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/hairpin1-78d9cb0a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hairpin1-78d9cb0a/inputs/seq.fa: 1
curr_seq: _CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/hairpin1-78d9cb0a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hairpin1-78d9cb0a/inputs/seq.fa: 1
curr_seq: _CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/hairpin1-78d9cb0a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hairpin1-78d9cb0a/inputs/seq.fa: 1
curr_seq: _CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/hairpin1-78d9cb0a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hairpin1-78d9cb0a/inputs/seq.fa: 1
curr_seq: _CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/hairpin1-78d9cb0a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hairpin1-78d9cb0a/inputs/seq.fa: 1
curr_seq: _CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/hairpin1-78d9cb0a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hairpin1-78d9cb0a/inputs/seq.fa: 1
curr_seq: _CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/hairpin1-78d9cb0a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hairpin1-78d9cb0a/inputs/seq.fa: 1
curr_seq: _CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/hairpin1-78d9cb0a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hairpin1-78d9cb0a/inputs/seq.fa: 1
curr_seq: _CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/hairpin1-78d9cb0a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hairpin1-78d9cb0a/inputs/seq.fa: 1
curr_seq: _CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/hairpin1-78d9cb0a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hairpin1-78d9cb0a/inputs/seq.fa: 1
curr_seq: _CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CGCGAUACUUACCUGCCCGAAAGGGCAGGUAAGUAUCGCG
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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: -157.230116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.230116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.230116 (E_RNA)
where:
Base-Base interactions energy: -1.185
where: short stacking energy: -1.185
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -157.230116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.230116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.230116 (E_RNA)
where:
Base-Base interactions energy: -1.185
where: short stacking energy: -1.185
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -157.230116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.230116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.230116 (E_RNA)
where:
Base-Base interactions energy: -1.185
where: short stacking energy: -1.185
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -157.230116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.230116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.230116 (E_RNA)
where:
Base-Base interactions energy: -1.185
where: short stacking energy: -1.185
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -157.230116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.230116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.230116 (E_RNA)
where:
Base-Base interactions energy: -1.185
where: short stacking energy: -1.185
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -157.230116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.230116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.230116 (E_RNA)
where:
Base-Base interactions energy: -1.185
where: short stacking energy: -1.185
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -157.230116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.230116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.230116 (E_RNA)
where:
Base-Base interactions energy: -1.185
where: short stacking energy: -1.185
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -157.230116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.230116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.230116 (E_RNA)
where:
Base-Base interactions energy: -1.185
where: short stacking energy: -1.185
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -157.230116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.230116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.230116 (E_RNA)
where:
Base-Base interactions energy: -1.185
where: short stacking energy: -1.185
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -157.230116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.230116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.230116 (E_RNA)
where:
Base-Base interactions energy: -1.185
where: short stacking energy: -1.185
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -245.728923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.728923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.728923 (E_RNA)
where:
Base-Base interactions energy: -108.873
where: short stacking energy: -105.345
Base-Backbone interact. energy: -0.039
local terms energy: -136.816631
where:
bonds (distance) C4'-P energy: -30.584
bonds (distance) P-C4' energy: -27.585
flat angles C4'-P-C4' energy: -28.322
flat angles P-C4'-P energy: -23.195
tors. eta vs tors. theta energy: -27.131
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -218.423419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.423419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.423419 (E_RNA)
where:
Base-Base interactions energy: -98.146
where: short stacking energy: -85.201
Base-Backbone interact. energy: -0.293
local terms energy: -119.984358
where:
bonds (distance) C4'-P energy: -27.366
bonds (distance) P-C4' energy: -28.150
flat angles C4'-P-C4' energy: -25.980
flat angles P-C4'-P energy: -16.514
tors. eta vs tors. theta energy: -21.974
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: 2
Temperature: 1.000000
Total energy: -222.956242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.956242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.956242 (E_RNA)
where:
Base-Base interactions energy: -105.398
where: short stacking energy: -94.295
Base-Backbone interact. energy: -0.115
local terms energy: -117.442967
where:
bonds (distance) C4'-P energy: -23.449
bonds (distance) P-C4' energy: -30.127
flat angles C4'-P-C4' energy: -27.575
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -183.595713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.595713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.595713 (E_RNA)
where:
Base-Base interactions energy: -80.904
where: short stacking energy: -74.497
Base-Backbone interact. energy: -0.252
local terms energy: -102.439239
where:
bonds (distance) C4'-P energy: -28.772
bonds (distance) P-C4' energy: -28.552
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -18.048
tors. eta vs tors. theta energy: -12.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -182.303006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.303006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.303006 (E_RNA)
where:
Base-Base interactions energy: -82.705
where: short stacking energy: -81.301
Base-Backbone interact. energy: 0.001
local terms energy: -99.599671
where:
bonds (distance) C4'-P energy: -22.028
bonds (distance) P-C4' energy: -23.108
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -18.455
tors. eta vs tors. theta energy: -17.322
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -167.769672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.769672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.769672 (E_RNA)
where:
Base-Base interactions energy: -71.504
where: short stacking energy: -70.520
Base-Backbone interact. energy: -0.157
local terms energy: -96.109393
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -27.348
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -10.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -156.214490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.214490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.214490 (E_RNA)
where:
Base-Base interactions energy: -1.185
where: short stacking energy: -1.185
Base-Backbone interact. energy: -0.000
local terms energy: -155.029915
where:
bonds (distance) C4'-P energy: -38.747
bonds (distance) P-C4' energy: -36.674
flat angles C4'-P-C4' energy: -28.784
flat angles P-C4'-P energy: -33.521
tors. eta vs tors. theta energy: -17.304
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -156.251732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.251732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.251732 (E_RNA)
where:
Base-Base interactions energy: -1.185
where: short stacking energy: -1.185
Base-Backbone interact. energy: -0.000
local terms energy: -155.067157
where:
bonds (distance) C4'-P energy: -38.747
bonds (distance) P-C4' energy: -36.674
flat angles C4'-P-C4' energy: -28.784
flat angles P-C4'-P energy: -33.558
tors. eta vs tors. theta energy: -17.304
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -156.251732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.251732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.251732 (E_RNA)
where:
Base-Base interactions energy: -1.185
where: short stacking energy: -1.185
Base-Backbone interact. energy: -0.000
local terms energy: -155.067157
where:
bonds (distance) C4'-P energy: -38.747
bonds (distance) P-C4' energy: -36.674
flat angles C4'-P-C4' energy: -28.784
flat angles P-C4'-P energy: -33.558
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -156.251732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.251732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.251732 (E_RNA)
where:
Base-Base interactions energy: -1.185
where: short stacking energy: -1.185
Base-Backbone interact. energy: -0.000
local terms energy: -155.067157
where:
bonds (distance) C4'-P energy: -38.747
bonds (distance) P-C4' energy: -36.674
flat angles C4'-P-C4' energy: -28.784
flat angles P-C4'-P energy: -33.558
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -246.750142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.750142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.750142 (E_RNA)
where:
Base-Base interactions energy: -108.569
where: short stacking energy: -101.524
Base-Backbone interact. energy: -0.186
local terms energy: -137.994427
where:
bonds (distance) C4'-P energy: -25.206
bonds (distance) P-C4' energy: -32.169
flat angles C4'-P-C4' energy: -29.002
flat angles P-C4'-P energy: -22.351
tors. eta vs tors. theta energy: -29.266
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: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -248.494068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.494068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.494068 (E_RNA)
where:
Base-Base interactions energy: -115.950
where: short stacking energy: -111.305
Base-Backbone interact. energy: -0.104
local terms energy: -132.439360
where:
bonds (distance) C4'-P energy: -30.356
bonds (distance) P-C4' energy: -26.232
flat angles C4'-P-C4' energy: -27.334
flat angles P-C4'-P energy: -18.209
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: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -236.867187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.867187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.867187 (E_RNA)
where:
Base-Base interactions energy: -121.422
where: short stacking energy: -92.084
Base-Backbone interact. energy: -0.840
local terms energy: -114.604658
where:
bonds (distance) C4'-P energy: -25.546
bonds (distance) P-C4' energy: -24.734
flat angles C4'-P-C4' energy: -22.770
flat angles P-C4'-P energy: -20.975
tors. eta vs tors. theta energy: -20.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -236.892780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.892780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.892780 (E_RNA)
where:
Base-Base interactions energy: -127.380
where: short stacking energy: -73.286
Base-Backbone interact. energy: -0.121
local terms energy: -109.391882
where:
bonds (distance) C4'-P energy: -22.815
bonds (distance) P-C4' energy: -27.396
flat angles C4'-P-C4' energy: -30.047
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -16.271
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: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -167.581228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.581228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.581228 (E_RNA)
where:
Base-Base interactions energy: -71.833
where: short stacking energy: -57.692
Base-Backbone interact. energy: -0.843
local terms energy: -94.905222
where:
bonds (distance) C4'-P energy: -20.250
bonds (distance) P-C4' energy: -25.317
flat angles C4'-P-C4' energy: -25.472
flat angles P-C4'-P energy: -21.577
tors. eta vs tors. theta energy: -2.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -230.324864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.324864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.324864 (E_RNA)
where:
Base-Base interactions energy: -150.822
where: short stacking energy: -68.133
Base-Backbone interact. energy: -0.520
local terms energy: -78.983427
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: -9.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -161.557613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.557613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.557613 (E_RNA)
where:
Base-Base interactions energy: -60.309
where: short stacking energy: -43.297
Base-Backbone interact. energy: -0.418
local terms energy: -100.830998
where:
bonds (distance) C4'-P energy: -24.842
bonds (distance) P-C4' energy: -26.822
flat angles C4'-P-C4' energy: -25.202
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -139.213101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.213101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.213101 (E_RNA)
where:
Base-Base interactions energy: -66.019
where: short stacking energy: -45.139
Base-Backbone interact. energy: -0.469
local terms energy: -72.724524
where:
bonds (distance) C4'-P energy: -27.057
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -20.696
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: 4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -144.854764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.854764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.854764 (E_RNA)
where:
Base-Base interactions energy: -56.578
where: short stacking energy: -56.578
Base-Backbone interact. energy: -0.048
local terms energy: -88.228489
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -25.524
flat angles C4'-P-C4' energy: -23.580
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -11.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -128.733551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.733551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.733551 (E_RNA)
where:
Base-Base interactions energy: -51.196
where: short stacking energy: -51.196
Base-Backbone interact. energy: -0.284
local terms energy: -77.253060
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -25.821
flat angles C4'-P-C4' energy: -25.367
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: 2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -238.215017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.215017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.215017 (E_RNA)
where:
Base-Base interactions energy: -106.187
where: short stacking energy: -101.730
Base-Backbone interact. energy: -1.269
local terms energy: -130.758631
where:
bonds (distance) C4'-P energy: -27.136
bonds (distance) P-C4' energy: -30.695
flat angles C4'-P-C4' energy: -30.667
flat angles P-C4'-P energy: -18.247
tors. eta vs tors. theta energy: -24.015
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: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -258.298492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.298492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.298492 (E_RNA)
where:
Base-Base interactions energy: -126.779
where: short stacking energy: -112.680
Base-Backbone interact. energy: -0.334
local terms energy: -131.185434
where:
bonds (distance) C4'-P energy: -30.084
bonds (distance) P-C4' energy: -28.882
flat angles C4'-P-C4' energy: -29.500
flat angles P-C4'-P energy: -18.042
tors. eta vs tors. theta energy: -24.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -283.352526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.352526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.352526 (E_RNA)
where:
Base-Base interactions energy: -167.088
where: short stacking energy: -105.022
Base-Backbone interact. energy: -0.017
local terms energy: -116.247285
where:
bonds (distance) C4'-P energy: -24.218
bonds (distance) P-C4' energy: -27.367
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -21.384
tors. eta vs tors. theta energy: -24.754
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: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -219.771743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.771743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.771743 (E_RNA)
where:
Base-Base interactions energy: -115.977
where: short stacking energy: -79.435
Base-Backbone interact. energy: -0.298
local terms energy: -103.496479
where:
bonds (distance) C4'-P energy: -23.827
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -21.723
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -20.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -252.394604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.394604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.394604 (E_RNA)
where:
Base-Base interactions energy: -149.639
where: short stacking energy: -75.585
Base-Backbone interact. energy: -0.361
local terms energy: -102.395203
where:
bonds (distance) C4'-P energy: -19.617
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -24.853
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -17.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -182.721490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.721490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.721490 (E_RNA)
where:
Base-Base interactions energy: -82.128
where: short stacking energy: -72.774
Base-Backbone interact. energy: -0.054
local terms energy: -100.538621
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -25.161
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -18.911
tors. eta vs tors. theta energy: -13.483
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: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -148.518219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.518219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.518219 (E_RNA)
where:
Base-Base interactions energy: -62.034
where: short stacking energy: -58.431
Base-Backbone interact. energy: -1.296
local terms energy: -85.188039
where:
bonds (distance) C4'-P energy: -23.491
bonds (distance) P-C4' energy: -26.694
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -162.636287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.636287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.636287 (E_RNA)
where:
Base-Base interactions energy: -67.963
where: short stacking energy: -59.268
Base-Backbone interact. energy: -0.594
local terms energy: -94.079312
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -28.871
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -7.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -137.150769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.150769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.150769 (E_RNA)
where:
Base-Base interactions energy: -48.846
where: short stacking energy: -49.082
Base-Backbone interact. energy: -0.924
local terms energy: -87.380867
where:
bonds (distance) C4'-P energy: -31.114
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -10.891
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: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -126.453944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.453944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.453944 (E_RNA)
where:
Base-Base interactions energy: -42.738
where: short stacking energy: -39.377
Base-Backbone interact. energy: -0.293
local terms energy: -83.422346
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -25.314
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -8.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -236.464802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.464802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.464802 (E_RNA)
where:
Base-Base interactions energy: -115.286
where: short stacking energy: -108.408
Base-Backbone interact. energy: -0.173
local terms energy: -121.005560
where:
bonds (distance) C4'-P energy: -24.939
bonds (distance) P-C4' energy: -28.438
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: -24.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -323.184253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.184253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.184253 (E_RNA)
where:
Base-Base interactions energy: -197.017
where: short stacking energy: -94.945
Base-Backbone interact. energy: -0.555
local terms energy: -125.612233
where:
bonds (distance) C4'-P energy: -29.631
bonds (distance) P-C4' energy: -30.641
flat angles C4'-P-C4' energy: -26.372
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -201.670528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.670528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.670528 (E_RNA)
where:
Base-Base interactions energy: -94.209
where: short stacking energy: -70.033
Base-Backbone interact. energy: 0.064
local terms energy: -107.525259
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -30.851
flat angles C4'-P-C4' energy: -28.872
flat angles P-C4'-P energy: -18.006
tors. eta vs tors. theta energy: -10.467
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: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -301.955446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.955446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.955446 (E_RNA)
where:
Base-Base interactions energy: -185.242
where: short stacking energy: -91.643
Base-Backbone interact. energy: -0.521
local terms energy: -116.192383
where:
bonds (distance) C4'-P energy: -26.340
bonds (distance) P-C4' energy: -23.482
flat angles C4'-P-C4' energy: -28.065
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -24.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -184.597236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.597236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.597236 (E_RNA)
where:
Base-Base interactions energy: -92.976
where: short stacking energy: -53.732
Base-Backbone interact. energy: -0.214
local terms energy: -91.406510
where:
bonds (distance) C4'-P energy: -24.081
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -25.065
flat angles P-C4'-P energy: -11.157
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: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -234.413242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.413242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.413242 (E_RNA)
where:
Base-Base interactions energy: -129.353
where: short stacking energy: -63.763
Base-Backbone interact. energy: -1.366
local terms energy: -103.694184
where:
bonds (distance) C4'-P energy: -23.208
bonds (distance) P-C4' energy: -24.290
flat angles C4'-P-C4' energy: -28.884
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: -11.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -157.606450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.606450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.606450 (E_RNA)
where:
Base-Base interactions energy: -59.136
where: short stacking energy: -53.415
Base-Backbone interact. energy: -0.578
local terms energy: -97.892220
where:
bonds (distance) C4'-P energy: -23.265
bonds (distance) P-C4' energy: -30.484
flat angles C4'-P-C4' energy: -25.362
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -3.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -147.310547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.310547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.310547 (E_RNA)
where:
Base-Base interactions energy: -58.248
where: short stacking energy: -49.332
Base-Backbone interact. energy: 0.467
local terms energy: -89.529053
where:
bonds (distance) C4'-P energy: -20.378
bonds (distance) P-C4' energy: -29.422
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -2.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -145.540536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.540536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.540536 (E_RNA)
where:
Base-Base interactions energy: -80.892
where: short stacking energy: -41.298
Base-Backbone interact. energy: -0.670
local terms energy: -63.979312
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: 4.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -134.918494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.918494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.918494 (E_RNA)
where:
Base-Base interactions energy: -40.584
where: short stacking energy: -40.584
Base-Backbone interact. energy: -0.303
local terms energy: -94.031522
where:
bonds (distance) C4'-P energy: -25.457
bonds (distance) P-C4' energy: -26.454
flat angles C4'-P-C4' energy: -23.718
flat angles P-C4'-P energy: -14.316
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: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -340.693859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.693859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.693859 (E_RNA)
where:
Base-Base interactions energy: -221.904
where: short stacking energy: -108.929
Base-Backbone interact. energy: -0.131
local terms energy: -118.659463
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -27.977
flat angles C4'-P-C4' energy: -26.440
flat angles P-C4'-P energy: -17.287
tors. eta vs tors. theta energy: -23.607
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: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -304.081003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.081003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.081003 (E_RNA)
where:
Base-Base interactions energy: -186.354
where: short stacking energy: -94.953
Base-Backbone interact. energy: -0.116
local terms energy: -117.611111
where:
bonds (distance) C4'-P energy: -28.047
bonds (distance) P-C4' energy: -26.184
flat angles C4'-P-C4' energy: -26.711
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -19.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -329.097518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.097518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.097518 (E_RNA)
where:
Base-Base interactions energy: -198.261
where: short stacking energy: -101.115
Base-Backbone interact. energy: -0.432
local terms energy: -130.405158
where:
bonds (distance) C4'-P energy: -25.407
bonds (distance) P-C4' energy: -28.096
flat angles C4'-P-C4' energy: -27.016
flat angles P-C4'-P energy: -21.995
tors. eta vs tors. theta energy: -27.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -187.044809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.044809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.044809 (E_RNA)
where:
Base-Base interactions energy: -80.420
where: short stacking energy: -70.742
Base-Backbone interact. energy: -0.249
local terms energy: -106.375803
where:
bonds (distance) C4'-P energy: -29.432
bonds (distance) P-C4' energy: -25.886
flat angles C4'-P-C4' energy: -26.726
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -9.664
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: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -258.662545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.662545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.662545 (E_RNA)
where:
Base-Base interactions energy: -154.964
where: short stacking energy: -95.510
Base-Backbone interact. energy: -0.639
local terms energy: -103.059951
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -22.891
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: -24.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -176.372703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.372703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.372703 (E_RNA)
where:
Base-Base interactions energy: -72.558
where: short stacking energy: -63.064
Base-Backbone interact. energy: -0.410
local terms energy: -103.404266
where:
bonds (distance) C4'-P energy: -26.587
bonds (distance) P-C4' energy: -31.095
flat angles C4'-P-C4' energy: -29.279
flat angles P-C4'-P energy: -13.518
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: 7, replica: 4
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -151.267216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.267216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.267216 (E_RNA)
where:
Base-Base interactions energy: -51.389
where: short stacking energy: -51.217
Base-Backbone interact. energy: -0.171
local terms energy: -99.707077
where:
bonds (distance) C4'-P energy: -28.428
bonds (distance) P-C4' energy: -25.561
flat angles C4'-P-C4' energy: -22.322
flat angles P-C4'-P energy: -14.727
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: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -165.445635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.445635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.445635 (E_RNA)
where:
Base-Base interactions energy: -73.155
where: short stacking energy: -55.342
Base-Backbone interact. energy: -0.203
local terms energy: -92.087552
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -14.558
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: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -161.856643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.856643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.856643 (E_RNA)
where:
Base-Base interactions energy: -74.104
where: short stacking energy: -47.367
Base-Backbone interact. energy: 1.729
local terms energy: -89.481343
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -33.781
flat angles C4'-P-C4' energy: -22.678
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: 1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -140.957804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.957804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.957804 (E_RNA)
where:
Base-Base interactions energy: -58.630
where: short stacking energy: -58.630
Base-Backbone interact. energy: -0.022
local terms energy: -82.305363
where:
bonds (distance) C4'-P energy: -25.868
bonds (distance) P-C4' energy: -20.013
flat angles C4'-P-C4' energy: -21.563
flat angles P-C4'-P energy: -3.170
tors. eta vs tors. theta energy: -11.691
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: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -333.253714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.253714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.253714 (E_RNA)
where:
Base-Base interactions energy: -200.913
where: short stacking energy: -105.326
Base-Backbone interact. energy: -0.573
local terms energy: -131.767813
where:
bonds (distance) C4'-P energy: -26.974
bonds (distance) P-C4' energy: -30.924
flat angles C4'-P-C4' energy: -31.706
flat angles P-C4'-P energy: -18.272
tors. eta vs tors. theta energy: -23.892
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: 7
Temperature: 0.950000
Total energy: -379.464215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.464215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.464215 (E_RNA)
where:
Base-Base interactions energy: -242.322
where: short stacking energy: -115.644
Base-Backbone interact. energy: 0.128
local terms energy: -137.270474
where:
bonds (distance) C4'-P energy: -25.856
bonds (distance) P-C4' energy: -30.157
flat angles C4'-P-C4' energy: -29.119
flat angles P-C4'-P energy: -20.106
tors. eta vs tors. theta energy: -32.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -338.443195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.443195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.443195 (E_RNA)
where:
Base-Base interactions energy: -208.795
where: short stacking energy: -104.396
Base-Backbone interact. energy: -1.245
local terms energy: -128.402767
where:
bonds (distance) C4'-P energy: -26.737
bonds (distance) P-C4' energy: -28.523
flat angles C4'-P-C4' energy: -27.215
flat angles P-C4'-P energy: -19.306
tors. eta vs tors. theta energy: -26.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -275.280605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.280605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.280605 (E_RNA)
where:
Base-Base interactions energy: -157.574
where: short stacking energy: -86.944
Base-Backbone interact. energy: -0.168
local terms energy: -117.538749
where:
bonds (distance) C4'-P energy: -27.058
bonds (distance) P-C4' energy: -27.849
flat angles C4'-P-C4' energy: -24.708
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: -18.398
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: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -194.457261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.457261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.457261 (E_RNA)
where:
Base-Base interactions energy: -77.069
where: short stacking energy: -76.804
Base-Backbone interact. energy: -0.272
local terms energy: -117.116750
where:
bonds (distance) C4'-P energy: -30.953
bonds (distance) P-C4' energy: -28.614
flat angles C4'-P-C4' energy: -25.937
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -166.057047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.057047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.057047 (E_RNA)
where:
Base-Base interactions energy: -68.066
where: short stacking energy: -63.638
Base-Backbone interact. energy: 1.381
local terms energy: -99.372751
where:
bonds (distance) C4'-P energy: -26.196
bonds (distance) P-C4' energy: -29.339
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -19.418
tors. eta vs tors. theta energy: -10.173
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: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -158.385785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.385785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.385785 (E_RNA)
where:
Base-Base interactions energy: -70.419
where: short stacking energy: -64.394
Base-Backbone interact. energy: 1.987
local terms energy: -89.952978
where:
bonds (distance) C4'-P energy: -20.235
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -24.337
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -145.678009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.678009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.678009 (E_RNA)
where:
Base-Base interactions energy: -55.863
where: short stacking energy: -47.915
Base-Backbone interact. energy: -1.152
local terms energy: -88.662988
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -25.375
flat angles C4'-P-C4' energy: -25.584
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -3.935
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: 7
Temperature: 1.300000
Total energy: -143.221719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.221719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.221719 (E_RNA)
where:
Base-Base interactions energy: -78.556
where: short stacking energy: -40.355
Base-Backbone interact. energy: 2.378
local terms energy: -67.043415
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -22.740
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: 3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -134.248855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.248855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.248855 (E_RNA)
where:
Base-Base interactions energy: -56.199
where: short stacking energy: -49.192
Base-Backbone interact. energy: 2.441
local terms energy: -80.490851
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -22.851
flat angles C4'-P-C4' energy: -22.664
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -394.517231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.517231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.517231 (E_RNA)
where:
Base-Base interactions energy: -266.974
where: short stacking energy: -102.089
Base-Backbone interact. energy: -1.062
local terms energy: -126.480964
where:
bonds (distance) C4'-P energy: -28.071
bonds (distance) P-C4' energy: -29.981
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -20.942
tors. eta vs tors. theta energy: -24.566
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: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -343.265272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.265272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.265272 (E_RNA)
where:
Base-Base interactions energy: -208.617
where: short stacking energy: -123.903
Base-Backbone interact. energy: -0.020
local terms energy: -134.628808
where:
bonds (distance) C4'-P energy: -25.875
bonds (distance) P-C4' energy: -24.917
flat angles C4'-P-C4' energy: -29.115
flat angles P-C4'-P energy: -18.861
tors. eta vs tors. theta energy: -35.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -365.341621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.341621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.341621 (E_RNA)
where:
Base-Base interactions energy: -226.141
where: short stacking energy: -119.040
Base-Backbone interact. energy: -1.330
local terms energy: -137.870634
where:
bonds (distance) C4'-P energy: -26.143
bonds (distance) P-C4' energy: -30.557
flat angles C4'-P-C4' energy: -25.377
flat angles P-C4'-P energy: -24.454
tors. eta vs tors. theta energy: -31.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -313.757242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.757242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.757242 (E_RNA)
where:
Base-Base interactions energy: -201.970
where: short stacking energy: -94.209
Base-Backbone interact. energy: -1.057
local terms energy: -110.730629
where:
bonds (distance) C4'-P energy: -26.505
bonds (distance) P-C4' energy: -22.303
flat angles C4'-P-C4' energy: -23.000
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -24.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -200.770955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.770955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.770955 (E_RNA)
where:
Base-Base interactions energy: -107.847
where: short stacking energy: -62.377
Base-Backbone interact. energy: -0.377
local terms energy: -92.546532
where:
bonds (distance) C4'-P energy: -21.686
bonds (distance) P-C4' energy: -26.807
flat angles C4'-P-C4' energy: -20.899
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -10.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -159.639133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.639133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.639133 (E_RNA)
where:
Base-Base interactions energy: -68.114
where: short stacking energy: -61.439
Base-Backbone interact. energy: 3.303
local terms energy: -94.827796
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -27.794
flat angles C4'-P-C4' energy: -23.590
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -8.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -145.924593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.924593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.924593 (E_RNA)
where:
Base-Base interactions energy: -64.822
where: short stacking energy: -36.657
Base-Backbone interact. energy: -0.822
local terms energy: -80.280421
where:
bonds (distance) C4'-P energy: -24.899
bonds (distance) P-C4' energy: -24.443
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -2.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -149.961395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.961395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.961395 (E_RNA)
where:
Base-Base interactions energy: -57.553
where: short stacking energy: -43.285
Base-Backbone interact. energy: 0.990
local terms energy: -93.398091
where:
bonds (distance) C4'-P energy: -24.722
bonds (distance) P-C4' energy: -26.073
flat angles C4'-P-C4' energy: -21.345
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -6.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -156.201322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.201322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.201322 (E_RNA)
where:
Base-Base interactions energy: -61.313
where: short stacking energy: -49.988
Base-Backbone interact. energy: -0.228
local terms energy: -94.661029
where:
bonds (distance) C4'-P energy: -27.861
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -25.201
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -9.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -135.494952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.494952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.494952 (E_RNA)
where:
Base-Base interactions energy: -62.451
where: short stacking energy: -48.116
Base-Backbone interact. energy: -0.197
local terms energy: -72.846732
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -28.847
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -0.730
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: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -399.928228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.928228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.928228 (E_RNA)
where:
Base-Base interactions energy: -264.618
where: short stacking energy: -113.336
Base-Backbone interact. energy: -0.585
local terms energy: -134.724624
where:
bonds (distance) C4'-P energy: -30.428
bonds (distance) P-C4' energy: -25.591
flat angles C4'-P-C4' energy: -27.593
flat angles P-C4'-P energy: -21.356
tors. eta vs tors. theta energy: -29.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -380.989113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.989113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.989113 (E_RNA)
where:
Base-Base interactions energy: -242.426
where: short stacking energy: -132.703
Base-Backbone interact. energy: -0.336
local terms energy: -138.227063
where:
bonds (distance) C4'-P energy: -24.209
bonds (distance) P-C4' energy: -25.215
flat angles C4'-P-C4' energy: -31.159
flat angles P-C4'-P energy: -22.105
tors. eta vs tors. theta energy: -35.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -348.460677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.460677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.460677 (E_RNA)
where:
Base-Base interactions energy: -222.271
where: short stacking energy: -124.798
Base-Backbone interact. energy: -0.024
local terms energy: -126.165469
where:
bonds (distance) C4'-P energy: -25.426
bonds (distance) P-C4' energy: -26.633
flat angles C4'-P-C4' energy: -24.013
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -35.633
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: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -326.385374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.385374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.385374 (E_RNA)
where:
Base-Base interactions energy: -206.919
where: short stacking energy: -97.531
Base-Backbone interact. energy: -0.329
local terms energy: -119.137182
where:
bonds (distance) C4'-P energy: -25.650
bonds (distance) P-C4' energy: -27.465
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -25.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -196.615752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.615752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.615752 (E_RNA)
where:
Base-Base interactions energy: -97.113
where: short stacking energy: -66.237
Base-Backbone interact. energy: -0.654
local terms energy: -98.848313
where:
bonds (distance) C4'-P energy: -27.949
bonds (distance) P-C4' energy: -22.811
flat angles C4'-P-C4' energy: -25.814
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -11.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -188.301357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.301357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.301357 (E_RNA)
where:
Base-Base interactions energy: -97.405
where: short stacking energy: -64.828
Base-Backbone interact. energy: -0.411
local terms energy: -90.485164
where:
bonds (distance) C4'-P energy: -24.977
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -26.052
flat angles P-C4'-P energy: -7.638
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: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -151.007397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.007397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.007397 (E_RNA)
where:
Base-Base interactions energy: -66.530
where: short stacking energy: -66.530
Base-Backbone interact. energy: -0.499
local terms energy: -83.978309
where:
bonds (distance) C4'-P energy: -22.267
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -23.903
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -5.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -150.823854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.823854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.823854 (E_RNA)
where:
Base-Base interactions energy: -58.993
where: short stacking energy: -51.797
Base-Backbone interact. energy: 1.318
local terms energy: -93.148096
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -25.115
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -16.392
tors. eta vs tors. theta energy: -9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -148.385094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.385094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.385094 (E_RNA)
where:
Base-Base interactions energy: -57.675
where: short stacking energy: -55.135
Base-Backbone interact. energy: -0.297
local terms energy: -90.413530
where:
bonds (distance) C4'-P energy: -23.571
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -8.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -137.280798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.280798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.280798 (E_RNA)
where:
Base-Base interactions energy: -50.824
where: short stacking energy: -43.372
Base-Backbone interact. energy: -0.643
local terms energy: -85.814297
where:
bonds (distance) C4'-P energy: -24.242
bonds (distance) P-C4' energy: -27.515
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -406.444300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.444300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.444300 (E_RNA)
where:
Base-Base interactions energy: -273.465
where: short stacking energy: -124.227
Base-Backbone interact. energy: -0.691
local terms energy: -132.287936
where:
bonds (distance) C4'-P energy: -28.396
bonds (distance) P-C4' energy: -25.065
flat angles C4'-P-C4' energy: -31.685
flat angles P-C4'-P energy: -22.860
tors. eta vs tors. theta energy: -24.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -365.311390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.311390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.311390 (E_RNA)
where:
Base-Base interactions energy: -234.616
where: short stacking energy: -118.834
Base-Backbone interact. energy: -0.601
local terms energy: -130.094648
where:
bonds (distance) C4'-P energy: -25.590
bonds (distance) P-C4' energy: -30.675
flat angles C4'-P-C4' energy: -32.535
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -26.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -349.852373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.852373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.852373 (E_RNA)
where:
Base-Base interactions energy: -222.848
where: short stacking energy: -99.931
Base-Backbone interact. energy: -0.180
local terms energy: -126.825212
where:
bonds (distance) C4'-P energy: -24.510
bonds (distance) P-C4' energy: -24.465
flat angles C4'-P-C4' energy: -25.473
flat angles P-C4'-P energy: -21.610
tors. eta vs tors. theta energy: -30.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -313.254241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.254241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.254241 (E_RNA)
where:
Base-Base interactions energy: -207.969
where: short stacking energy: -85.438
Base-Backbone interact. energy: -0.903
local terms energy: -104.382327
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -27.885
flat angles C4'-P-C4' energy: -22.650
flat angles P-C4'-P energy: -19.649
tors. eta vs tors. theta energy: -16.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -204.771536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.771536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.771536 (E_RNA)
where:
Base-Base interactions energy: -94.927
where: short stacking energy: -66.969
Base-Backbone interact. energy: -0.036
local terms energy: -109.808771
where:
bonds (distance) C4'-P energy: -23.867
bonds (distance) P-C4' energy: -29.466
flat angles C4'-P-C4' energy: -23.990
flat angles P-C4'-P energy: -17.409
tors. eta vs tors. theta energy: -15.077
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: 6, replica: 1
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -208.344457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.344457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.344457 (E_RNA)
where:
Base-Base interactions energy: -104.233
where: short stacking energy: -77.355
Base-Backbone interact. energy: -1.821
local terms energy: -102.290635
where:
bonds (distance) C4'-P energy: -21.131
bonds (distance) P-C4' energy: -22.760
flat angles C4'-P-C4' energy: -22.789
flat angles P-C4'-P energy: -22.519
tors. eta vs tors. theta energy: -13.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -167.749489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.749489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.749489 (E_RNA)
where:
Base-Base interactions energy: -72.460
where: short stacking energy: -61.374
Base-Backbone interact. energy: -0.460
local terms energy: -94.829679
where:
bonds (distance) C4'-P energy: -24.652
bonds (distance) P-C4' energy: -23.787
flat angles C4'-P-C4' energy: -23.518
flat angles P-C4'-P energy: -15.155
tors. eta vs tors. theta energy: -7.718
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: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -142.515053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.515053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.515053 (E_RNA)
where:
Base-Base interactions energy: -46.926
where: short stacking energy: -46.926
Base-Backbone interact. energy: -0.370
local terms energy: -95.218497
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -29.345
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -21.964
tors. eta vs tors. theta energy: -4.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -152.900264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.900264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.900264 (E_RNA)
where:
Base-Base interactions energy: -55.647
where: short stacking energy: -52.345
Base-Backbone interact. energy: -0.117
local terms energy: -97.136539
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -30.754
flat angles C4'-P-C4' energy: -21.198
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -11.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -125.103195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.103195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.103195 (E_RNA)
where:
Base-Base interactions energy: -52.035
where: short stacking energy: -42.519
Base-Backbone interact. energy: -0.341
local terms energy: -72.726735
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -19.959
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -406.381952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.381952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.381952 (E_RNA)
where:
Base-Base interactions energy: -273.479
where: short stacking energy: -118.075
Base-Backbone interact. energy: -0.166
local terms energy: -132.736739
where:
bonds (distance) C4'-P energy: -25.358
bonds (distance) P-C4' energy: -30.728
flat angles C4'-P-C4' energy: -32.825
flat angles P-C4'-P energy: -19.691
tors. eta vs tors. theta energy: -24.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -381.043680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.043680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.043680 (E_RNA)
where:
Base-Base interactions energy: -244.900
where: short stacking energy: -133.136
Base-Backbone interact. energy: 0.350
local terms energy: -136.493658
where:
bonds (distance) C4'-P energy: -25.539
bonds (distance) P-C4' energy: -26.716
flat angles C4'-P-C4' energy: -29.319
flat angles P-C4'-P energy: -16.267
tors. eta vs tors. theta energy: -38.653
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: 7
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -350.174730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.174730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.174730 (E_RNA)
where:
Base-Base interactions energy: -219.244
where: short stacking energy: -109.904
Base-Backbone interact. energy: -1.740
local terms energy: -129.190225
where:
bonds (distance) C4'-P energy: -29.296
bonds (distance) P-C4' energy: -29.136
flat angles C4'-P-C4' energy: -25.816
flat angles P-C4'-P energy: -17.359
tors. eta vs tors. theta energy: -27.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -332.841084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.841084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.841084 (E_RNA)
where:
Base-Base interactions energy: -223.601
where: short stacking energy: -108.207
Base-Backbone interact. energy: -0.948
local terms energy: -108.291859
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -23.542
flat angles P-C4'-P energy: -18.812
tors. eta vs tors. theta energy: -26.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -238.720186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.720186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.720186 (E_RNA)
where:
Base-Base interactions energy: -114.504
where: short stacking energy: -81.741
Base-Backbone interact. energy: -0.731
local terms energy: -123.485626
where:
bonds (distance) C4'-P energy: -25.068
bonds (distance) P-C4' energy: -29.637
flat angles C4'-P-C4' energy: -29.905
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -22.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -181.462650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.462650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.462650 (E_RNA)
where:
Base-Base interactions energy: -70.033
where: short stacking energy: -68.909
Base-Backbone interact. energy: 0.794
local terms energy: -112.223586
where:
bonds (distance) C4'-P energy: -26.247
bonds (distance) P-C4' energy: -28.508
flat angles C4'-P-C4' energy: -26.985
flat angles P-C4'-P energy: -17.414
tors. eta vs tors. theta energy: -13.068
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: 1
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -255.879598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.879598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.879598 (E_RNA)
where:
Base-Base interactions energy: -155.522
where: short stacking energy: -60.585
Base-Backbone interact. energy: -0.852
local terms energy: -99.505631
where:
bonds (distance) C4'-P energy: -25.139
bonds (distance) P-C4' energy: -32.085
flat angles C4'-P-C4' energy: -23.230
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -6.975
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: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -157.661063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.661063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.661063 (E_RNA)
where:
Base-Base interactions energy: -67.729
where: short stacking energy: -67.729
Base-Backbone interact. energy: -0.211
local terms energy: -89.720721
where:
bonds (distance) C4'-P energy: -19.832
bonds (distance) P-C4' energy: -25.334
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -12.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -134.527106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.527106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.527106 (E_RNA)
where:
Base-Base interactions energy: -52.369
where: short stacking energy: -48.300
Base-Backbone interact. energy: -0.366
local terms energy: -81.792162
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -16.199
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: 4
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -141.100392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.100392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.100392 (E_RNA)
where:
Base-Base interactions energy: -60.932
where: short stacking energy: -52.447
Base-Backbone interact. energy: -0.211
local terms energy: -79.956978
where:
bonds (distance) C4'-P energy: -20.829
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -20.271
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -409.309368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.309368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.309368 (E_RNA)
where:
Base-Base interactions energy: -276.879
where: short stacking energy: -113.999
Base-Backbone interact. energy: -0.003
local terms energy: -132.427327
where:
bonds (distance) C4'-P energy: -25.009
bonds (distance) P-C4' energy: -27.633
flat angles C4'-P-C4' energy: -30.207
flat angles P-C4'-P energy: -21.799
tors. eta vs tors. theta energy: -27.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -391.649652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.649652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.649652 (E_RNA)
where:
Base-Base interactions energy: -250.429
where: short stacking energy: -132.277
Base-Backbone interact. energy: -0.530
local terms energy: -140.690466
where:
bonds (distance) C4'-P energy: -25.939
bonds (distance) P-C4' energy: -27.730
flat angles C4'-P-C4' energy: -28.835
flat angles P-C4'-P energy: -19.726
tors. eta vs tors. theta energy: -38.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -349.960926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.960926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.960926 (E_RNA)
where:
Base-Base interactions energy: -217.439
where: short stacking energy: -107.808
Base-Backbone interact. energy: -0.169
local terms energy: -132.352830
where:
bonds (distance) C4'-P energy: -24.583
bonds (distance) P-C4' energy: -32.573
flat angles C4'-P-C4' energy: -30.159
flat angles P-C4'-P energy: -17.520
tors. eta vs tors. theta energy: -27.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -318.571626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.571626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.571626 (E_RNA)
where:
Base-Base interactions energy: -202.639
where: short stacking energy: -99.890
Base-Backbone interact. energy: -0.165
local terms energy: -115.767558
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -26.039
flat angles C4'-P-C4' energy: -27.223
flat angles P-C4'-P energy: -18.780
tors. eta vs tors. theta energy: -21.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -242.069232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.069232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.069232 (E_RNA)
where:
Base-Base interactions energy: -126.287
where: short stacking energy: -87.198
Base-Backbone interact. energy: -0.123
local terms energy: -115.659075
where:
bonds (distance) C4'-P energy: -24.062
bonds (distance) P-C4' energy: -28.497
flat angles C4'-P-C4' energy: -27.567
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -169.557595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.557595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.557595 (E_RNA)
where:
Base-Base interactions energy: -67.845
where: short stacking energy: -62.376
Base-Backbone interact. energy: -0.176
local terms energy: -101.536303
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -24.528
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -10.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -266.561180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.561180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.561180 (E_RNA)
where:
Base-Base interactions energy: -168.575
where: short stacking energy: -75.673
Base-Backbone interact. energy: 0.623
local terms energy: -98.609212
where:
bonds (distance) C4'-P energy: -30.240
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -22.763
flat angles P-C4'-P energy: -12.282
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: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -144.733922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.733922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.733922 (E_RNA)
where:
Base-Base interactions energy: -53.388
where: short stacking energy: -53.210
Base-Backbone interact. energy: -0.199
local terms energy: -91.146687
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -12.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -158.706003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.706003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.706003 (E_RNA)
where:
Base-Base interactions energy: -63.152
where: short stacking energy: -54.226
Base-Backbone interact. energy: -0.129
local terms energy: -95.424403
where:
bonds (distance) C4'-P energy: -27.552
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -20.591
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -14.435
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: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -128.498690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.498690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.498690 (E_RNA)
where:
Base-Base interactions energy: -48.231
where: short stacking energy: -48.960
Base-Backbone interact. energy: 1.716
local terms energy: -81.983955
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -24.544
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -406.986398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.986398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.986398 (E_RNA)
where:
Base-Base interactions energy: -287.217
where: short stacking energy: -116.521
Base-Backbone interact. energy: -1.458
local terms energy: -118.311431
where:
bonds (distance) C4'-P energy: -24.274
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -30.866
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -21.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -356.242308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.242308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.242308 (E_RNA)
where:
Base-Base interactions energy: -230.684
where: short stacking energy: -98.990
Base-Backbone interact. energy: -1.684
local terms energy: -123.874354
where:
bonds (distance) C4'-P energy: -24.330
bonds (distance) P-C4' energy: -30.666
flat angles C4'-P-C4' energy: -29.621
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -21.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -375.309910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.309910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.309910 (E_RNA)
where:
Base-Base interactions energy: -241.026
where: short stacking energy: -123.591
Base-Backbone interact. energy: -1.075
local terms energy: -133.209566
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -29.921
flat angles C4'-P-C4' energy: -30.664
flat angles P-C4'-P energy: -21.505
tors. eta vs tors. theta energy: -32.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -312.079291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.079291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.079291 (E_RNA)
where:
Base-Base interactions energy: -209.011
where: short stacking energy: -104.724
Base-Backbone interact. energy: 0.331
local terms energy: -103.399243
where:
bonds (distance) C4'-P energy: -21.633
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -18.939
tors. eta vs tors. theta energy: -21.064
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: 5, replica: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -277.435200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.435200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.435200 (E_RNA)
where:
Base-Base interactions energy: -146.529
where: short stacking energy: -85.103
Base-Backbone interact. energy: -1.776
local terms energy: -129.130102
where:
bonds (distance) C4'-P energy: -25.517
bonds (distance) P-C4' energy: -31.432
flat angles C4'-P-C4' energy: -29.303
flat angles P-C4'-P energy: -20.098
tors. eta vs tors. theta energy: -22.780
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: 1
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -301.343424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.343424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.343424 (E_RNA)
where:
Base-Base interactions energy: -191.753
where: short stacking energy: -82.287
Base-Backbone interact. energy: 0.388
local terms energy: -109.978719
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -26.414
flat angles C4'-P-C4' energy: -25.457
flat angles P-C4'-P energy: -20.307
tors. eta vs tors. theta energy: -19.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -147.807518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.807518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.807518 (E_RNA)
where:
Base-Base interactions energy: -59.015
where: short stacking energy: -46.234
Base-Backbone interact. energy: 0.359
local terms energy: -89.151501
where:
bonds (distance) C4'-P energy: -25.890
bonds (distance) P-C4' energy: -27.094
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -0.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -169.572609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.572609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.572609 (E_RNA)
where:
Base-Base interactions energy: -94.418
where: short stacking energy: -53.183
Base-Backbone interact. energy: -0.367
local terms energy: -74.787069
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -27.525
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: 5.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -141.144195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.144195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.144195 (E_RNA)
where:
Base-Base interactions energy: -49.390
where: short stacking energy: -48.243
Base-Backbone interact. energy: 0.799
local terms energy: -92.553879
where:
bonds (distance) C4'-P energy: -26.514
bonds (distance) P-C4' energy: -23.196
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -17.371
tors. eta vs tors. theta energy: -6.620
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: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -145.948816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.948816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.948816 (E_RNA)
where:
Base-Base interactions energy: -69.174
where: short stacking energy: -56.341
Base-Backbone interact. energy: -0.531
local terms energy: -76.244617
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -20.480
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: -1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -396.010874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.010874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.010874 (E_RNA)
where:
Base-Base interactions energy: -272.985
where: short stacking energy: -109.175
Base-Backbone interact. energy: 0.379
local terms energy: -123.404435
where:
bonds (distance) C4'-P energy: -26.656
bonds (distance) P-C4' energy: -25.789
flat angles C4'-P-C4' energy: -30.734
flat angles P-C4'-P energy: -17.960
tors. eta vs tors. theta energy: -22.265
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: 7
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -385.710639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.710639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.710639 (E_RNA)
where:
Base-Base interactions energy: -260.514
where: short stacking energy: -127.883
Base-Backbone interact. energy: -0.224
local terms energy: -124.972878
where:
bonds (distance) C4'-P energy: -25.091
bonds (distance) P-C4' energy: -26.389
flat angles C4'-P-C4' energy: -26.363
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -33.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -364.155448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.155448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.155448 (E_RNA)
where:
Base-Base interactions energy: -236.110
where: short stacking energy: -113.532
Base-Backbone interact. energy: -0.805
local terms energy: -127.239836
where:
bonds (distance) C4'-P energy: -24.448
bonds (distance) P-C4' energy: -26.645
flat angles C4'-P-C4' energy: -29.434
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -28.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -337.699752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.699752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.699752 (E_RNA)
where:
Base-Base interactions energy: -209.202
where: short stacking energy: -102.829
Base-Backbone interact. energy: -1.366
local terms energy: -127.130942
where:
bonds (distance) C4'-P energy: -32.187
bonds (distance) P-C4' energy: -24.854
flat angles C4'-P-C4' energy: -27.039
flat angles P-C4'-P energy: -19.741
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: 5, replica: 2
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -259.359990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.359990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.359990 (E_RNA)
where:
Base-Base interactions energy: -142.197
where: short stacking energy: -90.529
Base-Backbone interact. energy: -0.310
local terms energy: -116.852967
where:
bonds (distance) C4'-P energy: -28.107
bonds (distance) P-C4' energy: -27.931
flat angles C4'-P-C4' energy: -24.559
flat angles P-C4'-P energy: -15.569
tors. eta vs tors. theta energy: -20.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -317.776508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.776508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.776508 (E_RNA)
where:
Base-Base interactions energy: -202.921
where: short stacking energy: -90.449
Base-Backbone interact. energy: -0.346
local terms energy: -114.509618
where:
bonds (distance) C4'-P energy: -25.190
bonds (distance) P-C4' energy: -24.768
flat angles C4'-P-C4' energy: -26.994
flat angles P-C4'-P energy: -19.232
tors. eta vs tors. theta energy: -18.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -172.092707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.092707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.092707 (E_RNA)
where:
Base-Base interactions energy: -89.262
where: short stacking energy: -65.612
Base-Backbone interact. energy: -1.300
local terms energy: -81.530932
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -25.010
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -11.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -137.346075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.346075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.346075 (E_RNA)
where:
Base-Base interactions energy: -47.489
where: short stacking energy: -47.419
Base-Backbone interact. energy: -0.199
local terms energy: -89.657971
where:
bonds (distance) C4'-P energy: -22.366
bonds (distance) P-C4' energy: -25.709
flat angles C4'-P-C4' energy: -24.051
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -132.690903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.690903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.690903 (E_RNA)
where:
Base-Base interactions energy: -43.401
where: short stacking energy: -41.953
Base-Backbone interact. energy: -0.796
local terms energy: -88.493725
where:
bonds (distance) C4'-P energy: -21.062
bonds (distance) P-C4' energy: -27.156
flat angles C4'-P-C4' energy: -23.617
flat angles P-C4'-P energy: -18.060
tors. eta vs tors. theta energy: 1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -132.957298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.957298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.957298 (E_RNA)
where:
Base-Base interactions energy: -49.650
where: short stacking energy: -42.244
Base-Backbone interact. energy: 0.030
local terms energy: -83.337071
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -25.198
flat angles C4'-P-C4' energy: -29.923
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: 5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -385.098234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.098234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.098234 (E_RNA)
where:
Base-Base interactions energy: -263.114
where: short stacking energy: -104.642
Base-Backbone interact. energy: 0.546
local terms energy: -122.529784
where:
bonds (distance) C4'-P energy: -22.413
bonds (distance) P-C4' energy: -28.667
flat angles C4'-P-C4' energy: -32.029
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -23.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -395.199006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.199006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.199006 (E_RNA)
where:
Base-Base interactions energy: -266.185
where: short stacking energy: -126.758
Base-Backbone interact. energy: -1.553
local terms energy: -127.461349
where:
bonds (distance) C4'-P energy: -24.902
bonds (distance) P-C4' energy: -25.078
flat angles C4'-P-C4' energy: -24.962
flat angles P-C4'-P energy: -20.682
tors. eta vs tors. theta energy: -31.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -361.845770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.845770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.845770 (E_RNA)
where:
Base-Base interactions energy: -231.171
where: short stacking energy: -118.740
Base-Backbone interact. energy: -0.249
local terms energy: -130.424933
where:
bonds (distance) C4'-P energy: -24.950
bonds (distance) P-C4' energy: -27.512
flat angles C4'-P-C4' energy: -24.400
flat angles P-C4'-P energy: -19.453
tors. eta vs tors. theta energy: -34.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -331.196254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.196254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.196254 (E_RNA)
where:
Base-Base interactions energy: -214.609
where: short stacking energy: -101.558
Base-Backbone interact. energy: 2.879
local terms energy: -119.466285
where:
bonds (distance) C4'-P energy: -21.240
bonds (distance) P-C4' energy: -29.889
flat angles C4'-P-C4' energy: -28.506
flat angles P-C4'-P energy: -19.845
tors. eta vs tors. theta energy: -19.986
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: 2
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -254.110605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.110605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.110605 (E_RNA)
where:
Base-Base interactions energy: -136.695
where: short stacking energy: -98.552
Base-Backbone interact. energy: -1.320
local terms energy: -116.095757
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -24.571
flat angles C4'-P-C4' energy: -23.173
flat angles P-C4'-P energy: -16.992
tors. eta vs tors. theta energy: -30.085
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: 1
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -338.871380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.871380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.871380 (E_RNA)
where:
Base-Base interactions energy: -234.011
where: short stacking energy: -102.250
Base-Backbone interact. energy: -0.587
local terms energy: -104.273175
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -26.189
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -20.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -165.314767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.314767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.314767 (E_RNA)
where:
Base-Base interactions energy: -77.755
where: short stacking energy: -51.484
Base-Backbone interact. energy: -0.264
local terms energy: -87.296213
where:
bonds (distance) C4'-P energy: -26.303
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -23.917
flat angles P-C4'-P energy: -9.364
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: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -156.089166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.089166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.089166 (E_RNA)
where:
Base-Base interactions energy: -67.894
where: short stacking energy: -45.943
Base-Backbone interact. energy: 3.420
local terms energy: -91.616009
where:
bonds (distance) C4'-P energy: -28.238
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -21.727
tors. eta vs tors. theta energy: -2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -138.927847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.927847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.927847 (E_RNA)
where:
Base-Base interactions energy: -59.559
where: short stacking energy: -27.278
Base-Backbone interact. energy: -0.710
local terms energy: -78.658826
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -25.056
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: 3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -187.678254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.678254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.678254 (E_RNA)
where:
Base-Base interactions energy: -94.065
where: short stacking energy: -44.049
Base-Backbone interact. energy: -0.911
local terms energy: -92.702850
where:
bonds (distance) C4'-P energy: -24.010
bonds (distance) P-C4' energy: -25.637
flat angles C4'-P-C4' energy: -25.346
flat angles P-C4'-P energy: -12.453
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: 16
Temperature: 0.900000
Total energy: -408.662290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.662290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.662290 (E_RNA)
where:
Base-Base interactions energy: -266.730
where: short stacking energy: -123.951
Base-Backbone interact. energy: -1.310
local terms energy: -140.622467
where:
bonds (distance) C4'-P energy: -28.733
bonds (distance) P-C4' energy: -26.764
flat angles C4'-P-C4' energy: -27.056
flat angles P-C4'-P energy: -20.925
tors. eta vs tors. theta energy: -37.145
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: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -380.231118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.231118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.231118 (E_RNA)
where:
Base-Base interactions energy: -249.921
where: short stacking energy: -116.376
Base-Backbone interact. energy: -0.214
local terms energy: -130.096497
where:
bonds (distance) C4'-P energy: -28.038
bonds (distance) P-C4' energy: -29.639
flat angles C4'-P-C4' energy: -25.281
flat angles P-C4'-P energy: -15.858
tors. eta vs tors. theta energy: -31.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -383.244643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.244643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.244643 (E_RNA)
where:
Base-Base interactions energy: -258.809
where: short stacking energy: -134.993
Base-Backbone interact. energy: -0.017
local terms energy: -124.418468
where:
bonds (distance) C4'-P energy: -22.730
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -28.403
flat angles P-C4'-P energy: -20.455
tors. eta vs tors. theta energy: -37.473
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: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -343.763119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.763119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.763119 (E_RNA)
where:
Base-Base interactions energy: -233.363
where: short stacking energy: -104.535
Base-Backbone interact. energy: 4.035
local terms energy: -114.434958
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -23.329
flat angles C4'-P-C4' energy: -29.158
flat angles P-C4'-P energy: -19.630
tors. eta vs tors. theta energy: -24.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -339.143977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.143977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.143977 (E_RNA)
where:
Base-Base interactions energy: -222.572
where: short stacking energy: -93.113
Base-Backbone interact. energy: -0.446
local terms energy: -116.125724
where:
bonds (distance) C4'-P energy: -21.957
bonds (distance) P-C4' energy: -29.784
flat angles C4'-P-C4' energy: -24.851
flat angles P-C4'-P energy: -19.915
tors. eta vs tors. theta energy: -19.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -243.177025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.177025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.177025 (E_RNA)
where:
Base-Base interactions energy: -137.495
where: short stacking energy: -84.804
Base-Backbone interact. energy: -0.885
local terms energy: -104.796535
where:
bonds (distance) C4'-P energy: -23.877
bonds (distance) P-C4' energy: -29.644
flat angles C4'-P-C4' energy: -26.039
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -15.258
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: 16
Temperature: 1.200000
Total energy: -181.207434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.207434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.207434 (E_RNA)
where:
Base-Base interactions energy: -82.289
where: short stacking energy: -53.822
Base-Backbone interact. energy: -0.485
local terms energy: -98.434176
where:
bonds (distance) C4'-P energy: -22.610
bonds (distance) P-C4' energy: -29.018
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -150.946091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.946091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.946091 (E_RNA)
where:
Base-Base interactions energy: -71.185
where: short stacking energy: -48.752
Base-Backbone interact. energy: -0.981
local terms energy: -78.780628
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -25.638
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -0.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -248.493310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.493310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.493310 (E_RNA)
where:
Base-Base interactions energy: -163.893
where: short stacking energy: -70.348
Base-Backbone interact. energy: -1.351
local terms energy: -83.249316
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -24.618
flat angles C4'-P-C4' energy: -22.851
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: -8.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -144.637157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.637157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.637157 (E_RNA)
where:
Base-Base interactions energy: -57.146
where: short stacking energy: -47.465
Base-Backbone interact. energy: -0.156
local terms energy: -87.335455
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -23.950
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -4.643
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: 7
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -443.457186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.457186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.457186 (E_RNA)
where:
Base-Base interactions energy: -297.817
where: short stacking energy: -128.443
Base-Backbone interact. energy: -0.575
local terms energy: -145.064657
where:
bonds (distance) C4'-P energy: -30.668
bonds (distance) P-C4' energy: -31.816
flat angles C4'-P-C4' energy: -28.328
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -41.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -386.707301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.707301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.707301 (E_RNA)
where:
Base-Base interactions energy: -266.793
where: short stacking energy: -113.698
Base-Backbone interact. energy: 1.932
local terms energy: -121.845524
where:
bonds (distance) C4'-P energy: -24.350
bonds (distance) P-C4' energy: -23.485
flat angles C4'-P-C4' energy: -27.028
flat angles P-C4'-P energy: -20.987
tors. eta vs tors. theta energy: -25.996
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: 17
Temperature: 1.000000
Total energy: -377.333855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.333855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.333855 (E_RNA)
where:
Base-Base interactions energy: -240.834
where: short stacking energy: -124.007
Base-Backbone interact. energy: -0.110
local terms energy: -136.390239
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -29.080
flat angles C4'-P-C4' energy: -28.469
flat angles P-C4'-P energy: -16.868
tors. eta vs tors. theta energy: -36.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -361.251810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.251810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.251810 (E_RNA)
where:
Base-Base interactions energy: -235.049
where: short stacking energy: -107.749
Base-Backbone interact. energy: 0.283
local terms energy: -126.486010
where:
bonds (distance) C4'-P energy: -23.461
bonds (distance) P-C4' energy: -28.647
flat angles C4'-P-C4' energy: -25.818
flat angles P-C4'-P energy: -19.927
tors. eta vs tors. theta energy: -28.633
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: 17
Temperature: 1.100000
Total energy: -319.303935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.303935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.303935 (E_RNA)
where:
Base-Base interactions energy: -204.911
where: short stacking energy: -99.547
Base-Backbone interact. energy: -0.425
local terms energy: -113.968703
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -29.356
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -216.898181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.898181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.898181 (E_RNA)
where:
Base-Base interactions energy: -113.447
where: short stacking energy: -76.074
Base-Backbone interact. energy: -0.246
local terms energy: -103.204324
where:
bonds (distance) C4'-P energy: -23.634
bonds (distance) P-C4' energy: -29.013
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -13.153
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: 7, replica: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -192.568113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.568113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.568113 (E_RNA)
where:
Base-Base interactions energy: -89.838
where: short stacking energy: -56.101
Base-Backbone interact. energy: -0.328
local terms energy: -102.401743
where:
bonds (distance) C4'-P energy: -20.254
bonds (distance) P-C4' energy: -29.094
flat angles C4'-P-C4' energy: -29.622
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -12.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -300.690735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.690735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.690735 (E_RNA)
where:
Base-Base interactions energy: -190.061
where: short stacking energy: -84.443
Base-Backbone interact. energy: -0.750
local terms energy: -109.880011
where:
bonds (distance) C4'-P energy: -25.538
bonds (distance) P-C4' energy: -25.072
flat angles C4'-P-C4' energy: -29.546
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -146.735265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.735265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.735265 (E_RNA)
where:
Base-Base interactions energy: -64.064
where: short stacking energy: -40.218
Base-Backbone interact. energy: -0.737
local terms energy: -81.933922
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -16.144
tors. eta vs tors. theta energy: -2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -133.020048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.020048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.020048 (E_RNA)
where:
Base-Base interactions energy: -46.812
where: short stacking energy: -42.274
Base-Backbone interact. energy: -0.288
local terms energy: -85.920269
where:
bonds (distance) C4'-P energy: -22.217
bonds (distance) P-C4' energy: -27.300
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -14.910
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: 7
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -443.536369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.536369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.536369 (E_RNA)
where:
Base-Base interactions energy: -302.949
where: short stacking energy: -132.664
Base-Backbone interact. energy: -0.167
local terms energy: -140.419632
where:
bonds (distance) C4'-P energy: -27.839
bonds (distance) P-C4' energy: -27.213
flat angles C4'-P-C4' energy: -26.221
flat angles P-C4'-P energy: -20.834
tors. eta vs tors. theta energy: -38.312
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: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -390.755775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.755775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.755775 (E_RNA)
where:
Base-Base interactions energy: -263.299
where: short stacking energy: -109.440
Base-Backbone interact. energy: 0.074
local terms energy: -127.530963
where:
bonds (distance) C4'-P energy: -24.512
bonds (distance) P-C4' energy: -27.579
flat angles C4'-P-C4' energy: -31.385
flat angles P-C4'-P energy: -19.263
tors. eta vs tors. theta energy: -24.792
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: 3, replica: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -369.369997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.369997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.369997 (E_RNA)
where:
Base-Base interactions energy: -243.002
where: short stacking energy: -118.062
Base-Backbone interact. energy: -0.262
local terms energy: -126.106934
where:
bonds (distance) C4'-P energy: -31.256
bonds (distance) P-C4' energy: -25.541
flat angles C4'-P-C4' energy: -28.030
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -24.345
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: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -366.946659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.946659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.946659 (E_RNA)
where:
Base-Base interactions energy: -221.135
where: short stacking energy: -107.658
Base-Backbone interact. energy: 0.705
local terms energy: -146.515890
where:
bonds (distance) C4'-P energy: -28.848
bonds (distance) P-C4' energy: -30.482
flat angles C4'-P-C4' energy: -29.531
flat angles P-C4'-P energy: -23.751
tors. eta vs tors. theta energy: -33.903
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: 6
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -308.409182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.409182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.409182 (E_RNA)
where:
Base-Base interactions energy: -204.245
where: short stacking energy: -85.395
Base-Backbone interact. energy: -0.822
local terms energy: -103.342153
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -29.474
flat angles C4'-P-C4' energy: -23.346
flat angles P-C4'-P energy: -17.810
tors. eta vs tors. theta energy: -11.982
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: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -248.573335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.573335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.573335 (E_RNA)
where:
Base-Base interactions energy: -146.027
where: short stacking energy: -91.324
Base-Backbone interact. energy: -0.060
local terms energy: -102.486399
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -26.304
flat angles C4'-P-C4' energy: -23.000
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -18.369
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: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -324.011462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.011462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.011462 (E_RNA)
where:
Base-Base interactions energy: -219.839
where: short stacking energy: -107.754
Base-Backbone interact. energy: -0.489
local terms energy: -103.682672
where:
bonds (distance) C4'-P energy: -22.118
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -21.809
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -21.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -145.863080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.863080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.863080 (E_RNA)
where:
Base-Base interactions energy: -63.542
where: short stacking energy: -43.494
Base-Backbone interact. energy: -0.792
local terms energy: -81.528978
where:
bonds (distance) C4'-P energy: -24.259
bonds (distance) P-C4' energy: -25.497
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -11.409
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: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -141.528870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.528870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.528870 (E_RNA)
where:
Base-Base interactions energy: -60.216
where: short stacking energy: -46.125
Base-Backbone interact. energy: -0.155
local terms energy: -81.158307
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -22.090
flat angles C4'-P-C4' energy: -24.685
flat angles P-C4'-P energy: -14.435
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: 4
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -127.995126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.995126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.995126 (E_RNA)
where:
Base-Base interactions energy: -58.449
where: short stacking energy: -36.458
Base-Backbone interact. energy: 1.887
local terms energy: -71.433006
where:
bonds (distance) C4'-P energy: -21.422
bonds (distance) P-C4' energy: -24.559
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -6.695
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: 7
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -493.500786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.500786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.500786 (E_RNA)
where:
Base-Base interactions energy: -347.843
where: short stacking energy: -146.470
Base-Backbone interact. energy: 0.804
local terms energy: -146.461048
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -26.997
flat angles C4'-P-C4' energy: -29.147
flat angles P-C4'-P energy: -23.210
tors. eta vs tors. theta energy: -44.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -384.710666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.710666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.710666 (E_RNA)
where:
Base-Base interactions energy: -258.811
where: short stacking energy: -120.495
Base-Backbone interact. energy: -0.162
local terms energy: -125.738467
where:
bonds (distance) C4'-P energy: -26.041
bonds (distance) P-C4' energy: -26.925
flat angles C4'-P-C4' energy: -31.952
flat angles P-C4'-P energy: -17.116
tors. eta vs tors. theta energy: -23.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -350.235530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.235530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.235530 (E_RNA)
where:
Base-Base interactions energy: -217.990
where: short stacking energy: -104.582
Base-Backbone interact. energy: -0.592
local terms energy: -131.654130
where:
bonds (distance) C4'-P energy: -28.109
bonds (distance) P-C4' energy: -31.606
flat angles C4'-P-C4' energy: -28.352
flat angles P-C4'-P energy: -16.382
tors. eta vs tors. theta energy: -27.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -352.228030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.228030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.228030 (E_RNA)
where:
Base-Base interactions energy: -226.513
where: short stacking energy: -106.738
Base-Backbone interact. energy: 0.481
local terms energy: -126.196134
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -29.246
flat angles C4'-P-C4' energy: -29.545
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: -28.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -311.923984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.923984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.923984 (E_RNA)
where:
Base-Base interactions energy: -199.350
where: short stacking energy: -101.426
Base-Backbone interact. energy: -0.162
local terms energy: -112.412887
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -25.732
flat angles C4'-P-C4' energy: -26.438
flat angles P-C4'-P energy: -19.526
tors. eta vs tors. theta energy: -19.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -336.454583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.454583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.454583 (E_RNA)
where:
Base-Base interactions energy: -222.530
where: short stacking energy: -103.887
Base-Backbone interact. energy: -1.293
local terms energy: -112.631660
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -24.360
flat angles C4'-P-C4' energy: -29.719
flat angles P-C4'-P energy: -18.158
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -222.768134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.768134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.768134 (E_RNA)
where:
Base-Base interactions energy: -121.134
where: short stacking energy: -66.611
Base-Backbone interact. energy: 0.187
local terms energy: -101.821224
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -27.172
flat angles C4'-P-C4' energy: -23.396
flat angles P-C4'-P energy: -17.738
tors. eta vs tors. theta energy: -11.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -150.065977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.065977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.065977 (E_RNA)
where:
Base-Base interactions energy: -62.642
where: short stacking energy: -58.425
Base-Backbone interact. energy: -0.943
local terms energy: -86.480888
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -26.355
flat angles C4'-P-C4' energy: -20.776
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -9.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -135.638728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.638728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.638728 (E_RNA)
where:
Base-Base interactions energy: -56.969
where: short stacking energy: -50.966
Base-Backbone interact. energy: -0.475
local terms energy: -78.195133
where:
bonds (distance) C4'-P energy: -25.820
bonds (distance) P-C4' energy: -28.304
flat angles C4'-P-C4' energy: -8.504
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -5.038
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: 4
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -137.125033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.125033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.125033 (E_RNA)
where:
Base-Base interactions energy: -55.682
where: short stacking energy: -32.704
Base-Backbone interact. energy: -0.262
local terms energy: -81.181375
where:
bonds (distance) C4'-P energy: -30.649
bonds (distance) P-C4' energy: -26.274
flat angles C4'-P-C4' energy: -21.398
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: 5.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -548.681133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.681133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.681133 (E_RNA)
where:
Base-Base interactions energy: -394.096
where: short stacking energy: -149.953
Base-Backbone interact. energy: -0.000
local terms energy: -154.584931
where:
bonds (distance) C4'-P energy: -24.988
bonds (distance) P-C4' energy: -29.260
flat angles C4'-P-C4' energy: -27.977
flat angles P-C4'-P energy: -25.332
tors. eta vs tors. theta energy: -47.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -374.136489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.136489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.136489 (E_RNA)
where:
Base-Base interactions energy: -249.180
where: short stacking energy: -109.884
Base-Backbone interact. energy: -0.597
local terms energy: -124.359161
where:
bonds (distance) C4'-P energy: -26.463
bonds (distance) P-C4' energy: -29.483
flat angles C4'-P-C4' energy: -28.729
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -27.315
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: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -381.937403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.937403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.937403 (E_RNA)
where:
Base-Base interactions energy: -251.507
where: short stacking energy: -134.110
Base-Backbone interact. energy: -0.193
local terms energy: -130.237855
where:
bonds (distance) C4'-P energy: -27.008
bonds (distance) P-C4' energy: -20.279
flat angles C4'-P-C4' energy: -27.430
flat angles P-C4'-P energy: -19.558
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: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -364.166472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.166472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.166472 (E_RNA)
where:
Base-Base interactions energy: -246.625
where: short stacking energy: -119.349
Base-Backbone interact. energy: 1.103
local terms energy: -118.644388
where:
bonds (distance) C4'-P energy: -21.323
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -28.497
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -28.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -369.975310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.975310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.975310 (E_RNA)
where:
Base-Base interactions energy: -250.215
where: short stacking energy: -115.640
Base-Backbone interact. energy: -0.124
local terms energy: -119.635994
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -28.756
flat angles P-C4'-P energy: -17.360
tors. eta vs tors. theta energy: -29.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -297.997630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.997630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.997630 (E_RNA)
where:
Base-Base interactions energy: -205.644
where: short stacking energy: -85.879
Base-Backbone interact. energy: -0.371
local terms energy: -91.983140
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -25.671
flat angles P-C4'-P energy: -17.470
tors. eta vs tors. theta energy: -12.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -228.204932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.204932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.204932 (E_RNA)
where:
Base-Base interactions energy: -121.862
where: short stacking energy: -68.685
Base-Backbone interact. energy: 0.311
local terms energy: -106.653883
where:
bonds (distance) C4'-P energy: -24.448
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -19.726
tors. eta vs tors. theta energy: -18.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -162.081265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.081265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.081265 (E_RNA)
where:
Base-Base interactions energy: -79.573
where: short stacking energy: -59.447
Base-Backbone interact. energy: -0.700
local terms energy: -81.808359
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -24.355
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -16.401
tors. eta vs tors. theta energy: -7.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -151.137617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.137617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.137617 (E_RNA)
where:
Base-Base interactions energy: -73.028
where: short stacking energy: -35.652
Base-Backbone interact. energy: -0.158
local terms energy: -77.951676
where:
bonds (distance) C4'-P energy: -24.837
bonds (distance) P-C4' energy: -23.603
flat angles C4'-P-C4' energy: -22.035
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: 3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -126.254356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.254356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.254356 (E_RNA)
where:
Base-Base interactions energy: -42.543
where: short stacking energy: -30.183
Base-Backbone interact. energy: -1.476
local terms energy: -82.235548
where:
bonds (distance) C4'-P energy: -24.818
bonds (distance) P-C4' energy: -28.247
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: 3.225
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: 7
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -565.996251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.996251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.996251 (E_RNA)
where:
Base-Base interactions energy: -406.311
where: short stacking energy: -160.090
Base-Backbone interact. energy: -1.690
local terms energy: -157.995530
where:
bonds (distance) C4'-P energy: -26.871
bonds (distance) P-C4' energy: -28.032
flat angles C4'-P-C4' energy: -31.106
flat angles P-C4'-P energy: -25.129
tors. eta vs tors. theta energy: -46.857
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: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -380.741395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.741395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.741395 (E_RNA)
where:
Base-Base interactions energy: -243.400
where: short stacking energy: -124.258
Base-Backbone interact. energy: -0.730
local terms energy: -136.610577
where:
bonds (distance) C4'-P energy: -26.405
bonds (distance) P-C4' energy: -27.807
flat angles C4'-P-C4' energy: -28.852
flat angles P-C4'-P energy: -21.537
tors. eta vs tors. theta energy: -32.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -380.834545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.834545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.834545 (E_RNA)
where:
Base-Base interactions energy: -259.754
where: short stacking energy: -107.302
Base-Backbone interact. energy: -0.627
local terms energy: -120.453493
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -22.049
flat angles C4'-P-C4' energy: -27.724
flat angles P-C4'-P energy: -18.969
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: 4, replica: 8
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -372.769527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.769527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.769527 (E_RNA)
where:
Base-Base interactions energy: -243.235
where: short stacking energy: -107.032
Base-Backbone interact. energy: -0.554
local terms energy: -128.980503
where:
bonds (distance) C4'-P energy: -28.831
bonds (distance) P-C4' energy: -27.064
flat angles C4'-P-C4' energy: -26.993
flat angles P-C4'-P energy: -21.641
tors. eta vs tors. theta energy: -24.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -372.257985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.257985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.257985 (E_RNA)
where:
Base-Base interactions energy: -245.752
where: short stacking energy: -111.503
Base-Backbone interact. energy: -0.665
local terms energy: -125.841015
where:
bonds (distance) C4'-P energy: -23.414
bonds (distance) P-C4' energy: -24.451
flat angles C4'-P-C4' energy: -27.123
flat angles P-C4'-P energy: -16.009
tors. eta vs tors. theta energy: -34.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -221.063707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.063707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.063707 (E_RNA)
where:
Base-Base interactions energy: -117.796
where: short stacking energy: -79.490
Base-Backbone interact. energy: -0.187
local terms energy: -103.080143
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -29.226
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -17.900
tors. eta vs tors. theta energy: -13.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -277.430847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.430847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.430847 (E_RNA)
where:
Base-Base interactions energy: -176.966
where: short stacking energy: -84.916
Base-Backbone interact. energy: 0.378
local terms energy: -100.843462
where:
bonds (distance) C4'-P energy: -27.859
bonds (distance) P-C4' energy: -25.289
flat angles C4'-P-C4' energy: -22.110
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -9.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -147.391773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.391773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.391773 (E_RNA)
where:
Base-Base interactions energy: -54.219
where: short stacking energy: -51.683
Base-Backbone interact. energy: 0.017
local terms energy: -93.189684
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -29.266
flat angles C4'-P-C4' energy: -25.786
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -2.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -141.585518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.585518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.585518 (E_RNA)
where:
Base-Base interactions energy: -60.523
where: short stacking energy: -45.024
Base-Backbone interact. energy: 3.464
local terms energy: -84.526695
where:
bonds (distance) C4'-P energy: -25.228
bonds (distance) P-C4' energy: -27.522
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -2.967
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: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -120.799746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.799746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.799746 (E_RNA)
where:
Base-Base interactions energy: -40.267
where: short stacking energy: -39.454
Base-Backbone interact. energy: 0.373
local terms energy: -80.905747
where:
bonds (distance) C4'-P energy: -30.365
bonds (distance) P-C4' energy: -26.967
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: 7.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -568.170117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.170117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.170117 (E_RNA)
where:
Base-Base interactions energy: -407.356
where: short stacking energy: -160.016
Base-Backbone interact. energy: -0.635
local terms energy: -160.178461
where:
bonds (distance) C4'-P energy: -28.713
bonds (distance) P-C4' energy: -27.991
flat angles C4'-P-C4' energy: -32.006
flat angles P-C4'-P energy: -24.105
tors. eta vs tors. theta energy: -47.362
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: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -369.683833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.683833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.683833 (E_RNA)
where:
Base-Base interactions energy: -242.560
where: short stacking energy: -112.994
Base-Backbone interact. energy: -1.311
local terms energy: -125.813551
where:
bonds (distance) C4'-P energy: -32.190
bonds (distance) P-C4' energy: -27.801
flat angles C4'-P-C4' energy: -27.244
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -23.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -434.295898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.295898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.295898 (E_RNA)
where:
Base-Base interactions energy: -287.255
where: short stacking energy: -138.839
Base-Backbone interact. energy: -0.751
local terms energy: -146.290567
where:
bonds (distance) C4'-P energy: -28.401
bonds (distance) P-C4' energy: -31.916
flat angles C4'-P-C4' energy: -28.965
flat angles P-C4'-P energy: -20.323
tors. eta vs tors. theta energy: -36.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -370.454155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.454155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.454155 (E_RNA)
where:
Base-Base interactions energy: -249.216
where: short stacking energy: -108.235
Base-Backbone interact. energy: 2.629
local terms energy: -123.866696
where:
bonds (distance) C4'-P energy: -26.360
bonds (distance) P-C4' energy: -25.845
flat angles C4'-P-C4' energy: -30.913
flat angles P-C4'-P energy: -17.248
tors. eta vs tors. theta energy: -23.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -376.514419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.514419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.514419 (E_RNA)
where:
Base-Base interactions energy: -255.177
where: short stacking energy: -119.658
Base-Backbone interact. energy: -0.659
local terms energy: -120.678036
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -26.827
flat angles P-C4'-P energy: -17.899
tors. eta vs tors. theta energy: -36.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -218.493259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.493259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.493259 (E_RNA)
where:
Base-Base interactions energy: -115.373
where: short stacking energy: -68.735
Base-Backbone interact. energy: -0.558
local terms energy: -102.562021
where:
bonds (distance) C4'-P energy: -23.686
bonds (distance) P-C4' energy: -26.208
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -13.682
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: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -260.688628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.688628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.688628 (E_RNA)
where:
Base-Base interactions energy: -167.862
where: short stacking energy: -68.965
Base-Backbone interact. energy: -0.740
local terms energy: -92.086665
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -24.403
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -12.939
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: 4
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -278.941397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.941397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.941397 (E_RNA)
where:
Base-Base interactions energy: -180.096
where: short stacking energy: -79.051
Base-Backbone interact. energy: 4.911
local terms energy: -103.756440
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -27.802
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -20.832
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: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -136.737601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.737601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.737601 (E_RNA)
where:
Base-Base interactions energy: -53.666
where: short stacking energy: -41.854
Base-Backbone interact. energy: -0.102
local terms energy: -82.970113
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -26.900
flat angles C4'-P-C4' energy: -25.181
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: 1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -131.035568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.035568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.035568 (E_RNA)
where:
Base-Base interactions energy: -59.366
where: short stacking energy: -47.968
Base-Backbone interact. energy: 2.058
local terms energy: -73.727615
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -23.216
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -18.920
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -558.623459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.623459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.623459 (E_RNA)
where:
Base-Base interactions energy: -399.702
where: short stacking energy: -158.071
Base-Backbone interact. energy: -0.653
local terms energy: -158.268634
where:
bonds (distance) C4'-P energy: -27.015
bonds (distance) P-C4' energy: -27.612
flat angles C4'-P-C4' energy: -33.171
flat angles P-C4'-P energy: -21.638
tors. eta vs tors. theta energy: -48.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -449.360735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.360735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.360735 (E_RNA)
where:
Base-Base interactions energy: -305.916
where: short stacking energy: -144.281
Base-Backbone interact. energy: -1.265
local terms energy: -142.180267
where:
bonds (distance) C4'-P energy: -23.215
bonds (distance) P-C4' energy: -28.562
flat angles C4'-P-C4' energy: -29.637
flat angles P-C4'-P energy: -21.924
tors. eta vs tors. theta energy: -38.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -371.330816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.330816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.330816 (E_RNA)
where:
Base-Base interactions energy: -229.181
where: short stacking energy: -126.349
Base-Backbone interact. energy: -0.035
local terms energy: -142.114346
where:
bonds (distance) C4'-P energy: -28.066
bonds (distance) P-C4' energy: -29.021
flat angles C4'-P-C4' energy: -24.779
flat angles P-C4'-P energy: -23.712
tors. eta vs tors. theta energy: -36.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -385.000316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.000316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.000316 (E_RNA)
where:
Base-Base interactions energy: -259.722
where: short stacking energy: -116.490
Base-Backbone interact. energy: -0.248
local terms energy: -125.031064
where:
bonds (distance) C4'-P energy: -22.331
bonds (distance) P-C4' energy: -24.331
flat angles C4'-P-C4' energy: -30.247
flat angles P-C4'-P energy: -21.619
tors. eta vs tors. theta energy: -26.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -351.216784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.216784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.216784 (E_RNA)
where:
Base-Base interactions energy: -229.454
where: short stacking energy: -103.287
Base-Backbone interact. energy: -0.533
local terms energy: -121.229938
where:
bonds (distance) C4'-P energy: -27.425
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -27.114
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: -24.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -278.479222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.479222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.479222 (E_RNA)
where:
Base-Base interactions energy: -182.263
where: short stacking energy: -87.620
Base-Backbone interact. energy: -0.257
local terms energy: -95.958924
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -21.015
flat angles P-C4'-P energy: -17.448
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -217.032562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.032562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.032562 (E_RNA)
where:
Base-Base interactions energy: -125.469
where: short stacking energy: -63.420
Base-Backbone interact. energy: -0.383
local terms energy: -91.179988
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -25.523
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -12.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -310.251358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.251358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.251358 (E_RNA)
where:
Base-Base interactions energy: -196.518
where: short stacking energy: -84.424
Base-Backbone interact. energy: -0.138
local terms energy: -113.595950
where:
bonds (distance) C4'-P energy: -27.130
bonds (distance) P-C4' energy: -33.133
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -21.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -132.380934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.380934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.380934 (E_RNA)
where:
Base-Base interactions energy: -50.929
where: short stacking energy: -50.507
Base-Backbone interact. energy: -0.296
local terms energy: -81.156030
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -23.304
flat angles C4'-P-C4' energy: -23.220
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -6.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -133.418743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.418743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.418743 (E_RNA)
where:
Base-Base interactions energy: -52.782
where: short stacking energy: -48.648
Base-Backbone interact. energy: 1.122
local terms energy: -81.759672
where:
bonds (distance) C4'-P energy: -24.153
bonds (distance) P-C4' energy: -20.778
flat angles C4'-P-C4' energy: -24.980
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: 2.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -568.457972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.457972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.457972 (E_RNA)
where:
Base-Base interactions energy: -411.250
where: short stacking energy: -161.324
Base-Backbone interact. energy: -0.511
local terms energy: -156.696496
where:
bonds (distance) C4'-P energy: -26.701
bonds (distance) P-C4' energy: -25.707
flat angles C4'-P-C4' energy: -32.975
flat angles P-C4'-P energy: -22.854
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: 2, replica: 8
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -442.820400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.820400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.820400 (E_RNA)
where:
Base-Base interactions energy: -303.627
where: short stacking energy: -137.474
Base-Backbone interact. energy: -0.793
local terms energy: -138.400006
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -28.199
flat angles C4'-P-C4' energy: -31.383
flat angles P-C4'-P energy: -20.348
tors. eta vs tors. theta energy: -34.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -437.646315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.646315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.646315 (E_RNA)
where:
Base-Base interactions energy: -308.863
where: short stacking energy: -138.143
Base-Backbone interact. energy: -0.191
local terms energy: -128.591498
where:
bonds (distance) C4'-P energy: -20.563
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -28.446
flat angles P-C4'-P energy: -22.024
tors. eta vs tors. theta energy: -37.097
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: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -374.072925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.072925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.072925 (E_RNA)
where:
Base-Base interactions energy: -241.773
where: short stacking energy: -130.714
Base-Backbone interact. energy: -0.216
local terms energy: -132.083321
where:
bonds (distance) C4'-P energy: -27.207
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -25.897
flat angles P-C4'-P energy: -20.119
tors. eta vs tors. theta energy: -38.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -361.080931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.080931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.080931 (E_RNA)
where:
Base-Base interactions energy: -255.276
where: short stacking energy: -100.386
Base-Backbone interact. energy: -0.277
local terms energy: -105.528547
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -18.166
tors. eta vs tors. theta energy: -26.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -296.088361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.088361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.088361 (E_RNA)
where:
Base-Base interactions energy: -187.578
where: short stacking energy: -95.741
Base-Backbone interact. energy: -0.762
local terms energy: -107.748212
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -27.068
flat angles C4'-P-C4' energy: -23.422
flat angles P-C4'-P energy: -20.605
tors. eta vs tors. theta energy: -19.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -337.844331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.844331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.844331 (E_RNA)
where:
Base-Base interactions energy: -237.059
where: short stacking energy: -106.304
Base-Backbone interact. energy: -0.125
local terms energy: -100.660355
where:
bonds (distance) C4'-P energy: -24.599
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -22.821
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -21.809
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: 24
Temperature: 1.250000
Total energy: -202.683314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.683314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.683314 (E_RNA)
where:
Base-Base interactions energy: -102.540
where: short stacking energy: -64.737
Base-Backbone interact. energy: 0.761
local terms energy: -100.904037
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -29.409
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -16.636
tors. eta vs tors. theta energy: -11.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -173.758107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.758107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.758107 (E_RNA)
where:
Base-Base interactions energy: -84.207
where: short stacking energy: -50.609
Base-Backbone interact. energy: -0.499
local terms energy: -89.052009
where:
bonds (distance) C4'-P energy: -27.102
bonds (distance) P-C4' energy: -28.152
flat angles C4'-P-C4' energy: -21.110
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -131.638942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.638942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.638942 (E_RNA)
where:
Base-Base interactions energy: -61.683
where: short stacking energy: -37.483
Base-Backbone interact. energy: -1.233
local terms energy: -68.722876
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -22.338
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: 4.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -555.053646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.053646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.053646 (E_RNA)
where:
Base-Base interactions energy: -400.096
where: short stacking energy: -159.456
Base-Backbone interact. energy: -1.472
local terms energy: -153.485538
where:
bonds (distance) C4'-P energy: -26.018
bonds (distance) P-C4' energy: -25.668
flat angles C4'-P-C4' energy: -30.675
flat angles P-C4'-P energy: -24.573
tors. eta vs tors. theta energy: -46.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -435.782622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.782622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.782622 (E_RNA)
where:
Base-Base interactions energy: -291.098
where: short stacking energy: -130.947
Base-Backbone interact. energy: -0.234
local terms energy: -144.451343
where:
bonds (distance) C4'-P energy: -30.952
bonds (distance) P-C4' energy: -28.602
flat angles C4'-P-C4' energy: -29.649
flat angles P-C4'-P energy: -20.369
tors. eta vs tors. theta energy: -34.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -463.109486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.109486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.109486 (E_RNA)
where:
Base-Base interactions energy: -333.731
where: short stacking energy: -143.935
Base-Backbone interact. energy: 0.259
local terms energy: -129.636627
where:
bonds (distance) C4'-P energy: -20.988
bonds (distance) P-C4' energy: -23.092
flat angles C4'-P-C4' energy: -26.977
flat angles P-C4'-P energy: -19.882
tors. eta vs tors. theta energy: -38.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -363.958806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.958806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.958806 (E_RNA)
where:
Base-Base interactions energy: -235.309
where: short stacking energy: -113.237
Base-Backbone interact. energy: -0.021
local terms energy: -128.628820
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -31.578
flat angles C4'-P-C4' energy: -28.460
flat angles P-C4'-P energy: -22.534
tors. eta vs tors. theta energy: -27.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -356.019443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.019443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.019443 (E_RNA)
where:
Base-Base interactions energy: -226.471
where: short stacking energy: -107.588
Base-Backbone interact. energy: -0.609
local terms energy: -128.939603
where:
bonds (distance) C4'-P energy: -23.727
bonds (distance) P-C4' energy: -27.470
flat angles C4'-P-C4' energy: -28.680
flat angles P-C4'-P energy: -21.186
tors. eta vs tors. theta energy: -27.877
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: 4
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -366.803248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.803248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.803248 (E_RNA)
where:
Base-Base interactions energy: -249.059
where: short stacking energy: -107.377
Base-Backbone interact. energy: -0.036
local terms energy: -117.707766
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -22.960
flat angles C4'-P-C4' energy: -29.939
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: -28.838
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: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -278.687310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.687310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.687310 (E_RNA)
where:
Base-Base interactions energy: -174.406
where: short stacking energy: -84.267
Base-Backbone interact. energy: -0.494
local terms energy: -103.786522
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -27.193
flat angles C4'-P-C4' energy: -20.210
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -21.911
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: 2
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -186.618245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.618245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.618245 (E_RNA)
where:
Base-Base interactions energy: -96.558
where: short stacking energy: -54.350
Base-Backbone interact. energy: 0.042
local terms energy: -90.103195
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -25.285
flat angles C4'-P-C4' energy: -22.639
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -155.993711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.993711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.993711 (E_RNA)
where:
Base-Base interactions energy: -90.022
where: short stacking energy: -59.221
Base-Backbone interact. energy: -0.775
local terms energy: -65.196770
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -133.036023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.036023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.036023 (E_RNA)
where:
Base-Base interactions energy: -56.886
where: short stacking energy: -46.563
Base-Backbone interact. energy: -0.735
local terms energy: -75.415490
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -24.215
flat angles C4'-P-C4' energy: -27.110
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: 8.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -559.350492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.350492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.350492 (E_RNA)
where:
Base-Base interactions energy: -403.365
where: short stacking energy: -158.220
Base-Backbone interact. energy: -0.055
local terms energy: -155.929776
where:
bonds (distance) C4'-P energy: -27.147
bonds (distance) P-C4' energy: -28.450
flat angles C4'-P-C4' energy: -28.181
flat angles P-C4'-P energy: -25.497
tors. eta vs tors. theta energy: -46.654
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: 2, replica: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -438.730506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.730506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.730506 (E_RNA)
where:
Base-Base interactions energy: -301.078
where: short stacking energy: -138.223
Base-Backbone interact. energy: -0.916
local terms energy: -136.736384
where:
bonds (distance) C4'-P energy: -28.598
bonds (distance) P-C4' energy: -25.164
flat angles C4'-P-C4' energy: -29.269
flat angles P-C4'-P energy: -17.987
tors. eta vs tors. theta energy: -35.719
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: 26
Temperature: 1.000000
Total energy: -460.004404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.004404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.004404 (E_RNA)
where:
Base-Base interactions energy: -322.014
where: short stacking energy: -136.326
Base-Backbone interact. energy: 0.159
local terms energy: -138.149225
where:
bonds (distance) C4'-P energy: -25.043
bonds (distance) P-C4' energy: -24.185
flat angles C4'-P-C4' energy: -29.287
flat angles P-C4'-P energy: -22.331
tors. eta vs tors. theta energy: -37.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -407.635850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.635850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.635850 (E_RNA)
where:
Base-Base interactions energy: -286.971
where: short stacking energy: -122.027
Base-Backbone interact. energy: -0.304
local terms energy: -120.361108
where:
bonds (distance) C4'-P energy: -24.870
bonds (distance) P-C4' energy: -29.339
flat angles C4'-P-C4' energy: -22.665
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -29.347
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: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -380.626779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.626779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.626779 (E_RNA)
where:
Base-Base interactions energy: -265.929
where: short stacking energy: -105.561
Base-Backbone interact. energy: 0.205
local terms energy: -114.902387
where:
bonds (distance) C4'-P energy: -24.670
bonds (distance) P-C4' energy: -24.814
flat angles C4'-P-C4' energy: -23.677
flat angles P-C4'-P energy: -16.631
tors. eta vs tors. theta energy: -25.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -395.130509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.130509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.130509 (E_RNA)
where:
Base-Base interactions energy: -279.049
where: short stacking energy: -118.829
Base-Backbone interact. energy: -1.062
local terms energy: -115.019248
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -23.271
flat angles P-C4'-P energy: -19.052
tors. eta vs tors. theta energy: -31.089
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: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -282.104821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.104821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.104821 (E_RNA)
where:
Base-Base interactions energy: -178.363
where: short stacking energy: -93.400
Base-Backbone interact. energy: -0.357
local terms energy: -103.385294
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -25.673
flat angles C4'-P-C4' energy: -24.739
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -19.561
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: 2
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -181.055965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.055965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.055965 (E_RNA)
where:
Base-Base interactions energy: -100.817
where: short stacking energy: -64.409
Base-Backbone interact. energy: -0.472
local terms energy: -79.767567
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -6.117
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: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -217.901101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.901101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.901101 (E_RNA)
where:
Base-Base interactions energy: -114.963
where: short stacking energy: -62.154
Base-Backbone interact. energy: -0.065
local terms energy: -102.872894
where:
bonds (distance) C4'-P energy: -27.685
bonds (distance) P-C4' energy: -20.670
flat angles C4'-P-C4' energy: -25.802
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -14.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -140.681186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.681186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.681186 (E_RNA)
where:
Base-Base interactions energy: -56.719
where: short stacking energy: -38.723
Base-Backbone interact. energy: -0.114
local terms energy: -83.847830
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -27.952
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -5.020
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: 7
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -564.589054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.589054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.589054 (E_RNA)
where:
Base-Base interactions energy: -401.520
where: short stacking energy: -161.837
Base-Backbone interact. energy: -0.440
local terms energy: -162.628668
where:
bonds (distance) C4'-P energy: -32.094
bonds (distance) P-C4' energy: -25.223
flat angles C4'-P-C4' energy: -32.444
flat angles P-C4'-P energy: -24.044
tors. eta vs tors. theta energy: -48.823
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: 8
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -493.780153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.780153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.780153 (E_RNA)
where:
Base-Base interactions energy: -348.388
where: short stacking energy: -149.246
Base-Backbone interact. energy: -1.560
local terms energy: -143.831805
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -29.046
flat angles C4'-P-C4' energy: -30.786
flat angles P-C4'-P energy: -21.216
tors. eta vs tors. theta energy: -41.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -449.574518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.574518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.574518 (E_RNA)
where:
Base-Base interactions energy: -315.313
where: short stacking energy: -135.900
Base-Backbone interact. energy: -1.373
local terms energy: -132.889149
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -25.272
flat angles C4'-P-C4' energy: -31.601
flat angles P-C4'-P energy: -19.349
tors. eta vs tors. theta energy: -37.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -422.554938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.554938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.554938 (E_RNA)
where:
Base-Base interactions energy: -287.427
where: short stacking energy: -127.734
Base-Backbone interact. energy: 0.164
local terms energy: -135.291677
where:
bonds (distance) C4'-P energy: -24.659
bonds (distance) P-C4' energy: -26.718
flat angles C4'-P-C4' energy: -30.616
flat angles P-C4'-P energy: -18.902
tors. eta vs tors. theta energy: -34.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -385.984085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.984085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.984085 (E_RNA)
where:
Base-Base interactions energy: -260.738
where: short stacking energy: -109.491
Base-Backbone interact. energy: -0.214
local terms energy: -125.032930
where:
bonds (distance) C4'-P energy: -26.809
bonds (distance) P-C4' energy: -24.357
flat angles C4'-P-C4' energy: -24.315
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -32.265
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: 27
Temperature: 1.150000
Total energy: -428.045114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.045114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.045114 (E_RNA)
where:
Base-Base interactions energy: -305.618
where: short stacking energy: -122.489
Base-Backbone interact. energy: -1.013
local terms energy: -121.414190
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -28.010
flat angles C4'-P-C4' energy: -25.859
flat angles P-C4'-P energy: -18.662
tors. eta vs tors. theta energy: -32.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -267.883435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.883435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.883435 (E_RNA)
where:
Base-Base interactions energy: -171.381
where: short stacking energy: -74.086
Base-Backbone interact. energy: -0.606
local terms energy: -95.896065
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -27.522
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -17.529
tors. eta vs tors. theta energy: -4.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -245.116791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.116791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.116791 (E_RNA)
where:
Base-Base interactions energy: -146.784
where: short stacking energy: -73.952
Base-Backbone interact. energy: -0.154
local terms energy: -98.178956
where:
bonds (distance) C4'-P energy: -17.742
bonds (distance) P-C4' energy: -26.930
flat angles C4'-P-C4' energy: -23.951
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -13.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -130.820597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.820597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.820597 (E_RNA)
where:
Base-Base interactions energy: -57.907
where: short stacking energy: -32.752
Base-Backbone interact. energy: 0.223
local terms energy: -73.135783
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -27.746
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -204.247595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.247595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.247595 (E_RNA)
where:
Base-Base interactions energy: -128.973
where: short stacking energy: -50.245
Base-Backbone interact. energy: -1.427
local terms energy: -73.847737
where:
bonds (distance) C4'-P energy: -22.589
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -566.135930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.135930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.135930 (E_RNA)
where:
Base-Base interactions energy: -408.654
where: short stacking energy: -162.960
Base-Backbone interact. energy: -1.861
local terms energy: -155.621427
where:
bonds (distance) C4'-P energy: -28.510
bonds (distance) P-C4' energy: -28.733
flat angles C4'-P-C4' energy: -25.138
flat angles P-C4'-P energy: -25.169
tors. eta vs tors. theta energy: -48.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -483.485116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.485116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.485116 (E_RNA)
where:
Base-Base interactions energy: -340.028
where: short stacking energy: -144.248
Base-Backbone interact. energy: -0.766
local terms energy: -142.691382
where:
bonds (distance) C4'-P energy: -26.325
bonds (distance) P-C4' energy: -29.098
flat angles C4'-P-C4' energy: -28.723
flat angles P-C4'-P energy: -19.352
tors. eta vs tors. theta energy: -39.192
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: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -494.671636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.671636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.671636 (E_RNA)
where:
Base-Base interactions energy: -350.688
where: short stacking energy: -145.934
Base-Backbone interact. energy: -0.547
local terms energy: -143.436978
where:
bonds (distance) C4'-P energy: -22.967
bonds (distance) P-C4' energy: -29.796
flat angles C4'-P-C4' energy: -25.318
flat angles P-C4'-P energy: -21.642
tors. eta vs tors. theta energy: -43.714
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: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -450.140555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.140555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.140555 (E_RNA)
where:
Base-Base interactions energy: -315.147
where: short stacking energy: -137.444
Base-Backbone interact. energy: -0.587
local terms energy: -134.405687
where:
bonds (distance) C4'-P energy: -24.101
bonds (distance) P-C4' energy: -27.633
flat angles C4'-P-C4' energy: -27.300
flat angles P-C4'-P energy: -19.386
tors. eta vs tors. theta energy: -35.986
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: 4
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -467.772078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.772078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.772078 (E_RNA)
where:
Base-Base interactions energy: -331.193
where: short stacking energy: -125.555
Base-Backbone interact. energy: -0.483
local terms energy: -136.096301
where:
bonds (distance) C4'-P energy: -21.698
bonds (distance) P-C4' energy: -27.145
flat angles C4'-P-C4' energy: -31.216
flat angles P-C4'-P energy: -20.276
tors. eta vs tors. theta energy: -35.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -383.221450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.221450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.221450 (E_RNA)
where:
Base-Base interactions energy: -261.213
where: short stacking energy: -117.304
Base-Backbone interact. energy: -0.181
local terms energy: -121.827634
where:
bonds (distance) C4'-P energy: -25.579
bonds (distance) P-C4' energy: -24.279
flat angles C4'-P-C4' energy: -27.830
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -31.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -228.429243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.429243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.429243 (E_RNA)
where:
Base-Base interactions energy: -130.667
where: short stacking energy: -67.839
Base-Backbone interact. energy: -0.410
local terms energy: -97.352489
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -26.011
flat angles C4'-P-C4' energy: -30.462
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -227.370219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.370219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.370219 (E_RNA)
where:
Base-Base interactions energy: -120.595
where: short stacking energy: -58.473
Base-Backbone interact. energy: 0.273
local terms energy: -107.048788
where:
bonds (distance) C4'-P energy: -27.468
bonds (distance) P-C4' energy: -23.256
flat angles C4'-P-C4' energy: -25.036
flat angles P-C4'-P energy: -18.385
tors. eta vs tors. theta energy: -12.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -232.626533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.626533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.626533 (E_RNA)
where:
Base-Base interactions energy: -139.577
where: short stacking energy: -70.117
Base-Backbone interact. energy: -0.142
local terms energy: -92.907340
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -21.753
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -11.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -138.317738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.317738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.317738 (E_RNA)
where:
Base-Base interactions energy: -48.835
where: short stacking energy: -48.935
Base-Backbone interact. energy: -0.599
local terms energy: -88.883764
where:
bonds (distance) C4'-P energy: -24.195
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -10.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -564.896053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.896053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.896053 (E_RNA)
where:
Base-Base interactions energy: -402.965
where: short stacking energy: -155.140
Base-Backbone interact. energy: -2.174
local terms energy: -159.757144
where:
bonds (distance) C4'-P energy: -31.251
bonds (distance) P-C4' energy: -29.654
flat angles C4'-P-C4' energy: -29.646
flat angles P-C4'-P energy: -21.009
tors. eta vs tors. theta energy: -48.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -496.195013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.195013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.195013 (E_RNA)
where:
Base-Base interactions energy: -350.191
where: short stacking energy: -141.386
Base-Backbone interact. energy: -2.790
local terms energy: -143.213995
where:
bonds (distance) C4'-P energy: -22.914
bonds (distance) P-C4' energy: -26.922
flat angles C4'-P-C4' energy: -27.314
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: -42.407
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: 29
Temperature: 1.000000
Total energy: -488.058257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.058257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.058257 (E_RNA)
where:
Base-Base interactions energy: -338.403
where: short stacking energy: -143.875
Base-Backbone interact. energy: -0.009
local terms energy: -149.646606
where:
bonds (distance) C4'-P energy: -26.976
bonds (distance) P-C4' energy: -29.002
flat angles C4'-P-C4' energy: -30.208
flat angles P-C4'-P energy: -21.613
tors. eta vs tors. theta energy: -41.847
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: 29
Temperature: 1.050000
Total energy: -514.312942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.312942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.312942 (E_RNA)
where:
Base-Base interactions energy: -366.082
where: short stacking energy: -142.208
Base-Backbone interact. energy: -0.248
local terms energy: -147.983719
where:
bonds (distance) C4'-P energy: -24.137
bonds (distance) P-C4' energy: -30.570
flat angles C4'-P-C4' energy: -31.016
flat angles P-C4'-P energy: -23.107
tors. eta vs tors. theta energy: -39.153
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: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -424.603782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.603782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.603782 (E_RNA)
where:
Base-Base interactions energy: -298.999
where: short stacking energy: -123.015
Base-Backbone interact. energy: -0.348
local terms energy: -125.256314
where:
bonds (distance) C4'-P energy: -22.619
bonds (distance) P-C4' energy: -26.816
flat angles C4'-P-C4' energy: -27.381
flat angles P-C4'-P energy: -15.010
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: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -376.935066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.935066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.935066 (E_RNA)
where:
Base-Base interactions energy: -264.969
where: short stacking energy: -118.416
Base-Backbone interact. energy: -0.027
local terms energy: -111.939409
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -18.581
flat angles C4'-P-C4' energy: -26.350
flat angles P-C4'-P energy: -19.469
tors. eta vs tors. theta energy: -27.168
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: 9
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -245.611405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.611405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.611405 (E_RNA)
where:
Base-Base interactions energy: -161.578
where: short stacking energy: -77.230
Base-Backbone interact. energy: -0.102
local terms energy: -83.931752
where:
bonds (distance) C4'-P energy: -26.191
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -4.512
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: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -344.334448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.334448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.334448 (E_RNA)
where:
Base-Base interactions energy: -229.606
where: short stacking energy: -104.050
Base-Backbone interact. energy: -0.307
local terms energy: -114.421381
where:
bonds (distance) C4'-P energy: -22.328
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -32.257
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -21.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -204.217522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.217522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.217522 (E_RNA)
where:
Base-Base interactions energy: -101.742
where: short stacking energy: -64.877
Base-Backbone interact. energy: -0.936
local terms energy: -101.539125
where:
bonds (distance) C4'-P energy: -26.734
bonds (distance) P-C4' energy: -25.326
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -22.512
tors. eta vs tors. theta energy: -7.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -126.631844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.631844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.631844 (E_RNA)
where:
Base-Base interactions energy: -39.559
where: short stacking energy: -33.612
Base-Backbone interact. energy: -0.926
local terms energy: -86.146418
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -28.360
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -556.210788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.210788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.210788 (E_RNA)
where:
Base-Base interactions energy: -401.373
where: short stacking energy: -156.584
Base-Backbone interact. energy: -0.610
local terms energy: -154.227939
where:
bonds (distance) C4'-P energy: -22.715
bonds (distance) P-C4' energy: -30.287
flat angles C4'-P-C4' energy: -31.500
flat angles P-C4'-P energy: -22.439
tors. eta vs tors. theta energy: -47.287
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: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -495.981284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.981284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.981284 (E_RNA)
where:
Base-Base interactions energy: -350.790
where: short stacking energy: -140.633
Base-Backbone interact. energy: -0.226
local terms energy: -144.965393
where:
bonds (distance) C4'-P energy: -27.077
bonds (distance) P-C4' energy: -31.856
flat angles C4'-P-C4' energy: -28.060
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -39.608
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: 30
Temperature: 1.000000
Total energy: -500.786479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.786479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.786479 (E_RNA)
where:
Base-Base interactions energy: -371.707
where: short stacking energy: -145.711
Base-Backbone interact. energy: -0.286
local terms energy: -128.792802
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -28.683
flat angles P-C4'-P energy: -21.051
tors. eta vs tors. theta energy: -40.108
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: 4, replica: 4
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -504.107541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.107541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.107541 (E_RNA)
where:
Base-Base interactions energy: -369.256
where: short stacking energy: -139.067
Base-Backbone interact. energy: -0.881
local terms energy: -133.970998
where:
bonds (distance) C4'-P energy: -27.263
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -26.658
flat angles P-C4'-P energy: -19.797
tors. eta vs tors. theta energy: -40.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -416.225264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.225264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.225264 (E_RNA)
where:
Base-Base interactions energy: -303.686
where: short stacking energy: -120.894
Base-Backbone interact. energy: -0.285
local terms energy: -112.253890
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -31.367
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: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -374.464152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.464152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.464152 (E_RNA)
where:
Base-Base interactions energy: -254.639
where: short stacking energy: -103.319
Base-Backbone interact. energy: -0.529
local terms energy: -119.296441
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -29.879
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -21.398
tors. eta vs tors. theta energy: -28.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -363.857458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.857458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.857458 (E_RNA)
where:
Base-Base interactions energy: -251.919
where: short stacking energy: -98.115
Base-Backbone interact. energy: -0.692
local terms energy: -111.246417
where:
bonds (distance) C4'-P energy: -28.950
bonds (distance) P-C4' energy: -21.872
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -20.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -181.279096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.279096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.279096 (E_RNA)
where:
Base-Base interactions energy: -104.094
where: short stacking energy: -57.284
Base-Backbone interact. energy: 1.342
local terms energy: -78.526819
where:
bonds (distance) C4'-P energy: -24.143
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -183.729056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.729056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.729056 (E_RNA)
where:
Base-Base interactions energy: -98.674
where: short stacking energy: -67.743
Base-Backbone interact. energy: -0.303
local terms energy: -84.752017
where:
bonds (distance) C4'-P energy: -24.045
bonds (distance) P-C4' energy: -21.729
flat angles C4'-P-C4' energy: -23.889
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -127.279401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.279401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.279401 (E_RNA)
where:
Base-Base interactions energy: -52.609
where: short stacking energy: -31.043
Base-Backbone interact. energy: -0.556
local terms energy: -74.114628
where:
bonds (distance) C4'-P energy: -25.612
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: 2.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -556.474682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.474682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.474682 (E_RNA)
where:
Base-Base interactions energy: -409.025
where: short stacking energy: -161.896
Base-Backbone interact. energy: -0.382
local terms energy: -147.067753
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -24.626
flat angles C4'-P-C4' energy: -31.209
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -47.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -520.068245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.068245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.068245 (E_RNA)
where:
Base-Base interactions energy: -362.665
where: short stacking energy: -147.926
Base-Backbone interact. energy: -1.102
local terms energy: -156.301176
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -33.636
flat angles C4'-P-C4' energy: -33.529
flat angles P-C4'-P energy: -23.466
tors. eta vs tors. theta energy: -44.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -538.751124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.751124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.751124 (E_RNA)
where:
Base-Base interactions energy: -386.217
where: short stacking energy: -149.656
Base-Backbone interact. energy: -1.449
local terms energy: -151.085413
where:
bonds (distance) C4'-P energy: -26.507
bonds (distance) P-C4' energy: -26.196
flat angles C4'-P-C4' energy: -29.174
flat angles P-C4'-P energy: -23.235
tors. eta vs tors. theta energy: -45.974
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: 4
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -506.728279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.728279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.728279 (E_RNA)
where:
Base-Base interactions energy: -355.040
where: short stacking energy: -139.626
Base-Backbone interact. energy: -0.297
local terms energy: -151.391107
where:
bonds (distance) C4'-P energy: -22.167
bonds (distance) P-C4' energy: -29.088
flat angles C4'-P-C4' energy: -30.114
flat angles P-C4'-P energy: -25.261
tors. eta vs tors. theta energy: -44.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -408.581827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.581827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.581827 (E_RNA)
where:
Base-Base interactions energy: -278.685
where: short stacking energy: -121.984
Base-Backbone interact. energy: -0.200
local terms energy: -129.696898
where:
bonds (distance) C4'-P energy: -26.600
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -30.156
flat angles P-C4'-P energy: -22.291
tors. eta vs tors. theta energy: -34.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -411.446361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.446361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.446361 (E_RNA)
where:
Base-Base interactions energy: -283.727
where: short stacking energy: -117.508
Base-Backbone interact. energy: 0.023
local terms energy: -127.742486
where:
bonds (distance) C4'-P energy: -23.972
bonds (distance) P-C4' energy: -22.918
flat angles C4'-P-C4' energy: -26.204
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: -35.368
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: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -359.908475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.908475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.908475 (E_RNA)
where:
Base-Base interactions energy: -237.735
where: short stacking energy: -102.967
Base-Backbone interact. energy: -0.032
local terms energy: -122.141097
where:
bonds (distance) C4'-P energy: -25.956
bonds (distance) P-C4' energy: -24.470
flat angles C4'-P-C4' energy: -25.719
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -29.345
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: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -148.870421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.870421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.870421 (E_RNA)
where:
Base-Base interactions energy: -57.794
where: short stacking energy: -39.766
Base-Backbone interact. energy: 1.524
local terms energy: -92.600120
where:
bonds (distance) C4'-P energy: -25.292
bonds (distance) P-C4' energy: -24.120
flat angles C4'-P-C4' energy: -26.520
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -144.321067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.321067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.321067 (E_RNA)
where:
Base-Base interactions energy: -76.717
where: short stacking energy: -42.942
Base-Backbone interact. energy: 2.010
local terms energy: -69.613952
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -25.297
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: 1.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -129.547971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.547971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.547971 (E_RNA)
where:
Base-Base interactions energy: -58.092
where: short stacking energy: -47.211
Base-Backbone interact. energy: -0.244
local terms energy: -71.211407
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -26.160
flat angles C4'-P-C4' energy: -20.155
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: 5.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -562.302825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.302825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.302825 (E_RNA)
where:
Base-Base interactions energy: -408.480
where: short stacking energy: -165.249
Base-Backbone interact. energy: -0.001
local terms energy: -153.822082
where:
bonds (distance) C4'-P energy: -23.622
bonds (distance) P-C4' energy: -26.713
flat angles C4'-P-C4' energy: -31.255
flat angles P-C4'-P energy: -24.350
tors. eta vs tors. theta energy: -47.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -515.297584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.297584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.297584 (E_RNA)
where:
Base-Base interactions energy: -373.928
where: short stacking energy: -151.987
Base-Backbone interact. energy: -1.147
local terms energy: -140.222672
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -24.590
flat angles C4'-P-C4' energy: -29.344
flat angles P-C4'-P energy: -21.647
tors. eta vs tors. theta energy: -41.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -541.866317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.866317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.866317 (E_RNA)
where:
Base-Base interactions energy: -394.492
where: short stacking energy: -153.506
Base-Backbone interact. energy: -0.240
local terms energy: -147.133784
where:
bonds (distance) C4'-P energy: -21.125
bonds (distance) P-C4' energy: -27.915
flat angles C4'-P-C4' energy: -29.232
flat angles P-C4'-P energy: -23.529
tors. eta vs tors. theta energy: -45.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -536.889573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.889573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.889573 (E_RNA)
where:
Base-Base interactions energy: -390.769
where: short stacking energy: -155.236
Base-Backbone interact. energy: -1.124
local terms energy: -144.996372
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -25.758
flat angles C4'-P-C4' energy: -31.351
flat angles P-C4'-P energy: -20.138
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: 5, replica: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -435.138959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.138959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.138959 (E_RNA)
where:
Base-Base interactions energy: -299.565
where: short stacking energy: -133.967
Base-Backbone interact. energy: -0.871
local terms energy: -134.702254
where:
bonds (distance) C4'-P energy: -21.083
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -32.534
flat angles P-C4'-P energy: -21.705
tors. eta vs tors. theta energy: -35.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -415.030802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.030802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.030802 (E_RNA)
where:
Base-Base interactions energy: -283.558
where: short stacking energy: -118.256
Base-Backbone interact. energy: -0.677
local terms energy: -130.795931
where:
bonds (distance) C4'-P energy: -21.975
bonds (distance) P-C4' energy: -29.870
flat angles C4'-P-C4' energy: -29.681
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -36.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -382.319040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.319040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.319040 (E_RNA)
where:
Base-Base interactions energy: -275.570
where: short stacking energy: -120.901
Base-Backbone interact. energy: -0.802
local terms energy: -105.946878
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -24.830
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -29.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -163.679355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.679355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.679355 (E_RNA)
where:
Base-Base interactions energy: -76.105
where: short stacking energy: -47.899
Base-Backbone interact. energy: -0.383
local terms energy: -87.191394
where:
bonds (distance) C4'-P energy: -25.524
bonds (distance) P-C4' energy: -25.666
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: 4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -144.137440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.137440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.137440 (E_RNA)
where:
Base-Base interactions energy: -55.617
where: short stacking energy: -50.890
Base-Backbone interact. energy: -0.758
local terms energy: -87.762262
where:
bonds (distance) C4'-P energy: -19.061
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -23.052
flat angles P-C4'-P energy: -11.417
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: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -137.690334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.690334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.690334 (E_RNA)
where:
Base-Base interactions energy: -48.710
where: short stacking energy: -42.998
Base-Backbone interact. energy: -0.765
local terms energy: -88.214601
where:
bonds (distance) C4'-P energy: -25.600
bonds (distance) P-C4' energy: -28.545
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -17.888
tors. eta vs tors. theta energy: -0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -561.687290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.687290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.687290 (E_RNA)
where:
Base-Base interactions energy: -406.598
where: short stacking energy: -159.733
Base-Backbone interact. energy: -0.108
local terms energy: -154.981318
where:
bonds (distance) C4'-P energy: -24.539
bonds (distance) P-C4' energy: -29.271
flat angles C4'-P-C4' energy: -27.393
flat angles P-C4'-P energy: -24.096
tors. eta vs tors. theta energy: -49.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -538.733220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.733220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.733220 (E_RNA)
where:
Base-Base interactions energy: -393.018
where: short stacking energy: -154.158
Base-Backbone interact. energy: -0.502
local terms energy: -145.213610
where:
bonds (distance) C4'-P energy: -29.030
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -27.585
flat angles P-C4'-P energy: -22.375
tors. eta vs tors. theta energy: -45.893
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: 33
Temperature: 1.000000
Total energy: -530.140911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.140911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.140911 (E_RNA)
where:
Base-Base interactions energy: -376.143
where: short stacking energy: -152.516
Base-Backbone interact. energy: -0.015
local terms energy: -153.982656
where:
bonds (distance) C4'-P energy: -28.684
bonds (distance) P-C4' energy: -27.557
flat angles C4'-P-C4' energy: -31.490
flat angles P-C4'-P energy: -22.638
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: 33
Temperature: 1.050000
Total energy: -542.232993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.232993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.232993 (E_RNA)
where:
Base-Base interactions energy: -388.597
where: short stacking energy: -150.383
Base-Backbone interact. energy: -0.001
local terms energy: -153.635282
where:
bonds (distance) C4'-P energy: -32.758
bonds (distance) P-C4' energy: -23.450
flat angles C4'-P-C4' energy: -31.746
flat angles P-C4'-P energy: -23.212
tors. eta vs tors. theta energy: -42.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -485.635348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.635348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.635348 (E_RNA)
where:
Base-Base interactions energy: -351.702
where: short stacking energy: -125.058
Base-Backbone interact. energy: -0.037
local terms energy: -133.895778
where:
bonds (distance) C4'-P energy: -28.651
bonds (distance) P-C4' energy: -26.770
flat angles C4'-P-C4' energy: -26.795
flat angles P-C4'-P energy: -18.976
tors. eta vs tors. theta energy: -32.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -408.452413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.452413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.452413 (E_RNA)
where:
Base-Base interactions energy: -289.234
where: short stacking energy: -124.675
Base-Backbone interact. energy: -0.448
local terms energy: -118.770491
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -24.208
flat angles C4'-P-C4' energy: -23.582
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: -34.154
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: 5
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -411.949114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.949114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.949114 (E_RNA)
where:
Base-Base interactions energy: -284.340
where: short stacking energy: -113.416
Base-Backbone interact. energy: 1.353
local terms energy: -128.962923
where:
bonds (distance) C4'-P energy: -26.213
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -24.483
flat angles P-C4'-P energy: -20.127
tors. eta vs tors. theta energy: -32.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -189.007154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.007154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.007154 (E_RNA)
where:
Base-Base interactions energy: -95.233
where: short stacking energy: -67.332
Base-Backbone interact. energy: -0.089
local terms energy: -93.684563
where:
bonds (distance) C4'-P energy: -23.320
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -22.955
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -9.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -147.549386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.549386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.549386 (E_RNA)
where:
Base-Base interactions energy: -69.290
where: short stacking energy: -60.252
Base-Backbone interact. energy: -0.825
local terms energy: -77.434944
where:
bonds (distance) C4'-P energy: -26.156
bonds (distance) P-C4' energy: -24.338
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -132.019000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.019000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.019000 (E_RNA)
where:
Base-Base interactions energy: -44.427
where: short stacking energy: -40.242
Base-Backbone interact. energy: 0.095
local terms energy: -87.686529
where:
bonds (distance) C4'-P energy: -24.385
bonds (distance) P-C4' energy: -29.766
flat angles C4'-P-C4' energy: -19.577
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: 0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -548.844325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.844325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.844325 (E_RNA)
where:
Base-Base interactions energy: -390.037
where: short stacking energy: -150.899
Base-Backbone interact. energy: -0.776
local terms energy: -158.031449
where:
bonds (distance) C4'-P energy: -27.580
bonds (distance) P-C4' energy: -32.108
flat angles C4'-P-C4' energy: -29.001
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: -46.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -551.176769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.176769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.176769 (E_RNA)
where:
Base-Base interactions energy: -396.126
where: short stacking energy: -156.642
Base-Backbone interact. energy: -0.410
local terms energy: -154.640757
where:
bonds (distance) C4'-P energy: -27.609
bonds (distance) P-C4' energy: -25.822
flat angles C4'-P-C4' energy: -31.094
flat angles P-C4'-P energy: -23.959
tors. eta vs tors. theta energy: -46.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -549.954653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.954653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.954653 (E_RNA)
where:
Base-Base interactions energy: -397.946
where: short stacking energy: -153.078
Base-Backbone interact. energy: -0.989
local terms energy: -151.019492
where:
bonds (distance) C4'-P energy: -24.505
bonds (distance) P-C4' energy: -32.889
flat angles C4'-P-C4' energy: -27.881
flat angles P-C4'-P energy: -20.491
tors. eta vs tors. theta energy: -45.253
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: 34
Temperature: 1.050000
Total energy: -539.573067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.573067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.573067 (E_RNA)
where:
Base-Base interactions energy: -390.627
where: short stacking energy: -153.027
Base-Backbone interact. energy: -0.335
local terms energy: -148.610290
where:
bonds (distance) C4'-P energy: -25.919
bonds (distance) P-C4' energy: -22.329
flat angles C4'-P-C4' energy: -32.086
flat angles P-C4'-P energy: -21.454
tors. eta vs tors. theta energy: -46.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -491.915900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.915900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.915900 (E_RNA)
where:
Base-Base interactions energy: -362.363
where: short stacking energy: -134.556
Base-Backbone interact. energy: -0.960
local terms energy: -128.592442
where:
bonds (distance) C4'-P energy: -22.743
bonds (distance) P-C4' energy: -27.687
flat angles C4'-P-C4' energy: -24.407
flat angles P-C4'-P energy: -17.843
tors. eta vs tors. theta energy: -35.912
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: 3
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -411.766182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.766182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.766182 (E_RNA)
where:
Base-Base interactions energy: -287.011
where: short stacking energy: -118.217
Base-Backbone interact. energy: -0.261
local terms energy: -124.494693
where:
bonds (distance) C4'-P energy: -20.892
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -28.082
flat angles P-C4'-P energy: -19.897
tors. eta vs tors. theta energy: -33.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -415.213641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.213641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.213641 (E_RNA)
where:
Base-Base interactions energy: -293.388
where: short stacking energy: -115.436
Base-Backbone interact. energy: -0.249
local terms energy: -121.576642
where:
bonds (distance) C4'-P energy: -22.671
bonds (distance) P-C4' energy: -30.710
flat angles C4'-P-C4' energy: -26.652
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -26.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -221.375453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.375453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.375453 (E_RNA)
where:
Base-Base interactions energy: -116.954
where: short stacking energy: -57.777
Base-Backbone interact. energy: 0.765
local terms energy: -105.186867
where:
bonds (distance) C4'-P energy: -28.825
bonds (distance) P-C4' energy: -24.528
flat angles C4'-P-C4' energy: -26.423
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -10.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -170.981435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.981435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.981435 (E_RNA)
where:
Base-Base interactions energy: -78.814
where: short stacking energy: -48.958
Base-Backbone interact. energy: -0.919
local terms energy: -91.248281
where:
bonds (distance) C4'-P energy: -26.630
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -26.145
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -6.294
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: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -129.185493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.185493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.185493 (E_RNA)
where:
Base-Base interactions energy: -51.879
where: short stacking energy: -48.918
Base-Backbone interact. energy: 0.442
local terms energy: -77.748713
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -25.936
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -9.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -547.846914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.846914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.846914 (E_RNA)
where:
Base-Base interactions energy: -394.331
where: short stacking energy: -156.583
Base-Backbone interact. energy: -0.296
local terms energy: -153.219829
where:
bonds (distance) C4'-P energy: -30.619
bonds (distance) P-C4' energy: -29.622
flat angles C4'-P-C4' energy: -25.853
flat angles P-C4'-P energy: -21.661
tors. eta vs tors. theta energy: -45.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -558.972806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.972806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.972806 (E_RNA)
where:
Base-Base interactions energy: -403.400
where: short stacking energy: -159.974
Base-Backbone interact. energy: -1.039
local terms energy: -154.533538
where:
bonds (distance) C4'-P energy: -27.598
bonds (distance) P-C4' energy: -27.405
flat angles C4'-P-C4' energy: -30.523
flat angles P-C4'-P energy: -22.768
tors. eta vs tors. theta energy: -46.240
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: 8
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -543.155290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.155290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.155290 (E_RNA)
where:
Base-Base interactions energy: -398.841
where: short stacking energy: -155.061
Base-Backbone interact. energy: -0.605
local terms energy: -143.709385
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -26.045
flat angles C4'-P-C4' energy: -29.705
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -48.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -551.325861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.325861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.325861 (E_RNA)
where:
Base-Base interactions energy: -402.831
where: short stacking energy: -156.583
Base-Backbone interact. energy: -0.827
local terms energy: -147.667515
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -27.555
flat angles C4'-P-C4' energy: -28.877
flat angles P-C4'-P energy: -19.393
tors. eta vs tors. theta energy: -46.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -497.307962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.307962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.307962 (E_RNA)
where:
Base-Base interactions energy: -366.276
where: short stacking energy: -131.107
Base-Backbone interact. energy: -0.229
local terms energy: -130.803491
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -27.147
flat angles P-C4'-P energy: -21.697
tors. eta vs tors. theta energy: -37.026
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: 5
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -419.001410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.001410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.001410 (E_RNA)
where:
Base-Base interactions energy: -291.588
where: short stacking energy: -120.285
Base-Backbone interact. energy: -0.237
local terms energy: -127.176408
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -27.593
flat angles C4'-P-C4' energy: -25.107
flat angles P-C4'-P energy: -22.127
tors. eta vs tors. theta energy: -31.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -408.280480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.280480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.280480 (E_RNA)
where:
Base-Base interactions energy: -282.306
where: short stacking energy: -114.927
Base-Backbone interact. energy: -0.238
local terms energy: -125.736627
where:
bonds (distance) C4'-P energy: -24.660
bonds (distance) P-C4' energy: -24.637
flat angles C4'-P-C4' energy: -26.224
flat angles P-C4'-P energy: -18.520
tors. eta vs tors. theta energy: -31.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -241.319505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.319505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.319505 (E_RNA)
where:
Base-Base interactions energy: -143.185
where: short stacking energy: -70.780
Base-Backbone interact. energy: -0.389
local terms energy: -97.745187
where:
bonds (distance) C4'-P energy: -19.082
bonds (distance) P-C4' energy: -30.373
flat angles C4'-P-C4' energy: -25.793
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -137.574820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.574820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.574820 (E_RNA)
where:
Base-Base interactions energy: -54.987
where: short stacking energy: -50.497
Base-Backbone interact. energy: -0.651
local terms energy: -81.935928
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -24.484
flat angles C4'-P-C4' energy: -20.531
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: 2.446
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: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -206.171881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.171881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.171881 (E_RNA)
where:
Base-Base interactions energy: -112.216
where: short stacking energy: -60.517
Base-Backbone interact. energy: -0.478
local terms energy: -93.477572
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -26.478
flat angles C4'-P-C4' energy: -26.529
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -8.425
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: 7
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -563.769582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.769582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.769582 (E_RNA)
where:
Base-Base interactions energy: -405.855
where: short stacking energy: -161.701
Base-Backbone interact. energy: -0.297
local terms energy: -157.617375
where:
bonds (distance) C4'-P energy: -28.585
bonds (distance) P-C4' energy: -27.050
flat angles C4'-P-C4' energy: -32.269
flat angles P-C4'-P energy: -22.478
tors. eta vs tors. theta energy: -47.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -543.794870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.794870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.794870 (E_RNA)
where:
Base-Base interactions energy: -397.693
where: short stacking energy: -155.407
Base-Backbone interact. energy: -0.521
local terms energy: -145.580759
where:
bonds (distance) C4'-P energy: -25.024
bonds (distance) P-C4' energy: -26.178
flat angles C4'-P-C4' energy: -29.869
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -45.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -550.126248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.126248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.126248 (E_RNA)
where:
Base-Base interactions energy: -401.869
where: short stacking energy: -155.332
Base-Backbone interact. energy: -0.173
local terms energy: -148.084006
where:
bonds (distance) C4'-P energy: -23.332
bonds (distance) P-C4' energy: -26.802
flat angles C4'-P-C4' energy: -29.826
flat angles P-C4'-P energy: -20.794
tors. eta vs tors. theta energy: -47.330
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: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -544.160057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.160057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.160057 (E_RNA)
where:
Base-Base interactions energy: -384.018
where: short stacking energy: -150.046
Base-Backbone interact. energy: -1.259
local terms energy: -158.883221
where:
bonds (distance) C4'-P energy: -26.093
bonds (distance) P-C4' energy: -27.153
flat angles C4'-P-C4' energy: -32.730
flat angles P-C4'-P energy: -24.897
tors. eta vs tors. theta energy: -48.010
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: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -495.057944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.057944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.057944 (E_RNA)
where:
Base-Base interactions energy: -364.835
where: short stacking energy: -128.016
Base-Backbone interact. energy: -1.033
local terms energy: -129.189856
where:
bonds (distance) C4'-P energy: -18.809
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -31.042
flat angles P-C4'-P energy: -23.400
tors. eta vs tors. theta energy: -37.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -403.548251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.548251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.548251 (E_RNA)
where:
Base-Base interactions energy: -292.254
where: short stacking energy: -111.680
Base-Backbone interact. energy: 0.494
local terms energy: -111.787946
where:
bonds (distance) C4'-P energy: -23.198
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -21.372
tors. eta vs tors. theta energy: -28.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -415.470401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.470401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.470401 (E_RNA)
where:
Base-Base interactions energy: -287.266
where: short stacking energy: -116.818
Base-Backbone interact. energy: -0.010
local terms energy: -128.194463
where:
bonds (distance) C4'-P energy: -26.817
bonds (distance) P-C4' energy: -23.716
flat angles C4'-P-C4' energy: -26.631
flat angles P-C4'-P energy: -19.737
tors. eta vs tors. theta energy: -31.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -227.581980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.581980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.581980 (E_RNA)
where:
Base-Base interactions energy: -123.027
where: short stacking energy: -63.857
Base-Backbone interact. energy: -1.443
local terms energy: -103.111682
where:
bonds (distance) C4'-P energy: -22.628
bonds (distance) P-C4' energy: -25.231
flat angles C4'-P-C4' energy: -26.854
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -10.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -211.896953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.896953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.896953 (E_RNA)
where:
Base-Base interactions energy: -128.722
where: short stacking energy: -64.259
Base-Backbone interact. energy: 2.811
local terms energy: -85.986479
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -28.674
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -16.367
tors. eta vs tors. theta energy: -5.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -129.354530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.354530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.354530 (E_RNA)
where:
Base-Base interactions energy: -58.334
where: short stacking energy: -53.416
Base-Backbone interact. energy: 1.270
local terms energy: -72.290036
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -10.179
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: 1, replica: 7
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -560.420804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.420804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.420804 (E_RNA)
where:
Base-Base interactions energy: -407.851
where: short stacking energy: -158.772
Base-Backbone interact. energy: -1.729
local terms energy: -150.841015
where:
bonds (distance) C4'-P energy: -24.091
bonds (distance) P-C4' energy: -26.706
flat angles C4'-P-C4' energy: -30.219
flat angles P-C4'-P energy: -23.002
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: 2, replica: 8
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -547.651178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.651178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.651178 (E_RNA)
where:
Base-Base interactions energy: -401.000
where: short stacking energy: -151.112
Base-Backbone interact. energy: -1.390
local terms energy: -145.260802
where:
bonds (distance) C4'-P energy: -26.307
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -27.755
flat angles P-C4'-P energy: -22.419
tors. eta vs tors. theta energy: -45.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -557.844874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.844874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.844874 (E_RNA)
where:
Base-Base interactions energy: -402.286
where: short stacking energy: -155.096
Base-Backbone interact. energy: -0.472
local terms energy: -155.086232
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -26.601
flat angles C4'-P-C4' energy: -31.181
flat angles P-C4'-P energy: -27.246
tors. eta vs tors. theta energy: -46.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -542.187270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.187270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.187270 (E_RNA)
where:
Base-Base interactions energy: -387.363
where: short stacking energy: -148.919
Base-Backbone interact. energy: -0.757
local terms energy: -154.067886
where:
bonds (distance) C4'-P energy: -28.278
bonds (distance) P-C4' energy: -27.742
flat angles C4'-P-C4' energy: -30.065
flat angles P-C4'-P energy: -21.074
tors. eta vs tors. theta energy: -46.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -491.064779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.064779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.064779 (E_RNA)
where:
Base-Base interactions energy: -365.054
where: short stacking energy: -138.489
Base-Backbone interact. energy: 0.103
local terms energy: -126.114203
where:
bonds (distance) C4'-P energy: -19.348
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -28.838
flat angles P-C4'-P energy: -24.143
tors. eta vs tors. theta energy: -38.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -423.525390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.525390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.525390 (E_RNA)
where:
Base-Base interactions energy: -297.816
where: short stacking energy: -124.116
Base-Backbone interact. energy: 4.309
local terms energy: -130.018695
where:
bonds (distance) C4'-P energy: -23.384
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -28.328
flat angles P-C4'-P energy: -16.026
tors. eta vs tors. theta energy: -38.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -412.600048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.600048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.600048 (E_RNA)
where:
Base-Base interactions energy: -297.980
where: short stacking energy: -139.557
Base-Backbone interact. energy: -0.178
local terms energy: -114.441747
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -37.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -219.137913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.137913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.137913 (E_RNA)
where:
Base-Base interactions energy: -119.286
where: short stacking energy: -65.954
Base-Backbone interact. energy: -0.318
local terms energy: -99.534350
where:
bonds (distance) C4'-P energy: -25.259
bonds (distance) P-C4' energy: -24.180
flat angles C4'-P-C4' energy: -21.859
flat angles P-C4'-P energy: -18.962
tors. eta vs tors. theta energy: -9.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -212.930203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.930203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.930203 (E_RNA)
where:
Base-Base interactions energy: -115.066
where: short stacking energy: -53.402
Base-Backbone interact. energy: -1.329
local terms energy: -96.534773
where:
bonds (distance) C4'-P energy: -24.872
bonds (distance) P-C4' energy: -30.862
flat angles C4'-P-C4' energy: -20.988
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -4.967
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: 10, replica: 2
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -119.810112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.810112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.810112 (E_RNA)
where:
Base-Base interactions energy: -37.426
where: short stacking energy: -33.200
Base-Backbone interact. energy: -0.535
local terms energy: -81.848956
where:
bonds (distance) C4'-P energy: -25.161
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -28.740
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: 1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -559.115385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.115385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.115385 (E_RNA)
where:
Base-Base interactions energy: -400.277
where: short stacking energy: -154.289
Base-Backbone interact. energy: -2.687
local terms energy: -156.151485
where:
bonds (distance) C4'-P energy: -26.077
bonds (distance) P-C4' energy: -28.016
flat angles C4'-P-C4' energy: -31.534
flat angles P-C4'-P energy: -23.427
tors. eta vs tors. theta energy: -47.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -560.817576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.817576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.817576 (E_RNA)
where:
Base-Base interactions energy: -404.759
where: short stacking energy: -159.443
Base-Backbone interact. energy: -1.189
local terms energy: -154.869001
where:
bonds (distance) C4'-P energy: -24.034
bonds (distance) P-C4' energy: -29.052
flat angles C4'-P-C4' energy: -30.283
flat angles P-C4'-P energy: -22.218
tors. eta vs tors. theta energy: -49.282
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: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -556.305640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.305640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.305640 (E_RNA)
where:
Base-Base interactions energy: -411.121
where: short stacking energy: -160.696
Base-Backbone interact. energy: -0.766
local terms energy: -144.418966
where:
bonds (distance) C4'-P energy: -23.845
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -29.114
flat angles P-C4'-P energy: -22.855
tors. eta vs tors. theta energy: -47.499
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: 38
Temperature: 1.050000
Total energy: -542.863068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.863068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.863068 (E_RNA)
where:
Base-Base interactions energy: -394.381
where: short stacking energy: -156.873
Base-Backbone interact. energy: -0.777
local terms energy: -147.704857
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -26.955
flat angles C4'-P-C4' energy: -28.990
flat angles P-C4'-P energy: -17.894
tors. eta vs tors. theta energy: -48.265
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: 3
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -440.512454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.512454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.512454 (E_RNA)
where:
Base-Base interactions energy: -313.528
where: short stacking energy: -135.711
Base-Backbone interact. energy: 1.287
local terms energy: -128.272039
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -26.237
flat angles C4'-P-C4' energy: -24.418
flat angles P-C4'-P energy: -16.812
tors. eta vs tors. theta energy: -40.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -496.096048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.096048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.096048 (E_RNA)
where:
Base-Base interactions energy: -351.195
where: short stacking energy: -134.297
Base-Backbone interact. energy: -0.077
local terms energy: -144.823974
where:
bonds (distance) C4'-P energy: -31.287
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -29.786
flat angles P-C4'-P energy: -21.053
tors. eta vs tors. theta energy: -40.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -397.940919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.940919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.940919 (E_RNA)
where:
Base-Base interactions energy: -273.511
where: short stacking energy: -108.134
Base-Backbone interact. energy: -0.209
local terms energy: -124.220320
where:
bonds (distance) C4'-P energy: -23.088
bonds (distance) P-C4' energy: -28.314
flat angles C4'-P-C4' energy: -22.745
flat angles P-C4'-P energy: -16.294
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: 8, replica: 9
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -223.683251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.683251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.683251 (E_RNA)
where:
Base-Base interactions energy: -125.355
where: short stacking energy: -54.962
Base-Backbone interact. energy: -0.802
local terms energy: -97.525481
where:
bonds (distance) C4'-P energy: -26.866
bonds (distance) P-C4' energy: -29.809
flat angles C4'-P-C4' energy: -26.174
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -259.056555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.056555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.056555 (E_RNA)
where:
Base-Base interactions energy: -174.081
where: short stacking energy: -82.099
Base-Backbone interact. energy: 0.771
local terms energy: -85.745911
where:
bonds (distance) C4'-P energy: -23.326
bonds (distance) P-C4' energy: -23.530
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -8.957
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: 2
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -150.626508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.626508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.626508 (E_RNA)
where:
Base-Base interactions energy: -66.892
where: short stacking energy: -53.473
Base-Backbone interact. energy: -0.239
local terms energy: -83.495420
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -22.844
flat angles C4'-P-C4' energy: -23.788
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -559.999423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.999423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.999423 (E_RNA)
where:
Base-Base interactions energy: -397.110
where: short stacking energy: -152.493
Base-Backbone interact. energy: -1.366
local terms energy: -161.523479
where:
bonds (distance) C4'-P energy: -29.745
bonds (distance) P-C4' energy: -31.992
flat angles C4'-P-C4' energy: -28.694
flat angles P-C4'-P energy: -24.816
tors. eta vs tors. theta energy: -46.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -555.298542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.298542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.298542 (E_RNA)
where:
Base-Base interactions energy: -401.689
where: short stacking energy: -155.801
Base-Backbone interact. energy: -0.724
local terms energy: -152.885439
where:
bonds (distance) C4'-P energy: -28.533
bonds (distance) P-C4' energy: -23.801
flat angles C4'-P-C4' energy: -31.234
flat angles P-C4'-P energy: -22.604
tors. eta vs tors. theta energy: -46.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -551.404342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.404342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.404342 (E_RNA)
where:
Base-Base interactions energy: -400.920
where: short stacking energy: -157.353
Base-Backbone interact. energy: -0.966
local terms energy: -149.518271
where:
bonds (distance) C4'-P energy: -25.410
bonds (distance) P-C4' energy: -28.740
flat angles C4'-P-C4' energy: -25.961
flat angles P-C4'-P energy: -23.708
tors. eta vs tors. theta energy: -45.699
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: 4
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -548.921482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.921482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.921482 (E_RNA)
where:
Base-Base interactions energy: -396.504
where: short stacking energy: -155.335
Base-Backbone interact. energy: -0.350
local terms energy: -152.067572
where:
bonds (distance) C4'-P energy: -27.363
bonds (distance) P-C4' energy: -26.063
flat angles C4'-P-C4' energy: -29.893
flat angles P-C4'-P energy: -21.916
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: 5, replica: 3
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -457.225521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.225521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.225521 (E_RNA)
where:
Base-Base interactions energy: -324.047
where: short stacking energy: -124.685
Base-Backbone interact. energy: -0.317
local terms energy: -132.861051
where:
bonds (distance) C4'-P energy: -26.897
bonds (distance) P-C4' energy: -24.921
flat angles C4'-P-C4' energy: -28.817
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -36.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -512.813013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.813013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.813013 (E_RNA)
where:
Base-Base interactions energy: -379.750
where: short stacking energy: -148.502
Base-Backbone interact. energy: -0.075
local terms energy: -132.988358
where:
bonds (distance) C4'-P energy: -23.932
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -27.747
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: -42.451
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: 5
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -387.045805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.045805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.045805 (E_RNA)
where:
Base-Base interactions energy: -250.143
where: short stacking energy: -101.811
Base-Backbone interact. energy: -0.021
local terms energy: -136.881210
where:
bonds (distance) C4'-P energy: -25.371
bonds (distance) P-C4' energy: -23.272
flat angles C4'-P-C4' energy: -32.684
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -33.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -304.583474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.583474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.583474 (E_RNA)
where:
Base-Base interactions energy: -197.368
where: short stacking energy: -87.318
Base-Backbone interact. energy: -0.420
local terms energy: -106.796457
where:
bonds (distance) C4'-P energy: -23.105
bonds (distance) P-C4' energy: -22.879
flat angles C4'-P-C4' energy: -29.302
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -14.440
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: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -198.772188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.772188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.772188 (E_RNA)
where:
Base-Base interactions energy: -100.821
where: short stacking energy: -58.815
Base-Backbone interact. energy: -0.359
local terms energy: -97.592430
where:
bonds (distance) C4'-P energy: -25.315
bonds (distance) P-C4' energy: -25.096
flat angles C4'-P-C4' energy: -28.923
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -4.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -137.980842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.980842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.980842 (E_RNA)
where:
Base-Base interactions energy: -57.303
where: short stacking energy: -53.923
Base-Backbone interact. energy: 2.622
local terms energy: -83.300238
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -25.446
flat angles C4'-P-C4' energy: -22.589
flat angles P-C4'-P energy: -11.930
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: 1, replica: 7
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -560.770404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.770404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.770404 (E_RNA)
where:
Base-Base interactions energy: -402.642
where: short stacking energy: -149.893
Base-Backbone interact. energy: -0.602
local terms energy: -157.525970
where:
bonds (distance) C4'-P energy: -28.767
bonds (distance) P-C4' energy: -27.094
flat angles C4'-P-C4' energy: -30.384
flat angles P-C4'-P energy: -24.687
tors. eta vs tors. theta energy: -46.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -553.880936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.880936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.880936 (E_RNA)
where:
Base-Base interactions energy: -399.701
where: short stacking energy: -157.887
Base-Backbone interact. energy: -0.004
local terms energy: -154.175713
where:
bonds (distance) C4'-P energy: -26.101
bonds (distance) P-C4' energy: -26.586
flat angles C4'-P-C4' energy: -32.339
flat angles P-C4'-P energy: -22.790
tors. eta vs tors. theta energy: -46.359
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: 3, replica: 8
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -552.214658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.214658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.214658 (E_RNA)
where:
Base-Base interactions energy: -398.812
where: short stacking energy: -158.472
Base-Backbone interact. energy: -2.098
local terms energy: -151.305379
where:
bonds (distance) C4'-P energy: -28.767
bonds (distance) P-C4' energy: -25.405
flat angles C4'-P-C4' energy: -28.386
flat angles P-C4'-P energy: -23.189
tors. eta vs tors. theta energy: -45.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -545.136616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.136616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.136616 (E_RNA)
where:
Base-Base interactions energy: -400.521
where: short stacking energy: -158.018
Base-Backbone interact. energy: -0.699
local terms energy: -143.916945
where:
bonds (distance) C4'-P energy: -25.584
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -30.484
flat angles P-C4'-P energy: -24.367
tors. eta vs tors. theta energy: -47.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -535.377551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.377551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.377551 (E_RNA)
where:
Base-Base interactions energy: -392.672
where: short stacking energy: -156.862
Base-Backbone interact. energy: -1.312
local terms energy: -141.393257
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -25.161
flat angles C4'-P-C4' energy: -27.126
flat angles P-C4'-P energy: -18.809
tors. eta vs tors. theta energy: -46.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -453.434244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.434244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.434244 (E_RNA)
where:
Base-Base interactions energy: -318.150
where: short stacking energy: -136.608
Base-Backbone interact. energy: -0.191
local terms energy: -135.093800
where:
bonds (distance) C4'-P energy: -23.839
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -29.896
flat angles P-C4'-P energy: -22.137
tors. eta vs tors. theta energy: -41.532
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: 5
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -418.367264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.367264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.367264 (E_RNA)
where:
Base-Base interactions energy: -290.185
where: short stacking energy: -123.180
Base-Backbone interact. energy: -0.674
local terms energy: -127.508493
where:
bonds (distance) C4'-P energy: -21.630
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -29.589
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -37.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -352.727962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.727962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.727962 (E_RNA)
where:
Base-Base interactions energy: -250.751
where: short stacking energy: -95.633
Base-Backbone interact. energy: -0.155
local terms energy: -101.821927
where:
bonds (distance) C4'-P energy: -21.859
bonds (distance) P-C4' energy: -24.728
flat angles C4'-P-C4' energy: -21.829
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -19.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -221.891328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.891328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.891328 (E_RNA)
where:
Base-Base interactions energy: -126.380
where: short stacking energy: -57.264
Base-Backbone interact. energy: -1.224
local terms energy: -94.286619
where:
bonds (distance) C4'-P energy: -29.565
bonds (distance) P-C4' energy: -25.551
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -21.517
tors. eta vs tors. theta energy: 0.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -129.894612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.894612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.894612 (E_RNA)
where:
Base-Base interactions energy: -52.705
where: short stacking energy: -34.434
Base-Backbone interact. energy: -0.430
local terms energy: -76.760193
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -25.245
flat angles C4'-P-C4' energy: -21.248
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -4.566
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: 7
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -562.611746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.611746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.611746 (E_RNA)
where:
Base-Base interactions energy: -403.946
where: short stacking energy: -153.820
Base-Backbone interact. energy: -1.860
local terms energy: -156.805764
where:
bonds (distance) C4'-P energy: -26.558
bonds (distance) P-C4' energy: -26.791
flat angles C4'-P-C4' energy: -32.446
flat angles P-C4'-P energy: -24.582
tors. eta vs tors. theta energy: -46.428
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: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -557.790123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.790123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.790123 (E_RNA)
where:
Base-Base interactions energy: -408.383
where: short stacking energy: -158.012
Base-Backbone interact. energy: -1.036
local terms energy: -148.371131
where:
bonds (distance) C4'-P energy: -24.067
bonds (distance) P-C4' energy: -27.175
flat angles C4'-P-C4' energy: -26.108
flat angles P-C4'-P energy: -22.737
tors. eta vs tors. theta energy: -48.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -557.557764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.557764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.557764 (E_RNA)
where:
Base-Base interactions energy: -407.835
where: short stacking energy: -159.997
Base-Backbone interact. energy: -1.347
local terms energy: -148.375080
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -26.769
flat angles C4'-P-C4' energy: -31.463
flat angles P-C4'-P energy: -24.308
tors. eta vs tors. theta energy: -48.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -543.518327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.518327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.518327 (E_RNA)
where:
Base-Base interactions energy: -396.412
where: short stacking energy: -157.333
Base-Backbone interact. energy: -0.430
local terms energy: -146.676290
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -24.960
flat angles C4'-P-C4' energy: -27.875
flat angles P-C4'-P energy: -25.326
tors. eta vs tors. theta energy: -46.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -531.445265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.445265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.445265 (E_RNA)
where:
Base-Base interactions energy: -394.560
where: short stacking energy: -156.059
Base-Backbone interact. energy: -0.306
local terms energy: -136.579208
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -26.447
flat angles C4'-P-C4' energy: -26.241
flat angles P-C4'-P energy: -20.705
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: 6, replica: 3
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -441.733851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.733851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.733851 (E_RNA)
where:
Base-Base interactions energy: -311.608
where: short stacking energy: -131.077
Base-Backbone interact. energy: -0.523
local terms energy: -129.602655
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -22.265
flat angles C4'-P-C4' energy: -30.462
flat angles P-C4'-P energy: -19.933
tors. eta vs tors. theta energy: -33.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -439.302385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.302385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.302385 (E_RNA)
where:
Base-Base interactions energy: -308.732
where: short stacking energy: -129.872
Base-Backbone interact. energy: -0.140
local terms energy: -130.430482
where:
bonds (distance) C4'-P energy: -23.344
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -29.541
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -34.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -435.726902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.726902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.726902 (E_RNA)
where:
Base-Base interactions energy: -311.465
where: short stacking energy: -125.281
Base-Backbone interact. energy: -0.972
local terms energy: -123.289743
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -25.382
flat angles C4'-P-C4' energy: -28.900
flat angles P-C4'-P energy: -17.103
tors. eta vs tors. theta energy: -35.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -214.754669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.754669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.754669 (E_RNA)
where:
Base-Base interactions energy: -129.439
where: short stacking energy: -70.341
Base-Backbone interact. energy: -0.026
local terms energy: -85.290249
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -23.987
flat angles C4'-P-C4' energy: -24.331
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -11.265
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: 41
Temperature: 1.350000
Total energy: -169.693719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.693719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.693719 (E_RNA)
where:
Base-Base interactions energy: -85.746
where: short stacking energy: -34.976
Base-Backbone interact. energy: -0.001
local terms energy: -83.946255
where:
bonds (distance) C4'-P energy: -32.368
bonds (distance) P-C4' energy: -24.009
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: 3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -567.575596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.575596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.575596 (E_RNA)
where:
Base-Base interactions energy: -413.102
where: short stacking energy: -163.692
Base-Backbone interact. energy: -0.755
local terms energy: -153.719088
where:
bonds (distance) C4'-P energy: -23.872
bonds (distance) P-C4' energy: -26.254
flat angles C4'-P-C4' energy: -34.164
flat angles P-C4'-P energy: -23.129
tors. eta vs tors. theta energy: -46.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -554.903968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.903968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.903968 (E_RNA)
where:
Base-Base interactions energy: -406.065
where: short stacking energy: -160.070
Base-Backbone interact. energy: -0.431
local terms energy: -148.407574
where:
bonds (distance) C4'-P energy: -25.761
bonds (distance) P-C4' energy: -21.795
flat angles C4'-P-C4' energy: -30.156
flat angles P-C4'-P energy: -23.918
tors. eta vs tors. theta energy: -46.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -547.797541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.797541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.797541 (E_RNA)
where:
Base-Base interactions energy: -395.872
where: short stacking energy: -161.299
Base-Backbone interact. energy: -0.362
local terms energy: -151.563836
where:
bonds (distance) C4'-P energy: -25.274
bonds (distance) P-C4' energy: -29.116
flat angles C4'-P-C4' energy: -29.405
flat angles P-C4'-P energy: -21.396
tors. eta vs tors. theta energy: -46.373
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: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -540.172058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.172058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.172058 (E_RNA)
where:
Base-Base interactions energy: -396.219
where: short stacking energy: -161.491
Base-Backbone interact. energy: -0.643
local terms energy: -143.310642
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -26.971
flat angles C4'-P-C4' energy: -30.527
flat angles P-C4'-P energy: -23.023
tors. eta vs tors. theta energy: -47.199
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: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -537.546759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.546759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.546759 (E_RNA)
where:
Base-Base interactions energy: -391.123
where: short stacking energy: -152.084
Base-Backbone interact. energy: -0.428
local terms energy: -145.995425
where:
bonds (distance) C4'-P energy: -28.721
bonds (distance) P-C4' energy: -26.418
flat angles C4'-P-C4' energy: -26.570
flat angles P-C4'-P energy: -20.149
tors. eta vs tors. theta energy: -44.137
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: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -430.583070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.583070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.583070 (E_RNA)
where:
Base-Base interactions energy: -290.988
where: short stacking energy: -125.175
Base-Backbone interact. energy: -0.251
local terms energy: -139.344199
where:
bonds (distance) C4'-P energy: -22.192
bonds (distance) P-C4' energy: -31.958
flat angles C4'-P-C4' energy: -31.307
flat angles P-C4'-P energy: -19.545
tors. eta vs tors. theta energy: -34.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -505.643696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.643696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.643696 (E_RNA)
where:
Base-Base interactions energy: -370.980
where: short stacking energy: -146.919
Base-Backbone interact. energy: -0.292
local terms energy: -134.372015
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -27.891
flat angles C4'-P-C4' energy: -27.467
flat angles P-C4'-P energy: -16.101
tors. eta vs tors. theta energy: -41.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -382.103557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.103557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.103557 (E_RNA)
where:
Base-Base interactions energy: -265.539
where: short stacking energy: -110.551
Base-Backbone interact. energy: 0.079
local terms energy: -116.643599
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -26.976
flat angles C4'-P-C4' energy: -27.453
flat angles P-C4'-P energy: -15.674
tors. eta vs tors. theta energy: -30.516
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: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -223.459991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.459991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.459991 (E_RNA)
where:
Base-Base interactions energy: -129.049
where: short stacking energy: -70.543
Base-Backbone interact. energy: 2.395
local terms energy: -96.805362
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -25.492
flat angles P-C4'-P energy: -20.049
tors. eta vs tors. theta energy: -15.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -124.018299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.018299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.018299 (E_RNA)
where:
Base-Base interactions energy: -48.140
where: short stacking energy: -48.140
Base-Backbone interact. energy: -0.470
local terms energy: -75.407992
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -30.220
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -4.737
tors. eta vs tors. theta energy: -0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -564.796622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.796622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.796622 (E_RNA)
where:
Base-Base interactions energy: -408.931
where: short stacking energy: -161.535
Base-Backbone interact. energy: -0.036
local terms energy: -155.830391
where:
bonds (distance) C4'-P energy: -24.328
bonds (distance) P-C4' energy: -29.689
flat angles C4'-P-C4' energy: -31.603
flat angles P-C4'-P energy: -21.639
tors. eta vs tors. theta energy: -48.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -556.192200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.192200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.192200 (E_RNA)
where:
Base-Base interactions energy: -400.852
where: short stacking energy: -156.162
Base-Backbone interact. energy: -0.742
local terms energy: -154.597820
where:
bonds (distance) C4'-P energy: -29.799
bonds (distance) P-C4' energy: -30.358
flat angles C4'-P-C4' energy: -27.881
flat angles P-C4'-P energy: -20.129
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: 3, replica: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -549.878873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.878873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.878873 (E_RNA)
where:
Base-Base interactions energy: -395.257
where: short stacking energy: -151.985
Base-Backbone interact. energy: -1.109
local terms energy: -153.512465
where:
bonds (distance) C4'-P energy: -29.955
bonds (distance) P-C4' energy: -27.728
flat angles C4'-P-C4' energy: -29.653
flat angles P-C4'-P energy: -18.780
tors. eta vs tors. theta energy: -47.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -533.226351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.226351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.226351 (E_RNA)
where:
Base-Base interactions energy: -383.228
where: short stacking energy: -145.765
Base-Backbone interact. energy: -0.852
local terms energy: -149.146639
where:
bonds (distance) C4'-P energy: -26.987
bonds (distance) P-C4' energy: -28.007
flat angles C4'-P-C4' energy: -27.939
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -43.558
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: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -544.494356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.494356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.494356 (E_RNA)
where:
Base-Base interactions energy: -394.170
where: short stacking energy: -160.341
Base-Backbone interact. energy: -2.088
local terms energy: -148.236987
where:
bonds (distance) C4'-P energy: -24.883
bonds (distance) P-C4' energy: -22.240
flat angles C4'-P-C4' energy: -32.215
flat angles P-C4'-P energy: -22.346
tors. eta vs tors. theta energy: -46.552
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: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -533.382757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.382757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.382757 (E_RNA)
where:
Base-Base interactions energy: -378.265
where: short stacking energy: -147.573
Base-Backbone interact. energy: -0.868
local terms energy: -154.249920
where:
bonds (distance) C4'-P energy: -25.509
bonds (distance) P-C4' energy: -28.698
flat angles C4'-P-C4' energy: -32.312
flat angles P-C4'-P energy: -22.902
tors. eta vs tors. theta energy: -44.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -434.878985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.878985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.878985 (E_RNA)
where:
Base-Base interactions energy: -302.024
where: short stacking energy: -129.430
Base-Backbone interact. energy: -0.054
local terms energy: -132.800487
where:
bonds (distance) C4'-P energy: -23.935
bonds (distance) P-C4' energy: -26.653
flat angles C4'-P-C4' energy: -27.248
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -41.049
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: 8, replica: 5
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -393.884824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.884824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.884824 (E_RNA)
where:
Base-Base interactions energy: -278.494
where: short stacking energy: -112.353
Base-Backbone interact. energy: -0.945
local terms energy: -114.445500
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -22.614
flat angles P-C4'-P energy: -17.219
tors. eta vs tors. theta energy: -31.303
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: 43
Temperature: 1.300000
Total energy: -246.134842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.134842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.134842 (E_RNA)
where:
Base-Base interactions energy: -154.142
where: short stacking energy: -65.428
Base-Backbone interact. energy: -1.601
local terms energy: -90.391793
where:
bonds (distance) C4'-P energy: -19.584
bonds (distance) P-C4' energy: -25.395
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -10.750
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: 2
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -131.893251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.893251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.893251 (E_RNA)
where:
Base-Base interactions energy: -53.065
where: short stacking energy: -36.710
Base-Backbone interact. energy: -0.076
local terms energy: -78.752076
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -30.517
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: 0.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -564.196868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.196868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.196868 (E_RNA)
where:
Base-Base interactions energy: -404.446
where: short stacking energy: -158.491
Base-Backbone interact. energy: -1.414
local terms energy: -158.337670
where:
bonds (distance) C4'-P energy: -30.366
bonds (distance) P-C4' energy: -25.367
flat angles C4'-P-C4' energy: -30.932
flat angles P-C4'-P energy: -23.344
tors. eta vs tors. theta energy: -48.328
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: 7
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -555.972297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.972297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.972297 (E_RNA)
where:
Base-Base interactions energy: -398.980
where: short stacking energy: -156.524
Base-Backbone interact. energy: -0.325
local terms energy: -156.666857
where:
bonds (distance) C4'-P energy: -27.029
bonds (distance) P-C4' energy: -30.306
flat angles C4'-P-C4' energy: -29.700
flat angles P-C4'-P energy: -23.418
tors. eta vs tors. theta energy: -46.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -554.226429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.226429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.226429 (E_RNA)
where:
Base-Base interactions energy: -402.623
where: short stacking energy: -157.903
Base-Backbone interact. energy: -1.630
local terms energy: -149.973492
where:
bonds (distance) C4'-P energy: -23.862
bonds (distance) P-C4' energy: -28.145
flat angles C4'-P-C4' energy: -28.524
flat angles P-C4'-P energy: -23.177
tors. eta vs tors. theta energy: -46.266
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: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -545.026202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.026202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.026202 (E_RNA)
where:
Base-Base interactions energy: -397.186
where: short stacking energy: -157.552
Base-Backbone interact. energy: -0.495
local terms energy: -147.344963
where:
bonds (distance) C4'-P energy: -22.248
bonds (distance) P-C4' energy: -22.999
flat angles C4'-P-C4' energy: -29.726
flat angles P-C4'-P energy: -23.994
tors. eta vs tors. theta energy: -48.379
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: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -530.027634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.027634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.027634 (E_RNA)
where:
Base-Base interactions energy: -382.142
where: short stacking energy: -148.879
Base-Backbone interact. energy: -0.559
local terms energy: -147.326842
where:
bonds (distance) C4'-P energy: -25.977
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -31.744
flat angles P-C4'-P energy: -19.841
tors. eta vs tors. theta energy: -46.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -520.886818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.886818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.886818 (E_RNA)
where:
Base-Base interactions energy: -384.517
where: short stacking energy: -150.364
Base-Backbone interact. energy: -0.576
local terms energy: -135.793560
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -25.502
flat angles C4'-P-C4' energy: -29.172
flat angles P-C4'-P energy: -15.567
tors. eta vs tors. theta energy: -44.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -424.386055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.386055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.386055 (E_RNA)
where:
Base-Base interactions energy: -304.264
where: short stacking energy: -123.790
Base-Backbone interact. energy: -0.428
local terms energy: -119.694273
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -29.386
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -34.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -432.182891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.182891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.182891 (E_RNA)
where:
Base-Base interactions energy: -316.891
where: short stacking energy: -123.998
Base-Backbone interact. energy: 1.573
local terms energy: -116.864743
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -23.531
flat angles P-C4'-P energy: -17.125
tors. eta vs tors. theta energy: -34.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -243.560862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.560862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.560862 (E_RNA)
where:
Base-Base interactions energy: -150.712
where: short stacking energy: -67.856
Base-Backbone interact. energy: -1.705
local terms energy: -91.144211
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -25.659
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -16.211
tors. eta vs tors. theta energy: -8.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -139.340116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.340116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.340116 (E_RNA)
where:
Base-Base interactions energy: -61.257
where: short stacking energy: -48.380
Base-Backbone interact. energy: -0.826
local terms energy: -77.257610
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -23.702
flat angles C4'-P-C4' energy: -22.908
flat angles P-C4'-P energy: -5.184
tors. eta vs tors. theta energy: -4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -566.539620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.539620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.539620 (E_RNA)
where:
Base-Base interactions energy: -405.921
where: short stacking energy: -155.669
Base-Backbone interact. energy: -0.202
local terms energy: -160.417067
where:
bonds (distance) C4'-P energy: -26.735
bonds (distance) P-C4' energy: -31.489
flat angles C4'-P-C4' energy: -31.821
flat angles P-C4'-P energy: -22.579
tors. eta vs tors. theta energy: -47.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -560.091158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.091158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.091158 (E_RNA)
where:
Base-Base interactions energy: -402.817
where: short stacking energy: -162.745
Base-Backbone interact. energy: -1.202
local terms energy: -156.072065
where:
bonds (distance) C4'-P energy: -20.738
bonds (distance) P-C4' energy: -29.636
flat angles C4'-P-C4' energy: -33.251
flat angles P-C4'-P energy: -25.004
tors. eta vs tors. theta energy: -47.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -554.917066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.917066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.917066 (E_RNA)
where:
Base-Base interactions energy: -401.058
where: short stacking energy: -162.379
Base-Backbone interact. energy: -1.080
local terms energy: -152.779088
where:
bonds (distance) C4'-P energy: -27.172
bonds (distance) P-C4' energy: -26.133
flat angles C4'-P-C4' energy: -31.974
flat angles P-C4'-P energy: -21.846
tors. eta vs tors. theta energy: -45.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -542.649290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.649290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.649290 (E_RNA)
where:
Base-Base interactions energy: -384.242
where: short stacking energy: -151.855
Base-Backbone interact. energy: -0.559
local terms energy: -157.848176
where:
bonds (distance) C4'-P energy: -27.540
bonds (distance) P-C4' energy: -28.273
flat angles C4'-P-C4' energy: -31.019
flat angles P-C4'-P energy: -23.724
tors. eta vs tors. theta energy: -47.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -547.293332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.293332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.293332 (E_RNA)
where:
Base-Base interactions energy: -398.447
where: short stacking energy: -157.042
Base-Backbone interact. energy: -0.680
local terms energy: -148.166989
where:
bonds (distance) C4'-P energy: -25.133
bonds (distance) P-C4' energy: -26.789
flat angles C4'-P-C4' energy: -28.497
flat angles P-C4'-P energy: -19.974
tors. eta vs tors. theta energy: -47.775
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: 6, replica: 4
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -534.592965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.592965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.592965 (E_RNA)
where:
Base-Base interactions energy: -386.302
where: short stacking energy: -148.637
Base-Backbone interact. energy: -0.587
local terms energy: -147.704807
where:
bonds (distance) C4'-P energy: -25.654
bonds (distance) P-C4' energy: -23.796
flat angles C4'-P-C4' energy: -28.455
flat angles P-C4'-P energy: -22.564
tors. eta vs tors. theta energy: -47.236
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: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -511.322598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.322598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.322598 (E_RNA)
where:
Base-Base interactions energy: -378.330
where: short stacking energy: -144.333
Base-Backbone interact. energy: -0.430
local terms energy: -132.562773
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -20.671
flat angles C4'-P-C4' energy: -25.128
flat angles P-C4'-P energy: -21.589
tors. eta vs tors. theta energy: -45.126
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: 8, replica: 3
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -428.492562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.492562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.492562 (E_RNA)
where:
Base-Base interactions energy: -301.317
where: short stacking energy: -120.609
Base-Backbone interact. energy: -0.403
local terms energy: -126.772101
where:
bonds (distance) C4'-P energy: -22.266
bonds (distance) P-C4' energy: -25.728
flat angles C4'-P-C4' energy: -26.888
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -35.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -275.381564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.381564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.381564 (E_RNA)
where:
Base-Base interactions energy: -179.141
where: short stacking energy: -81.830
Base-Backbone interact. energy: -0.883
local terms energy: -95.357798
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -28.706
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -15.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -145.116357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.116357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.116357 (E_RNA)
where:
Base-Base interactions energy: -60.113
where: short stacking energy: -54.197
Base-Backbone interact. energy: 1.229
local terms energy: -86.232243
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -17.423
tors. eta vs tors. theta energy: -7.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -565.974582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.974582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.974582 (E_RNA)
where:
Base-Base interactions energy: -405.086
where: short stacking energy: -155.941
Base-Backbone interact. energy: -0.043
local terms energy: -160.845672
where:
bonds (distance) C4'-P energy: -27.653
bonds (distance) P-C4' energy: -30.294
flat angles C4'-P-C4' energy: -30.890
flat angles P-C4'-P energy: -22.815
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: 2, replica: 7
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -560.642831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.642831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.642831 (E_RNA)
where:
Base-Base interactions energy: -406.267
where: short stacking energy: -157.636
Base-Backbone interact. energy: -1.778
local terms energy: -152.597129
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -30.546
flat angles P-C4'-P energy: -26.815
tors. eta vs tors. theta energy: -46.441
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: 3, replica: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -543.094762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.094762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.094762 (E_RNA)
where:
Base-Base interactions energy: -390.051
where: short stacking energy: -147.830
Base-Backbone interact. energy: -0.806
local terms energy: -152.238029
where:
bonds (distance) C4'-P energy: -28.459
bonds (distance) P-C4' energy: -24.543
flat angles C4'-P-C4' energy: -26.683
flat angles P-C4'-P energy: -25.176
tors. eta vs tors. theta energy: -47.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -540.909388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.909388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.909388 (E_RNA)
where:
Base-Base interactions energy: -395.962
where: short stacking energy: -153.901
Base-Backbone interact. energy: -0.001
local terms energy: -144.946558
where:
bonds (distance) C4'-P energy: -24.498
bonds (distance) P-C4' energy: -28.295
flat angles C4'-P-C4' energy: -27.566
flat angles P-C4'-P energy: -19.923
tors. eta vs tors. theta energy: -44.665
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: 46
Temperature: 1.100000
Total energy: -537.369666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.369666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.369666 (E_RNA)
where:
Base-Base interactions energy: -386.941
where: short stacking energy: -149.568
Base-Backbone interact. energy: -0.431
local terms energy: -149.997857
where:
bonds (distance) C4'-P energy: -32.215
bonds (distance) P-C4' energy: -25.705
flat angles C4'-P-C4' energy: -29.120
flat angles P-C4'-P energy: -18.622
tors. eta vs tors. theta energy: -44.336
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: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -534.620605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.620605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.620605 (E_RNA)
where:
Base-Base interactions energy: -379.903
where: short stacking energy: -146.797
Base-Backbone interact. energy: -0.207
local terms energy: -154.509990
where:
bonds (distance) C4'-P energy: -25.061
bonds (distance) P-C4' energy: -29.887
flat angles C4'-P-C4' energy: -27.311
flat angles P-C4'-P energy: -24.098
tors. eta vs tors. theta energy: -48.152
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: 5
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -526.049392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.049392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.049392 (E_RNA)
where:
Base-Base interactions energy: -377.496
where: short stacking energy: -151.669
Base-Backbone interact. energy: -0.242
local terms energy: -148.311488
where:
bonds (distance) C4'-P energy: -26.212
bonds (distance) P-C4' energy: -21.435
flat angles C4'-P-C4' energy: -30.512
flat angles P-C4'-P energy: -21.416
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: 8, replica: 3
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -423.797545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.797545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.797545 (E_RNA)
where:
Base-Base interactions energy: -306.915
where: short stacking energy: -113.452
Base-Backbone interact. energy: -0.244
local terms energy: -116.638385
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -27.158
flat angles P-C4'-P energy: -21.021
tors. eta vs tors. theta energy: -32.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -320.194865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.194865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.194865 (E_RNA)
where:
Base-Base interactions energy: -210.870
where: short stacking energy: -90.808
Base-Backbone interact. energy: -0.661
local terms energy: -108.663363
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -28.560
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -24.482
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: 2
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -129.824638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.824638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.824638 (E_RNA)
where:
Base-Base interactions energy: -48.079
where: short stacking energy: -47.410
Base-Backbone interact. energy: 1.687
local terms energy: -83.433083
where:
bonds (distance) C4'-P energy: -24.575
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -0.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -558.291466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.291466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.291466 (E_RNA)
where:
Base-Base interactions energy: -398.981
where: short stacking energy: -157.978
Base-Backbone interact. energy: -1.466
local terms energy: -157.843807
where:
bonds (distance) C4'-P energy: -28.933
bonds (distance) P-C4' energy: -22.236
flat angles C4'-P-C4' energy: -33.953
flat angles P-C4'-P energy: -23.939
tors. eta vs tors. theta energy: -48.782
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: 10
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -555.058553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.058553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.058553 (E_RNA)
where:
Base-Base interactions energy: -403.601
where: short stacking energy: -153.706
Base-Backbone interact. energy: -0.304
local terms energy: -151.154246
where:
bonds (distance) C4'-P energy: -26.657
bonds (distance) P-C4' energy: -27.015
flat angles C4'-P-C4' energy: -32.475
flat angles P-C4'-P energy: -20.228
tors. eta vs tors. theta energy: -44.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -547.017400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.017400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.017400 (E_RNA)
where:
Base-Base interactions energy: -398.993
where: short stacking energy: -157.222
Base-Backbone interact. energy: -0.668
local terms energy: -147.356311
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -27.275
flat angles C4'-P-C4' energy: -32.706
flat angles P-C4'-P energy: -18.226
tors. eta vs tors. theta energy: -47.048
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: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -545.524824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.524824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.524824 (E_RNA)
where:
Base-Base interactions energy: -397.226
where: short stacking energy: -154.687
Base-Backbone interact. energy: -1.171
local terms energy: -147.127227
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -30.555
flat angles C4'-P-C4' energy: -28.945
flat angles P-C4'-P energy: -19.832
tors. eta vs tors. theta energy: -46.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -531.318935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.318935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.318935 (E_RNA)
where:
Base-Base interactions energy: -388.823
where: short stacking energy: -149.821
Base-Backbone interact. energy: -0.004
local terms energy: -142.491757
where:
bonds (distance) C4'-P energy: -29.006
bonds (distance) P-C4' energy: -19.935
flat angles C4'-P-C4' energy: -25.750
flat angles P-C4'-P energy: -22.425
tors. eta vs tors. theta energy: -45.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -524.014933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.014933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.014933 (E_RNA)
where:
Base-Base interactions energy: -385.898
where: short stacking energy: -149.492
Base-Backbone interact. energy: -0.001
local terms energy: -138.115952
where:
bonds (distance) C4'-P energy: -25.551
bonds (distance) P-C4' energy: -21.900
flat angles C4'-P-C4' energy: -27.974
flat angles P-C4'-P energy: -20.452
tors. eta vs tors. theta energy: -42.239
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: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -518.636686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.636686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.636686 (E_RNA)
where:
Base-Base interactions energy: -378.600
where: short stacking energy: -144.027
Base-Backbone interact. energy: -0.922
local terms energy: -139.114984
where:
bonds (distance) C4'-P energy: -22.064
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -32.558
flat angles P-C4'-P energy: -21.530
tors. eta vs tors. theta energy: -45.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -312.230969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.230969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.230969 (E_RNA)
where:
Base-Base interactions energy: -200.420
where: short stacking energy: -98.491
Base-Backbone interact. energy: -0.746
local terms energy: -111.064649
where:
bonds (distance) C4'-P energy: -27.214
bonds (distance) P-C4' energy: -24.102
flat angles C4'-P-C4' energy: -28.222
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -24.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -393.069078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.069078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.069078 (E_RNA)
where:
Base-Base interactions energy: -278.099
where: short stacking energy: -114.001
Base-Backbone interact. energy: -0.528
local terms energy: -114.442224
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -23.770
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -30.143
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: 2
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -132.923342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.923342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.923342 (E_RNA)
where:
Base-Base interactions energy: -36.496
where: short stacking energy: -36.496
Base-Backbone interact. energy: -0.142
local terms energy: -96.285709
where:
bonds (distance) C4'-P energy: -23.442
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -24.150
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -11.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -566.341623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.341623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.341623 (E_RNA)
where:
Base-Base interactions energy: -408.004
where: short stacking energy: -162.898
Base-Backbone interact. energy: -0.512
local terms energy: -157.825415
where:
bonds (distance) C4'-P energy: -22.436
bonds (distance) P-C4' energy: -31.739
flat angles C4'-P-C4' energy: -31.674
flat angles P-C4'-P energy: -24.282
tors. eta vs tors. theta energy: -47.695
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: 10
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -552.292415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.292415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.292415 (E_RNA)
where:
Base-Base interactions energy: -397.335
where: short stacking energy: -155.902
Base-Backbone interact. energy: -1.254
local terms energy: -153.702883
where:
bonds (distance) C4'-P energy: -25.122
bonds (distance) P-C4' energy: -29.700
flat angles C4'-P-C4' energy: -31.193
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: -45.679
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: 3, replica: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -546.427777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.427777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.427777 (E_RNA)
where:
Base-Base interactions energy: -396.776
where: short stacking energy: -153.070
Base-Backbone interact. energy: -0.542
local terms energy: -149.109970
where:
bonds (distance) C4'-P energy: -23.211
bonds (distance) P-C4' energy: -23.234
flat angles C4'-P-C4' energy: -32.979
flat angles P-C4'-P energy: -24.889
tors. eta vs tors. theta energy: -44.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -546.169514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.169514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.169514 (E_RNA)
where:
Base-Base interactions energy: -401.646
where: short stacking energy: -150.578
Base-Backbone interact. energy: -1.502
local terms energy: -143.021907
where:
bonds (distance) C4'-P energy: -24.790
bonds (distance) P-C4' energy: -18.965
flat angles C4'-P-C4' energy: -29.416
flat angles P-C4'-P energy: -24.815
tors. eta vs tors. theta energy: -45.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -524.276887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.276887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.276887 (E_RNA)
where:
Base-Base interactions energy: -383.581
where: short stacking energy: -150.074
Base-Backbone interact. energy: -0.713
local terms energy: -139.982827
where:
bonds (distance) C4'-P energy: -29.826
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -30.215
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -46.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -520.144108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.144108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.144108 (E_RNA)
where:
Base-Base interactions energy: -370.695
where: short stacking energy: -143.368
Base-Backbone interact. energy: -0.533
local terms energy: -148.916073
where:
bonds (distance) C4'-P energy: -27.464
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -27.565
flat angles P-C4'-P energy: -24.085
tors. eta vs tors. theta energy: -45.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -514.273241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.273241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.273241 (E_RNA)
where:
Base-Base interactions energy: -380.625
where: short stacking energy: -151.117
Base-Backbone interact. energy: -0.197
local terms energy: -133.451441
where:
bonds (distance) C4'-P energy: -25.000
bonds (distance) P-C4' energy: -23.922
flat angles C4'-P-C4' energy: -25.534
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -43.971
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: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -311.631113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.631113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.631113 (E_RNA)
where:
Base-Base interactions energy: -193.132
where: short stacking energy: -90.768
Base-Backbone interact. energy: -0.743
local terms energy: -117.756078
where:
bonds (distance) C4'-P energy: -23.625
bonds (distance) P-C4' energy: -31.600
flat angles C4'-P-C4' energy: -28.437
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: -15.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -403.814648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.814648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.814648 (E_RNA)
where:
Base-Base interactions energy: -281.192
where: short stacking energy: -116.923
Base-Backbone interact. energy: 1.161
local terms energy: -123.784179
where:
bonds (distance) C4'-P energy: -20.476
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -30.614
flat angles P-C4'-P energy: -20.991
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: 10, replica: 2
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -123.612084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.612084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.612084 (E_RNA)
where:
Base-Base interactions energy: -39.640
where: short stacking energy: -39.640
Base-Backbone interact. energy: -0.256
local terms energy: -83.716301
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -27.788
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -567.475017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.475017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.475017 (E_RNA)
where:
Base-Base interactions energy: -407.519
where: short stacking energy: -158.356
Base-Backbone interact. energy: -0.173
local terms energy: -159.783590
where:
bonds (distance) C4'-P energy: -31.743
bonds (distance) P-C4' energy: -26.496
flat angles C4'-P-C4' energy: -33.259
flat angles P-C4'-P energy: -21.210
tors. eta vs tors. theta energy: -47.075
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: 2, replica: 10
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -547.383248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.383248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.383248 (E_RNA)
where:
Base-Base interactions energy: -392.215
where: short stacking energy: -144.480
Base-Backbone interact. energy: -0.439
local terms energy: -154.729311
where:
bonds (distance) C4'-P energy: -28.936
bonds (distance) P-C4' energy: -31.831
flat angles C4'-P-C4' energy: -29.594
flat angles P-C4'-P energy: -20.127
tors. eta vs tors. theta energy: -44.241
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: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -544.321237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.321237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.321237 (E_RNA)
where:
Base-Base interactions energy: -400.287
where: short stacking energy: -153.041
Base-Backbone interact. energy: -1.843
local terms energy: -142.191778
where:
bonds (distance) C4'-P energy: -27.468
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -28.204
flat angles P-C4'-P energy: -18.744
tors. eta vs tors. theta energy: -48.355
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: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -537.953088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.953088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.953088 (E_RNA)
where:
Base-Base interactions energy: -390.191
where: short stacking energy: -153.371
Base-Backbone interact. energy: 0.697
local terms energy: -148.459419
where:
bonds (distance) C4'-P energy: -22.468
bonds (distance) P-C4' energy: -28.130
flat angles C4'-P-C4' energy: -29.173
flat angles P-C4'-P energy: -23.483
tors. eta vs tors. theta energy: -45.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -540.439359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.439359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.439359 (E_RNA)
where:
Base-Base interactions energy: -387.721
where: short stacking energy: -153.810
Base-Backbone interact. energy: -0.775
local terms energy: -151.943287
where:
bonds (distance) C4'-P energy: -27.210
bonds (distance) P-C4' energy: -24.304
flat angles C4'-P-C4' energy: -31.298
flat angles P-C4'-P energy: -21.763
tors. eta vs tors. theta energy: -47.369
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: 8
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -530.978738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.978738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.978738 (E_RNA)
where:
Base-Base interactions energy: -380.719
where: short stacking energy: -150.018
Base-Backbone interact. energy: -1.247
local terms energy: -149.012851
where:
bonds (distance) C4'-P energy: -28.059
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -31.644
flat angles P-C4'-P energy: -19.512
tors. eta vs tors. theta energy: -48.040
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: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -520.606184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.606184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.606184 (E_RNA)
where:
Base-Base interactions energy: -384.719
where: short stacking energy: -149.790
Base-Backbone interact. energy: -0.215
local terms energy: -135.671844
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -33.260
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -44.997
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: 3
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -433.672209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.672209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.672209 (E_RNA)
where:
Base-Base interactions energy: -307.471
where: short stacking energy: -127.020
Base-Backbone interact. energy: -0.167
local terms energy: -126.033972
where:
bonds (distance) C4'-P energy: -26.148
bonds (distance) P-C4' energy: -20.680
flat angles C4'-P-C4' energy: -29.273
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -31.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -306.341512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.341512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.341512 (E_RNA)
where:
Base-Base interactions energy: -201.531
where: short stacking energy: -93.874
Base-Backbone interact. energy: -0.063
local terms energy: -104.747538
where:
bonds (distance) C4'-P energy: -23.213
bonds (distance) P-C4' energy: -25.199
flat angles C4'-P-C4' energy: -21.740
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -22.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -128.698004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.698004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.698004 (E_RNA)
where:
Base-Base interactions energy: -46.325
where: short stacking energy: -41.348
Base-Backbone interact. energy: -0.278
local terms energy: -82.095243
where:
bonds (distance) C4'-P energy: -23.709
bonds (distance) P-C4' energy: -27.940
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -12.886
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: 10
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -562.695799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.695799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.695799 (E_RNA)
where:
Base-Base interactions energy: -405.636
where: short stacking energy: -160.981
Base-Backbone interact. energy: -0.892
local terms energy: -156.168343
where:
bonds (distance) C4'-P energy: -31.226
bonds (distance) P-C4' energy: -25.928
flat angles C4'-P-C4' energy: -29.819
flat angles P-C4'-P energy: -22.085
tors. eta vs tors. theta energy: -47.110
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: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -558.114826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.114826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.114826 (E_RNA)
where:
Base-Base interactions energy: -400.447
where: short stacking energy: -155.585
Base-Backbone interact. energy: -0.048
local terms energy: -157.619575
where:
bonds (distance) C4'-P energy: -25.697
bonds (distance) P-C4' energy: -28.131
flat angles C4'-P-C4' energy: -32.928
flat angles P-C4'-P energy: -25.102
tors. eta vs tors. theta energy: -45.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -549.258793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.258793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.258793 (E_RNA)
where:
Base-Base interactions energy: -398.463
where: short stacking energy: -154.227
Base-Backbone interact. energy: -0.576
local terms energy: -150.220248
where:
bonds (distance) C4'-P energy: -28.250
bonds (distance) P-C4' energy: -24.140
flat angles C4'-P-C4' energy: -26.631
flat angles P-C4'-P energy: -23.673
tors. eta vs tors. theta energy: -47.527
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: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -542.597781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.597781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.597781 (E_RNA)
where:
Base-Base interactions energy: -396.091
where: short stacking energy: -154.705
Base-Backbone interact. energy: -0.083
local terms energy: -146.423801
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -26.541
flat angles C4'-P-C4' energy: -33.050
flat angles P-C4'-P energy: -20.800
tors. eta vs tors. theta energy: -47.121
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: 8
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -545.984669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.984669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.984669 (E_RNA)
where:
Base-Base interactions energy: -392.196
where: short stacking energy: -151.122
Base-Backbone interact. energy: -1.115
local terms energy: -152.673639
where:
bonds (distance) C4'-P energy: -28.374
bonds (distance) P-C4' energy: -23.872
flat angles C4'-P-C4' energy: -31.631
flat angles P-C4'-P energy: -23.964
tors. eta vs tors. theta energy: -44.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -521.797609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.797609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.797609 (E_RNA)
where:
Base-Base interactions energy: -385.733
where: short stacking energy: -141.871
Base-Backbone interact. energy: -1.233
local terms energy: -134.832432
where:
bonds (distance) C4'-P energy: -24.516
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -24.462
flat angles P-C4'-P energy: -20.595
tors. eta vs tors. theta energy: -45.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -515.165844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.165844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.165844 (E_RNA)
where:
Base-Base interactions energy: -377.955
where: short stacking energy: -150.087
Base-Backbone interact. energy: -0.243
local terms energy: -136.968525
where:
bonds (distance) C4'-P energy: -21.704
bonds (distance) P-C4' energy: -26.123
flat angles C4'-P-C4' energy: -27.329
flat angles P-C4'-P energy: -17.874
tors. eta vs tors. theta energy: -43.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -392.246386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.246386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.246386 (E_RNA)
where:
Base-Base interactions energy: -279.945
where: short stacking energy: -115.920
Base-Backbone interact. energy: -0.318
local terms energy: -111.983511
where:
bonds (distance) C4'-P energy: -27.344
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -23.591
flat angles P-C4'-P energy: -15.575
tors. eta vs tors. theta energy: -30.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -308.021013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.021013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.021013 (E_RNA)
where:
Base-Base interactions energy: -194.775
where: short stacking energy: -79.437
Base-Backbone interact. energy: 0.369
local terms energy: -113.615525
where:
bonds (distance) C4'-P energy: -25.630
bonds (distance) P-C4' energy: -26.996
flat angles C4'-P-C4' energy: -24.127
flat angles P-C4'-P energy: -15.574
tors. eta vs tors. theta energy: -21.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -139.697469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.697469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.697469 (E_RNA)
where:
Base-Base interactions energy: -57.832
where: short stacking energy: -46.508
Base-Backbone interact. energy: -0.036
local terms energy: -81.829042
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -28.141
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -1.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -554.335714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.335714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.335714 (E_RNA)
where:
Base-Base interactions energy: -402.670
where: short stacking energy: -158.463
Base-Backbone interact. energy: -0.356
local terms energy: -151.309569
where:
bonds (distance) C4'-P energy: -25.061
bonds (distance) P-C4' energy: -26.525
flat angles C4'-P-C4' energy: -27.586
flat angles P-C4'-P energy: -25.154
tors. eta vs tors. theta energy: -46.983
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: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -554.711694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.711694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.711694 (E_RNA)
where:
Base-Base interactions energy: -396.818
where: short stacking energy: -153.197
Base-Backbone interact. energy: -0.862
local terms energy: -157.031363
where:
bonds (distance) C4'-P energy: -27.338
bonds (distance) P-C4' energy: -28.233
flat angles C4'-P-C4' energy: -32.122
flat angles P-C4'-P energy: -24.877
tors. eta vs tors. theta energy: -44.461
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: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -550.238961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.238961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.238961 (E_RNA)
where:
Base-Base interactions energy: -391.852
where: short stacking energy: -159.753
Base-Backbone interact. energy: -0.828
local terms energy: -157.559511
where:
bonds (distance) C4'-P energy: -26.793
bonds (distance) P-C4' energy: -30.732
flat angles C4'-P-C4' energy: -31.482
flat angles P-C4'-P energy: -22.752
tors. eta vs tors. theta energy: -45.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -543.464941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.464941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.464941 (E_RNA)
where:
Base-Base interactions energy: -398.403
where: short stacking energy: -154.150
Base-Backbone interact. energy: -0.546
local terms energy: -144.515703
where:
bonds (distance) C4'-P energy: -29.965
bonds (distance) P-C4' energy: -18.777
flat angles C4'-P-C4' energy: -28.213
flat angles P-C4'-P energy: -20.921
tors. eta vs tors. theta energy: -46.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -530.782801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.782801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.782801 (E_RNA)
where:
Base-Base interactions energy: -385.637
where: short stacking energy: -150.836
Base-Backbone interact. energy: -0.658
local terms energy: -144.487279
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -29.574
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -45.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -517.726870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.726870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.726870 (E_RNA)
where:
Base-Base interactions energy: -379.141
where: short stacking energy: -139.197
Base-Backbone interact. energy: -0.780
local terms energy: -137.805827
where:
bonds (distance) C4'-P energy: -24.197
bonds (distance) P-C4' energy: -28.486
flat angles C4'-P-C4' energy: -28.443
flat angles P-C4'-P energy: -17.327
tors. eta vs tors. theta energy: -39.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -518.735091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.735091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.735091 (E_RNA)
where:
Base-Base interactions energy: -379.790
where: short stacking energy: -149.752
Base-Backbone interact. energy: -1.131
local terms energy: -137.813494
where:
bonds (distance) C4'-P energy: -25.612
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -31.978
flat angles P-C4'-P energy: -22.654
tors. eta vs tors. theta energy: -43.703
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: 3
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -377.284513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.284513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.284513 (E_RNA)
where:
Base-Base interactions energy: -271.822
where: short stacking energy: -115.147
Base-Backbone interact. energy: -0.111
local terms energy: -105.351394
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -20.680
flat angles C4'-P-C4' energy: -25.320
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -31.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -321.687728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.687728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.687728 (E_RNA)
where:
Base-Base interactions energy: -215.044
where: short stacking energy: -99.377
Base-Backbone interact. energy: -1.737
local terms energy: -104.906827
where:
bonds (distance) C4'-P energy: -22.919
bonds (distance) P-C4' energy: -26.646
flat angles C4'-P-C4' energy: -19.140
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -24.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -128.302702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.302702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.302702 (E_RNA)
where:
Base-Base interactions energy: -50.873
where: short stacking energy: -35.835
Base-Backbone interact. energy: 2.327
local terms energy: -79.756774
where:
bonds (distance) C4'-P energy: -31.581
bonds (distance) P-C4' energy: -26.712
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: 5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -563.610204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.610204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.610204 (E_RNA)
where:
Base-Base interactions energy: -405.991
where: short stacking energy: -154.105
Base-Backbone interact. energy: -0.035
local terms energy: -157.584305
where:
bonds (distance) C4'-P energy: -25.135
bonds (distance) P-C4' energy: -30.336
flat angles C4'-P-C4' energy: -31.484
flat angles P-C4'-P energy: -21.175
tors. eta vs tors. theta energy: -49.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -549.784362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.784362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.784362 (E_RNA)
where:
Base-Base interactions energy: -389.261
where: short stacking energy: -154.511
Base-Backbone interact. energy: -1.582
local terms energy: -158.940954
where:
bonds (distance) C4'-P energy: -27.040
bonds (distance) P-C4' energy: -27.923
flat angles C4'-P-C4' energy: -31.068
flat angles P-C4'-P energy: -25.330
tors. eta vs tors. theta energy: -47.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -562.151842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.151842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.151842 (E_RNA)
where:
Base-Base interactions energy: -405.566
where: short stacking energy: -157.011
Base-Backbone interact. energy: -0.862
local terms energy: -155.724322
where:
bonds (distance) C4'-P energy: -23.190
bonds (distance) P-C4' energy: -25.435
flat angles C4'-P-C4' energy: -33.894
flat angles P-C4'-P energy: -24.189
tors. eta vs tors. theta energy: -49.016
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: 52
Temperature: 1.050000
Total energy: -541.980276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.980276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.980276 (E_RNA)
where:
Base-Base interactions energy: -388.023
where: short stacking energy: -157.120
Base-Backbone interact. energy: -0.841
local terms energy: -153.116907
where:
bonds (distance) C4'-P energy: -29.196
bonds (distance) P-C4' energy: -29.428
flat angles C4'-P-C4' energy: -26.700
flat angles P-C4'-P energy: -22.070
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: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -518.355282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.355282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.355282 (E_RNA)
where:
Base-Base interactions energy: -375.605
where: short stacking energy: -140.519
Base-Backbone interact. energy: -0.272
local terms energy: -142.477721
where:
bonds (distance) C4'-P energy: -26.895
bonds (distance) P-C4' energy: -25.311
flat angles C4'-P-C4' energy: -27.117
flat angles P-C4'-P energy: -21.048
tors. eta vs tors. theta energy: -42.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -522.944944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.944944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.944944 (E_RNA)
where:
Base-Base interactions energy: -384.267
where: short stacking energy: -150.840
Base-Backbone interact. energy: 0.633
local terms energy: -139.311418
where:
bonds (distance) C4'-P energy: -24.725
bonds (distance) P-C4' energy: -20.971
flat angles C4'-P-C4' energy: -28.679
flat angles P-C4'-P energy: -20.918
tors. eta vs tors. theta energy: -44.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -516.487599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.487599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.487599 (E_RNA)
where:
Base-Base interactions energy: -376.238
where: short stacking energy: -143.481
Base-Backbone interact. energy: -0.002
local terms energy: -140.247390
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -30.766
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -46.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -385.369405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.369405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.369405 (E_RNA)
where:
Base-Base interactions energy: -273.243
where: short stacking energy: -99.147
Base-Backbone interact. energy: -0.074
local terms energy: -112.052402
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -27.486
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -28.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -311.814974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.814974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.814974 (E_RNA)
where:
Base-Base interactions energy: -193.574
where: short stacking energy: -88.681
Base-Backbone interact. energy: -0.347
local terms energy: -117.894533
where:
bonds (distance) C4'-P energy: -28.026
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -28.960
flat angles P-C4'-P energy: -22.596
tors. eta vs tors. theta energy: -20.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -152.061928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.061928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.061928 (E_RNA)
where:
Base-Base interactions energy: -80.594
where: short stacking energy: -41.631
Base-Backbone interact. energy: -0.697
local terms energy: -70.771172
where:
bonds (distance) C4'-P energy: -22.047
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: 0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -562.009619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.009619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.009619 (E_RNA)
where:
Base-Base interactions energy: -404.212
where: short stacking energy: -161.596
Base-Backbone interact. energy: -1.796
local terms energy: -156.002316
where:
bonds (distance) C4'-P energy: -23.493
bonds (distance) P-C4' energy: -29.344
flat angles C4'-P-C4' energy: -31.919
flat angles P-C4'-P energy: -22.832
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: 2, replica: 10
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -557.863965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.863965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.863965 (E_RNA)
where:
Base-Base interactions energy: -396.670
where: short stacking energy: -157.113
Base-Backbone interact. energy: -1.427
local terms energy: -159.767041
where:
bonds (distance) C4'-P energy: -29.304
bonds (distance) P-C4' energy: -27.898
flat angles C4'-P-C4' energy: -28.521
flat angles P-C4'-P energy: -28.036
tors. eta vs tors. theta energy: -46.007
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: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -550.373951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.373951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.373951 (E_RNA)
where:
Base-Base interactions energy: -395.104
where: short stacking energy: -157.322
Base-Backbone interact. energy: 1.327
local terms energy: -156.596976
where:
bonds (distance) C4'-P energy: -27.836
bonds (distance) P-C4' energy: -28.810
flat angles C4'-P-C4' energy: -27.644
flat angles P-C4'-P energy: -23.338
tors. eta vs tors. theta energy: -48.969
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: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -556.162419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.162419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.162419 (E_RNA)
where:
Base-Base interactions energy: -400.869
where: short stacking energy: -158.573
Base-Backbone interact. energy: -0.601
local terms energy: -154.692834
where:
bonds (distance) C4'-P energy: -26.609
bonds (distance) P-C4' energy: -32.345
flat angles C4'-P-C4' energy: -27.341
flat angles P-C4'-P energy: -21.749
tors. eta vs tors. theta energy: -46.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -538.612849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.612849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.612849 (E_RNA)
where:
Base-Base interactions energy: -387.874
where: short stacking energy: -150.700
Base-Backbone interact. energy: -1.555
local terms energy: -149.183474
where:
bonds (distance) C4'-P energy: -31.363
bonds (distance) P-C4' energy: -27.587
flat angles C4'-P-C4' energy: -29.202
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -43.909
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: 4
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -526.167011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.167011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.167011 (E_RNA)
where:
Base-Base interactions energy: -382.066
where: short stacking energy: -151.824
Base-Backbone interact. energy: -0.641
local terms energy: -143.460245
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -28.030
flat angles C4'-P-C4' energy: -27.850
flat angles P-C4'-P energy: -22.913
tors. eta vs tors. theta energy: -42.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -526.404584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.404584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.404584 (E_RNA)
where:
Base-Base interactions energy: -386.635
where: short stacking energy: -148.714
Base-Backbone interact. energy: -0.316
local terms energy: -139.454299
where:
bonds (distance) C4'-P energy: -18.249
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -31.067
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: -46.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -403.822105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.822105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.822105 (E_RNA)
where:
Base-Base interactions energy: -277.704
where: short stacking energy: -119.373
Base-Backbone interact. energy: -0.312
local terms energy: -125.805634
where:
bonds (distance) C4'-P energy: -23.087
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -28.552
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: -37.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -299.801693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.801693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.801693 (E_RNA)
where:
Base-Base interactions energy: -194.465
where: short stacking energy: -78.617
Base-Backbone interact. energy: -0.112
local terms energy: -105.223972
where:
bonds (distance) C4'-P energy: -29.735
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -24.252
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -17.795
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: 10, replica: 2
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -126.659404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.659404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.659404 (E_RNA)
where:
Base-Base interactions energy: -43.509
where: short stacking energy: -40.894
Base-Backbone interact. energy: -0.304
local terms energy: -82.846543
where:
bonds (distance) C4'-P energy: -20.571
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -558.199875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.199875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.199875 (E_RNA)
where:
Base-Base interactions energy: -403.007
where: short stacking energy: -158.615
Base-Backbone interact. energy: -0.856
local terms energy: -154.336843
where:
bonds (distance) C4'-P energy: -29.371
bonds (distance) P-C4' energy: -27.988
flat angles C4'-P-C4' energy: -28.254
flat angles P-C4'-P energy: -20.924
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: 54
Temperature: 0.950000
Total energy: -562.551305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.551305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.551305 (E_RNA)
where:
Base-Base interactions energy: -405.023
where: short stacking energy: -157.703
Base-Backbone interact. energy: -0.292
local terms energy: -157.236308
where:
bonds (distance) C4'-P energy: -28.564
bonds (distance) P-C4' energy: -27.898
flat angles C4'-P-C4' energy: -29.767
flat angles P-C4'-P energy: -22.329
tors. eta vs tors. theta energy: -48.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -544.717101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.717101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.717101 (E_RNA)
where:
Base-Base interactions energy: -403.232
where: short stacking energy: -151.803
Base-Backbone interact. energy: -0.307
local terms energy: -141.177875
where:
bonds (distance) C4'-P energy: -25.755
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -29.590
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: -45.753
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: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -541.271154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.271154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.271154 (E_RNA)
where:
Base-Base interactions energy: -388.101
where: short stacking energy: -153.334
Base-Backbone interact. energy: -1.290
local terms energy: -151.879604
where:
bonds (distance) C4'-P energy: -22.855
bonds (distance) P-C4' energy: -25.635
flat angles C4'-P-C4' energy: -32.972
flat angles P-C4'-P energy: -23.934
tors. eta vs tors. theta energy: -46.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -534.434446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.434446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.434446 (E_RNA)
where:
Base-Base interactions energy: -387.226
where: short stacking energy: -153.210
Base-Backbone interact. energy: -0.692
local terms energy: -146.517016
where:
bonds (distance) C4'-P energy: -26.664
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -27.469
flat angles P-C4'-P energy: -25.576
tors. eta vs tors. theta energy: -47.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -528.687126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.687126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.687126 (E_RNA)
where:
Base-Base interactions energy: -387.799
where: short stacking energy: -148.171
Base-Backbone interact. energy: -0.016
local terms energy: -140.872151
where:
bonds (distance) C4'-P energy: -23.838
bonds (distance) P-C4' energy: -24.140
flat angles C4'-P-C4' energy: -27.597
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -47.563
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: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -525.306323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.306323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.306323 (E_RNA)
where:
Base-Base interactions energy: -387.514
where: short stacking energy: -156.841
Base-Backbone interact. energy: -0.574
local terms energy: -137.217703
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -28.717
flat angles P-C4'-P energy: -18.053
tors. eta vs tors. theta energy: -48.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -414.056494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.056494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.056494 (E_RNA)
where:
Base-Base interactions energy: -301.619
where: short stacking energy: -121.985
Base-Backbone interact. energy: -0.031
local terms energy: -112.406577
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -24.070
flat angles P-C4'-P energy: -17.321
tors. eta vs tors. theta energy: -35.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -323.691548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.691548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.691548 (E_RNA)
where:
Base-Base interactions energy: -205.238
where: short stacking energy: -95.272
Base-Backbone interact. energy: 2.058
local terms energy: -120.511524
where:
bonds (distance) C4'-P energy: -20.354
bonds (distance) P-C4' energy: -27.587
flat angles C4'-P-C4' energy: -27.775
flat angles P-C4'-P energy: -21.544
tors. eta vs tors. theta energy: -23.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -127.314029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.314029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.314029 (E_RNA)
where:
Base-Base interactions energy: -38.604
where: short stacking energy: -29.576
Base-Backbone interact. energy: -0.401
local terms energy: -88.308826
where:
bonds (distance) C4'-P energy: -27.110
bonds (distance) P-C4' energy: -25.607
flat angles C4'-P-C4' energy: -20.706
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -563.240688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.240688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.240688 (E_RNA)
where:
Base-Base interactions energy: -405.330
where: short stacking energy: -158.812
Base-Backbone interact. energy: -1.093
local terms energy: -156.817650
where:
bonds (distance) C4'-P energy: -30.001
bonds (distance) P-C4' energy: -29.459
flat angles C4'-P-C4' energy: -32.050
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: -47.244
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: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -552.929800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.929800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.929800 (E_RNA)
where:
Base-Base interactions energy: -401.509
where: short stacking energy: -152.800
Base-Backbone interact. energy: -0.584
local terms energy: -150.837132
where:
bonds (distance) C4'-P energy: -27.533
bonds (distance) P-C4' energy: -28.070
flat angles C4'-P-C4' energy: -26.069
flat angles P-C4'-P energy: -22.486
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: 3, replica: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -541.974415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.974415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.974415 (E_RNA)
where:
Base-Base interactions energy: -390.603
where: short stacking energy: -147.901
Base-Backbone interact. energy: -0.901
local terms energy: -150.470692
where:
bonds (distance) C4'-P energy: -22.086
bonds (distance) P-C4' energy: -27.296
flat angles C4'-P-C4' energy: -33.715
flat angles P-C4'-P energy: -22.947
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: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -545.825510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.825510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.825510 (E_RNA)
where:
Base-Base interactions energy: -401.214
where: short stacking energy: -159.236
Base-Backbone interact. energy: -1.222
local terms energy: -143.389719
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -25.715
flat angles C4'-P-C4' energy: -29.691
flat angles P-C4'-P energy: -22.037
tors. eta vs tors. theta energy: -47.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -532.267110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.267110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.267110 (E_RNA)
where:
Base-Base interactions energy: -390.284
where: short stacking energy: -155.333
Base-Backbone interact. energy: -1.026
local terms energy: -140.957013
where:
bonds (distance) C4'-P energy: -23.289
bonds (distance) P-C4' energy: -19.645
flat angles C4'-P-C4' energy: -29.205
flat angles P-C4'-P energy: -20.502
tors. eta vs tors. theta energy: -48.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -524.428224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.428224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.428224 (E_RNA)
where:
Base-Base interactions energy: -383.611
where: short stacking energy: -154.954
Base-Backbone interact. energy: 0.351
local terms energy: -141.167805
where:
bonds (distance) C4'-P energy: -25.455
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -30.964
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -44.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -515.003331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.003331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.003331 (E_RNA)
where:
Base-Base interactions energy: -382.357
where: short stacking energy: -147.214
Base-Backbone interact. energy: -1.476
local terms energy: -131.170106
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -28.300
flat angles P-C4'-P energy: -19.633
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: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -396.151667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.151667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.151667 (E_RNA)
where:
Base-Base interactions energy: -281.307
where: short stacking energy: -122.065
Base-Backbone interact. energy: -0.192
local terms energy: -114.652052
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -24.559
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -35.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -329.976714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.976714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.976714 (E_RNA)
where:
Base-Base interactions energy: -229.457
where: short stacking energy: -103.733
Base-Backbone interact. energy: 0.018
local terms energy: -100.537095
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -29.946
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -20.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -136.947731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.947731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.947731 (E_RNA)
where:
Base-Base interactions energy: -46.959
where: short stacking energy: -41.875
Base-Backbone interact. energy: -0.387
local terms energy: -89.601713
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -558.385760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.385760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.385760 (E_RNA)
where:
Base-Base interactions energy: -405.398
where: short stacking energy: -154.757
Base-Backbone interact. energy: -0.239
local terms energy: -152.748657
where:
bonds (distance) C4'-P energy: -28.078
bonds (distance) P-C4' energy: -28.634
flat angles C4'-P-C4' energy: -27.851
flat angles P-C4'-P energy: -20.114
tors. eta vs tors. theta energy: -48.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -556.081034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.081034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.081034 (E_RNA)
where:
Base-Base interactions energy: -402.183
where: short stacking energy: -154.101
Base-Backbone interact. energy: -0.025
local terms energy: -153.873377
where:
bonds (distance) C4'-P energy: -26.679
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -30.672
flat angles P-C4'-P energy: -21.373
tors. eta vs tors. theta energy: -47.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -550.199453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.199453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.199453 (E_RNA)
where:
Base-Base interactions energy: -396.152
where: short stacking energy: -155.077
Base-Backbone interact. energy: -2.183
local terms energy: -151.864342
where:
bonds (distance) C4'-P energy: -26.926
bonds (distance) P-C4' energy: -30.419
flat angles C4'-P-C4' energy: -27.574
flat angles P-C4'-P energy: -20.411
tors. eta vs tors. theta energy: -46.535
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: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -542.681806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.681806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.681806 (E_RNA)
where:
Base-Base interactions energy: -396.742
where: short stacking energy: -152.601
Base-Backbone interact. energy: -0.123
local terms energy: -145.816740
where:
bonds (distance) C4'-P energy: -18.665
bonds (distance) P-C4' energy: -25.345
flat angles C4'-P-C4' energy: -30.158
flat angles P-C4'-P energy: -23.958
tors. eta vs tors. theta energy: -47.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -534.854782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.854782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.854782 (E_RNA)
where:
Base-Base interactions energy: -386.510
where: short stacking energy: -152.715
Base-Backbone interact. energy: -2.552
local terms energy: -145.792002
where:
bonds (distance) C4'-P energy: -25.894
bonds (distance) P-C4' energy: -28.994
flat angles C4'-P-C4' energy: -24.987
flat angles P-C4'-P energy: -19.826
tors. eta vs tors. theta energy: -46.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -527.440270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.440270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.440270 (E_RNA)
where:
Base-Base interactions energy: -385.822
where: short stacking energy: -150.606
Base-Backbone interact. energy: -0.043
local terms energy: -141.575707
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -30.774
flat angles C4'-P-C4' energy: -29.118
flat angles P-C4'-P energy: -18.066
tors. eta vs tors. theta energy: -46.040
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: 4
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -523.720835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.720835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.720835 (E_RNA)
where:
Base-Base interactions energy: -377.680
where: short stacking energy: -145.417
Base-Backbone interact. energy: -0.234
local terms energy: -145.807493
where:
bonds (distance) C4'-P energy: -27.379
bonds (distance) P-C4' energy: -30.858
flat angles C4'-P-C4' energy: -24.177
flat angles P-C4'-P energy: -20.754
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: 8, replica: 3
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -391.914782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.914782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.914782 (E_RNA)
where:
Base-Base interactions energy: -278.755
where: short stacking energy: -108.303
Base-Backbone interact. energy: -0.578
local terms energy: -112.581327
where:
bonds (distance) C4'-P energy: -20.097
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -27.739
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -33.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -311.227959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.227959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.227959 (E_RNA)
where:
Base-Base interactions energy: -198.958
where: short stacking energy: -97.994
Base-Backbone interact. energy: -0.535
local terms energy: -111.735168
where:
bonds (distance) C4'-P energy: -28.812
bonds (distance) P-C4' energy: -27.577
flat angles C4'-P-C4' energy: -26.327
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: -22.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -132.435649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.435649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.435649 (E_RNA)
where:
Base-Base interactions energy: -49.295
where: short stacking energy: -40.856
Base-Backbone interact. energy: 0.011
local terms energy: -83.152099
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -27.370
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -6.421
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: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -565.859447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.859447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.859447 (E_RNA)
where:
Base-Base interactions energy: -401.659
where: short stacking energy: -160.159
Base-Backbone interact. energy: -1.295
local terms energy: -162.905902
where:
bonds (distance) C4'-P energy: -27.271
bonds (distance) P-C4' energy: -30.733
flat angles C4'-P-C4' energy: -31.938
flat angles P-C4'-P energy: -23.496
tors. eta vs tors. theta energy: -49.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -559.039081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.039081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.039081 (E_RNA)
where:
Base-Base interactions energy: -397.108
where: short stacking energy: -159.664
Base-Backbone interact. energy: -0.008
local terms energy: -161.922281
where:
bonds (distance) C4'-P energy: -30.642
bonds (distance) P-C4' energy: -29.556
flat angles C4'-P-C4' energy: -31.531
flat angles P-C4'-P energy: -22.776
tors. eta vs tors. theta energy: -47.418
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: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -558.299444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.299444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.299444 (E_RNA)
where:
Base-Base interactions energy: -402.192
where: short stacking energy: -158.760
Base-Backbone interact. energy: -0.159
local terms energy: -155.947902
where:
bonds (distance) C4'-P energy: -29.806
bonds (distance) P-C4' energy: -28.286
flat angles C4'-P-C4' energy: -29.358
flat angles P-C4'-P energy: -20.637
tors. eta vs tors. theta energy: -47.862
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: 7
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -546.953949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.953949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.953949 (E_RNA)
where:
Base-Base interactions energy: -388.956
where: short stacking energy: -152.446
Base-Backbone interact. energy: -0.780
local terms energy: -157.217982
where:
bonds (distance) C4'-P energy: -30.132
bonds (distance) P-C4' energy: -28.648
flat angles C4'-P-C4' energy: -31.347
flat angles P-C4'-P energy: -18.855
tors. eta vs tors. theta energy: -48.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -539.335223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.335223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.335223 (E_RNA)
where:
Base-Base interactions energy: -392.433
where: short stacking energy: -152.597
Base-Backbone interact. energy: -0.084
local terms energy: -146.818342
where:
bonds (distance) C4'-P energy: -22.492
bonds (distance) P-C4' energy: -22.312
flat angles C4'-P-C4' energy: -28.673
flat angles P-C4'-P energy: -25.002
tors. eta vs tors. theta energy: -48.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -543.443951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.443951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.443951 (E_RNA)
where:
Base-Base interactions energy: -395.090
where: short stacking energy: -155.568
Base-Backbone interact. energy: -0.376
local terms energy: -147.977768
where:
bonds (distance) C4'-P energy: -27.831
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -27.410
flat angles P-C4'-P energy: -22.385
tors. eta vs tors. theta energy: -47.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -509.050866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.050866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.050866 (E_RNA)
where:
Base-Base interactions energy: -372.431
where: short stacking energy: -140.800
Base-Backbone interact. energy: -1.185
local terms energy: -135.434899
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -30.578
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -44.683
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: 3
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -396.119685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.119685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.119685 (E_RNA)
where:
Base-Base interactions energy: -278.523
where: short stacking energy: -117.948
Base-Backbone interact. energy: -0.318
local terms energy: -117.278090
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -29.472
flat angles C4'-P-C4' energy: -24.144
flat angles P-C4'-P energy: -23.755
tors. eta vs tors. theta energy: -25.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -300.606944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.606944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.606944 (E_RNA)
where:
Base-Base interactions energy: -192.836
where: short stacking energy: -86.144
Base-Backbone interact. energy: -0.677
local terms energy: -107.094000
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -29.393
flat angles C4'-P-C4' energy: -26.327
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -23.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -133.588590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.588590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.588590 (E_RNA)
where:
Base-Base interactions energy: -44.415
where: short stacking energy: -41.445
Base-Backbone interact. energy: -0.377
local terms energy: -88.795785
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -31.098
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -20.417
tors. eta vs tors. theta energy: -1.471
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: 5
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -560.605442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.605442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.605442 (E_RNA)
where:
Base-Base interactions energy: -404.290
where: short stacking energy: -163.164
Base-Backbone interact. energy: -0.764
local terms energy: -155.551618
where:
bonds (distance) C4'-P energy: -28.767
bonds (distance) P-C4' energy: -24.939
flat angles C4'-P-C4' energy: -31.602
flat angles P-C4'-P energy: -24.217
tors. eta vs tors. theta energy: -46.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -557.906877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.906877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.906877 (E_RNA)
where:
Base-Base interactions energy: -397.457
where: short stacking energy: -151.662
Base-Backbone interact. energy: -1.108
local terms energy: -159.341110
where:
bonds (distance) C4'-P energy: -28.728
bonds (distance) P-C4' energy: -25.454
flat angles C4'-P-C4' energy: -33.815
flat angles P-C4'-P energy: -25.252
tors. eta vs tors. theta energy: -46.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -555.414248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.414248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.414248 (E_RNA)
where:
Base-Base interactions energy: -392.124
where: short stacking energy: -153.104
Base-Backbone interact. energy: -0.901
local terms energy: -162.389553
where:
bonds (distance) C4'-P energy: -31.106
bonds (distance) P-C4' energy: -27.182
flat angles C4'-P-C4' energy: -33.007
flat angles P-C4'-P energy: -24.519
tors. eta vs tors. theta energy: -46.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -544.758505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.758505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.758505 (E_RNA)
where:
Base-Base interactions energy: -395.741
where: short stacking energy: -157.043
Base-Backbone interact. energy: -1.605
local terms energy: -147.412105
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -26.289
flat angles C4'-P-C4' energy: -31.548
flat angles P-C4'-P energy: -19.397
tors. eta vs tors. theta energy: -45.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -539.928312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.928312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.928312 (E_RNA)
where:
Base-Base interactions energy: -393.545
where: short stacking energy: -155.632
Base-Backbone interact. energy: -1.676
local terms energy: -144.707177
where:
bonds (distance) C4'-P energy: -23.789
bonds (distance) P-C4' energy: -28.283
flat angles C4'-P-C4' energy: -26.755
flat angles P-C4'-P energy: -19.407
tors. eta vs tors. theta energy: -46.473
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: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -528.997086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.997086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.997086 (E_RNA)
where:
Base-Base interactions energy: -394.233
where: short stacking energy: -147.868
Base-Backbone interact. energy: -0.734
local terms energy: -134.030058
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -29.069
flat angles P-C4'-P energy: -21.006
tors. eta vs tors. theta energy: -46.148
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: 4
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -526.629045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.629045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.629045 (E_RNA)
where:
Base-Base interactions energy: -383.038
where: short stacking energy: -148.706
Base-Backbone interact. energy: -0.266
local terms energy: -143.325592
where:
bonds (distance) C4'-P energy: -25.571
bonds (distance) P-C4' energy: -27.613
flat angles C4'-P-C4' energy: -26.237
flat angles P-C4'-P energy: -19.757
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: 8, replica: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -400.139905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.139905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.139905 (E_RNA)
where:
Base-Base interactions energy: -277.362
where: short stacking energy: -107.288
Base-Backbone interact. energy: -1.211
local terms energy: -121.566102
where:
bonds (distance) C4'-P energy: -20.478
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -29.741
flat angles P-C4'-P energy: -22.065
tors. eta vs tors. theta energy: -31.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -147.137018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.137018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.137018 (E_RNA)
where:
Base-Base interactions energy: -57.240
where: short stacking energy: -51.912
Base-Backbone interact. energy: 1.175
local terms energy: -91.071347
where:
bonds (distance) C4'-P energy: -24.685
bonds (distance) P-C4' energy: -29.626
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -7.915
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: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -298.983409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.983409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.983409 (E_RNA)
where:
Base-Base interactions energy: -192.337
where: short stacking energy: -71.625
Base-Backbone interact. energy: -1.078
local terms energy: -105.567785
where:
bonds (distance) C4'-P energy: -22.630
bonds (distance) P-C4' energy: -28.461
flat angles C4'-P-C4' energy: -22.818
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -15.259
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: 59
Temperature: 0.900000
Total energy: -569.427461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.427461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.427461 (E_RNA)
where:
Base-Base interactions energy: -417.914
where: short stacking energy: -163.656
Base-Backbone interact. energy: -0.281
local terms energy: -151.232394
where:
bonds (distance) C4'-P energy: -27.458
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -30.641
flat angles P-C4'-P energy: -25.224
tors. eta vs tors. theta energy: -46.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -551.867066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.867066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.867066 (E_RNA)
where:
Base-Base interactions energy: -396.322
where: short stacking energy: -148.843
Base-Backbone interact. energy: -0.684
local terms energy: -154.861672
where:
bonds (distance) C4'-P energy: -28.015
bonds (distance) P-C4' energy: -28.000
flat angles C4'-P-C4' energy: -33.266
flat angles P-C4'-P energy: -20.515
tors. eta vs tors. theta energy: -45.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -545.675852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.675852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.675852 (E_RNA)
where:
Base-Base interactions energy: -396.916
where: short stacking energy: -156.003
Base-Backbone interact. energy: 0.299
local terms energy: -149.059527
where:
bonds (distance) C4'-P energy: -26.101
bonds (distance) P-C4' energy: -26.190
flat angles C4'-P-C4' energy: -28.835
flat angles P-C4'-P energy: -21.126
tors. eta vs tors. theta energy: -46.807
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: 4, replica: 8
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -554.354645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.354645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.354645 (E_RNA)
where:
Base-Base interactions energy: -401.504
where: short stacking energy: -161.292
Base-Backbone interact. energy: -1.035
local terms energy: -151.815728
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -26.937
flat angles C4'-P-C4' energy: -32.667
flat angles P-C4'-P energy: -25.041
tors. eta vs tors. theta energy: -48.806
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: 1
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -528.675641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.675641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.675641 (E_RNA)
where:
Base-Base interactions energy: -381.729
where: short stacking energy: -142.902
Base-Backbone interact. energy: -0.052
local terms energy: -146.894335
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -26.249
flat angles C4'-P-C4' energy: -29.517
flat angles P-C4'-P energy: -24.393
tors. eta vs tors. theta energy: -48.499
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: 59
Temperature: 1.150000
Total energy: -520.671189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.671189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.671189 (E_RNA)
where:
Base-Base interactions energy: -378.187
where: short stacking energy: -152.203
Base-Backbone interact. energy: -0.501
local terms energy: -141.982907
where:
bonds (distance) C4'-P energy: -25.030
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -28.956
flat angles P-C4'-P energy: -20.330
tors. eta vs tors. theta energy: -45.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -523.151074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.151074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.151074 (E_RNA)
where:
Base-Base interactions energy: -378.836
where: short stacking energy: -151.026
Base-Backbone interact. energy: -0.293
local terms energy: -144.022451
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -25.281
flat angles C4'-P-C4' energy: -30.934
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: -45.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -515.951222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.951222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.951222 (E_RNA)
where:
Base-Base interactions energy: -375.837
where: short stacking energy: -147.718
Base-Backbone interact. energy: -0.462
local terms energy: -139.652241
where:
bonds (distance) C4'-P energy: -26.601
bonds (distance) P-C4' energy: -19.451
flat angles C4'-P-C4' energy: -26.082
flat angles P-C4'-P energy: -20.248
tors. eta vs tors. theta energy: -47.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -145.012528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.012528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.012528 (E_RNA)
where:
Base-Base interactions energy: -55.755
where: short stacking energy: -40.014
Base-Backbone interact. energy: -1.606
local terms energy: -87.651310
where:
bonds (distance) C4'-P energy: -27.689
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -5.359
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: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -293.040734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.040734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.040734 (E_RNA)
where:
Base-Base interactions energy: -185.554
where: short stacking energy: -77.438
Base-Backbone interact. energy: -1.205
local terms energy: -106.281675
where:
bonds (distance) C4'-P energy: -26.715
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -26.911
flat angles P-C4'-P energy: -14.740
tors. eta vs tors. theta energy: -15.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -563.192117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.192117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.192117 (E_RNA)
where:
Base-Base interactions energy: -408.293
where: short stacking energy: -158.594
Base-Backbone interact. energy: -0.706
local terms energy: -154.193560
where:
bonds (distance) C4'-P energy: -27.397
bonds (distance) P-C4' energy: -27.130
flat angles C4'-P-C4' energy: -32.327
flat angles P-C4'-P energy: -20.617
tors. eta vs tors. theta energy: -46.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -557.338701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.338701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.338701 (E_RNA)
where:
Base-Base interactions energy: -402.915
where: short stacking energy: -158.219
Base-Backbone interact. energy: -0.575
local terms energy: -153.848116
where:
bonds (distance) C4'-P energy: -26.673
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -33.649
flat angles P-C4'-P energy: -22.715
tors. eta vs tors. theta energy: -46.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -545.550754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.550754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.550754 (E_RNA)
where:
Base-Base interactions energy: -394.990
where: short stacking energy: -151.892
Base-Backbone interact. energy: -1.569
local terms energy: -148.991939
where:
bonds (distance) C4'-P energy: -24.371
bonds (distance) P-C4' energy: -30.572
flat angles C4'-P-C4' energy: -29.223
flat angles P-C4'-P energy: -21.487
tors. eta vs tors. theta energy: -43.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -543.045042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.045042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.045042 (E_RNA)
where:
Base-Base interactions energy: -393.859
where: short stacking energy: -157.671
Base-Backbone interact. energy: -1.019
local terms energy: -148.166488
where:
bonds (distance) C4'-P energy: -25.579
bonds (distance) P-C4' energy: -24.709
flat angles C4'-P-C4' energy: -27.558
flat angles P-C4'-P energy: -22.834
tors. eta vs tors. theta energy: -47.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -527.822790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.822790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.822790 (E_RNA)
where:
Base-Base interactions energy: -387.100
where: short stacking energy: -147.147
Base-Backbone interact. energy: -0.008
local terms energy: -140.715143
where:
bonds (distance) C4'-P energy: -26.200
bonds (distance) P-C4' energy: -23.047
flat angles C4'-P-C4' energy: -27.884
flat angles P-C4'-P energy: -21.485
tors. eta vs tors. theta energy: -42.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -530.079656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.079656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.079656 (E_RNA)
where:
Base-Base interactions energy: -383.149
where: short stacking energy: -147.014
Base-Backbone interact. energy: -0.001
local terms energy: -146.929736
where:
bonds (distance) C4'-P energy: -22.313
bonds (distance) P-C4' energy: -26.184
flat angles C4'-P-C4' energy: -29.518
flat angles P-C4'-P energy: -21.476
tors. eta vs tors. theta energy: -47.439
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: 3
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -525.498397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.498397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.498397 (E_RNA)
where:
Base-Base interactions energy: -382.230
where: short stacking energy: -147.111
Base-Backbone interact. energy: -0.847
local terms energy: -142.420846
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -30.799
flat angles C4'-P-C4' energy: -24.816
flat angles P-C4'-P energy: -20.418
tors. eta vs tors. theta energy: -46.437
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: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -520.686967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.686967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.686967 (E_RNA)
where:
Base-Base interactions energy: -375.657
where: short stacking energy: -150.008
Base-Backbone interact. energy: -0.208
local terms energy: -144.822196
where:
bonds (distance) C4'-P energy: -28.312
bonds (distance) P-C4' energy: -23.114
flat angles C4'-P-C4' energy: -29.969
flat angles P-C4'-P energy: -19.418
tors. eta vs tors. theta energy: -44.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -342.175877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.175877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.175877 (E_RNA)
where:
Base-Base interactions energy: -238.712
where: short stacking energy: -96.859
Base-Backbone interact. energy: -0.233
local terms energy: -103.230276
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -28.577
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -23.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -134.369819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.369819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.369819 (E_RNA)
where:
Base-Base interactions energy: -53.283
where: short stacking energy: -47.847
Base-Backbone interact. energy: -0.546
local terms energy: -80.540935
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -561.241010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.241010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.241010 (E_RNA)
where:
Base-Base interactions energy: -404.865
where: short stacking energy: -158.637
Base-Backbone interact. energy: -0.968
local terms energy: -155.407807
where:
bonds (distance) C4'-P energy: -29.397
bonds (distance) P-C4' energy: -26.806
flat angles C4'-P-C4' energy: -31.939
flat angles P-C4'-P energy: -22.775
tors. eta vs tors. theta energy: -44.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -556.913911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.913911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.913911 (E_RNA)
where:
Base-Base interactions energy: -406.473
where: short stacking energy: -160.246
Base-Backbone interact. energy: -1.123
local terms energy: -149.318217
where:
bonds (distance) C4'-P energy: -25.166
bonds (distance) P-C4' energy: -25.225
flat angles C4'-P-C4' energy: -31.768
flat angles P-C4'-P energy: -22.560
tors. eta vs tors. theta energy: -44.600
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: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -549.404746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.404746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.404746 (E_RNA)
where:
Base-Base interactions energy: -401.601
where: short stacking energy: -157.103
Base-Backbone interact. energy: -1.454
local terms energy: -146.350218
where:
bonds (distance) C4'-P energy: -25.389
bonds (distance) P-C4' energy: -29.141
flat angles C4'-P-C4' energy: -26.922
flat angles P-C4'-P energy: -19.074
tors. eta vs tors. theta energy: -45.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -545.420102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.420102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.420102 (E_RNA)
where:
Base-Base interactions energy: -389.333
where: short stacking energy: -153.795
Base-Backbone interact. energy: -1.383
local terms energy: -154.704325
where:
bonds (distance) C4'-P energy: -27.764
bonds (distance) P-C4' energy: -26.922
flat angles C4'-P-C4' energy: -30.425
flat angles P-C4'-P energy: -24.692
tors. eta vs tors. theta energy: -44.900
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: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -535.309264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.309264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.309264 (E_RNA)
where:
Base-Base interactions energy: -393.565
where: short stacking energy: -156.516
Base-Backbone interact. energy: -0.002
local terms energy: -141.742859
where:
bonds (distance) C4'-P energy: -26.651
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -21.792
flat angles P-C4'-P energy: -23.470
tors. eta vs tors. theta energy: -47.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -526.654269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.654269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.654269 (E_RNA)
where:
Base-Base interactions energy: -389.779
where: short stacking energy: -155.043
Base-Backbone interact. energy: -0.004
local terms energy: -136.870986
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -27.867
flat angles C4'-P-C4' energy: -29.603
flat angles P-C4'-P energy: -19.246
tors. eta vs tors. theta energy: -46.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -525.412104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.412104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.412104 (E_RNA)
where:
Base-Base interactions energy: -375.472
where: short stacking energy: -150.240
Base-Backbone interact. energy: -0.931
local terms energy: -149.009776
where:
bonds (distance) C4'-P energy: -24.163
bonds (distance) P-C4' energy: -27.124
flat angles C4'-P-C4' energy: -32.823
flat angles P-C4'-P energy: -20.226
tors. eta vs tors. theta energy: -44.674
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: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -524.765807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.765807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.765807 (E_RNA)
where:
Base-Base interactions energy: -384.695
where: short stacking energy: -147.103
Base-Backbone interact. energy: -0.481
local terms energy: -139.590298
where:
bonds (distance) C4'-P energy: -23.839
bonds (distance) P-C4' energy: -27.639
flat angles C4'-P-C4' energy: -26.814
flat angles P-C4'-P energy: -17.609
tors. eta vs tors. theta energy: -43.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -299.067480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.067480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.067480 (E_RNA)
where:
Base-Base interactions energy: -185.248
where: short stacking energy: -88.663
Base-Backbone interact. energy: -0.517
local terms energy: -113.302174
where:
bonds (distance) C4'-P energy: -21.947
bonds (distance) P-C4' energy: -29.548
flat angles C4'-P-C4' energy: -28.642
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -21.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -159.827778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.827778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.827778 (E_RNA)
where:
Base-Base interactions energy: -72.910
where: short stacking energy: -40.930
Base-Backbone interact. energy: 0.147
local terms energy: -87.065293
where:
bonds (distance) C4'-P energy: -26.605
bonds (distance) P-C4' energy: -25.716
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -562.846722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.846722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.846722 (E_RNA)
where:
Base-Base interactions energy: -405.962
where: short stacking energy: -158.230
Base-Backbone interact. energy: -0.018
local terms energy: -156.866596
where:
bonds (distance) C4'-P energy: -28.163
bonds (distance) P-C4' energy: -22.700
flat angles C4'-P-C4' energy: -35.234
flat angles P-C4'-P energy: -24.149
tors. eta vs tors. theta energy: -46.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -554.859980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.859980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.859980 (E_RNA)
where:
Base-Base interactions energy: -402.171
where: short stacking energy: -159.691
Base-Backbone interact. energy: -0.003
local terms energy: -152.685475
where:
bonds (distance) C4'-P energy: -25.741
bonds (distance) P-C4' energy: -29.688
flat angles C4'-P-C4' energy: -29.913
flat angles P-C4'-P energy: -21.756
tors. eta vs tors. theta energy: -45.587
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: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -554.017646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.017646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.017646 (E_RNA)
where:
Base-Base interactions energy: -398.945
where: short stacking energy: -160.495
Base-Backbone interact. energy: -1.825
local terms energy: -153.247862
where:
bonds (distance) C4'-P energy: -24.591
bonds (distance) P-C4' energy: -27.822
flat angles C4'-P-C4' energy: -31.548
flat angles P-C4'-P energy: -19.483
tors. eta vs tors. theta energy: -49.804
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: 4
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -546.759306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.759306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.759306 (E_RNA)
where:
Base-Base interactions energy: -407.425
where: short stacking energy: -156.848
Base-Backbone interact. energy: -0.010
local terms energy: -139.324627
where:
bonds (distance) C4'-P energy: -27.536
bonds (distance) P-C4' energy: -18.596
flat angles C4'-P-C4' energy: -27.716
flat angles P-C4'-P energy: -19.322
tors. eta vs tors. theta energy: -46.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -538.311145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.311145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.311145 (E_RNA)
where:
Base-Base interactions energy: -384.257
where: short stacking energy: -150.661
Base-Backbone interact. energy: -0.918
local terms energy: -153.136255
where:
bonds (distance) C4'-P energy: -26.079
bonds (distance) P-C4' energy: -26.950
flat angles C4'-P-C4' energy: -33.187
flat angles P-C4'-P energy: -21.591
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: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -523.143044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.143044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.143044 (E_RNA)
where:
Base-Base interactions energy: -381.299
where: short stacking energy: -145.052
Base-Backbone interact. energy: 0.422
local terms energy: -142.265529
where:
bonds (distance) C4'-P energy: -26.375
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -27.495
flat angles P-C4'-P energy: -20.415
tors. eta vs tors. theta energy: -47.153
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: 7, replica: 1
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -528.357428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.357428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.357428 (E_RNA)
where:
Base-Base interactions energy: -388.323
where: short stacking energy: -149.366
Base-Backbone interact. energy: -0.324
local terms energy: -139.710166
where:
bonds (distance) C4'-P energy: -28.037
bonds (distance) P-C4' energy: -25.746
flat angles C4'-P-C4' energy: -25.930
flat angles P-C4'-P energy: -16.637
tors. eta vs tors. theta energy: -43.360
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: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -508.623114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.623114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.623114 (E_RNA)
where:
Base-Base interactions energy: -378.547
where: short stacking energy: -142.751
Base-Backbone interact. energy: 0.145
local terms energy: -130.221801
where:
bonds (distance) C4'-P energy: -22.148
bonds (distance) P-C4' energy: -18.550
flat angles C4'-P-C4' energy: -25.103
flat angles P-C4'-P energy: -19.789
tors. eta vs tors. theta energy: -44.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -363.779712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.779712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.779712 (E_RNA)
where:
Base-Base interactions energy: -254.938
where: short stacking energy: -105.816
Base-Backbone interact. energy: -1.246
local terms energy: -107.595298
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -31.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -167.585788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.585788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.585788 (E_RNA)
where:
Base-Base interactions energy: -87.975
where: short stacking energy: -46.069
Base-Backbone interact. energy: -0.282
local terms energy: -79.329233
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -25.818
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -19.575
tors. eta vs tors. theta energy: 3.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -554.508791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.508791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.508791 (E_RNA)
where:
Base-Base interactions energy: -396.968
where: short stacking energy: -154.894
Base-Backbone interact. energy: -0.963
local terms energy: -156.577888
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -28.662
flat angles C4'-P-C4' energy: -33.858
flat angles P-C4'-P energy: -19.884
tors. eta vs tors. theta energy: -47.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -562.026481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.026481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.026481 (E_RNA)
where:
Base-Base interactions energy: -396.804
where: short stacking energy: -161.184
Base-Backbone interact. energy: -1.765
local terms energy: -163.457729
where:
bonds (distance) C4'-P energy: -28.845
bonds (distance) P-C4' energy: -27.573
flat angles C4'-P-C4' energy: -35.311
flat angles P-C4'-P energy: -25.206
tors. eta vs tors. theta energy: -46.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -556.192087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.192087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.192087 (E_RNA)
where:
Base-Base interactions energy: -402.791
where: short stacking energy: -156.494
Base-Backbone interact. energy: -0.301
local terms energy: -153.099904
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -25.322
flat angles C4'-P-C4' energy: -31.562
flat angles P-C4'-P energy: -24.884
tors. eta vs tors. theta energy: -47.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -546.943744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.943744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.943744 (E_RNA)
where:
Base-Base interactions energy: -405.168
where: short stacking energy: -156.868
Base-Backbone interact. energy: -0.815
local terms energy: -140.961565
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -21.847
flat angles C4'-P-C4' energy: -28.219
flat angles P-C4'-P energy: -25.544
tors. eta vs tors. theta energy: -45.689
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: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -541.363172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.363172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.363172 (E_RNA)
where:
Base-Base interactions energy: -393.382
where: short stacking energy: -154.275
Base-Backbone interact. energy: -0.433
local terms energy: -147.548272
where:
bonds (distance) C4'-P energy: -29.790
bonds (distance) P-C4' energy: -25.190
flat angles C4'-P-C4' energy: -29.980
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: -45.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -522.501070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.501070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.501070 (E_RNA)
where:
Base-Base interactions energy: -384.886
where: short stacking energy: -144.985
Base-Backbone interact. energy: -1.206
local terms energy: -136.409814
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -22.937
flat angles C4'-P-C4' energy: -29.077
flat angles P-C4'-P energy: -19.162
tors. eta vs tors. theta energy: -44.846
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: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -526.216148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.216148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.216148 (E_RNA)
where:
Base-Base interactions energy: -380.433
where: short stacking energy: -155.101
Base-Backbone interact. energy: -1.451
local terms energy: -144.332143
where:
bonds (distance) C4'-P energy: -21.137
bonds (distance) P-C4' energy: -30.674
flat angles C4'-P-C4' energy: -28.474
flat angles P-C4'-P energy: -18.193
tors. eta vs tors. theta energy: -45.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -514.603053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.603053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.603053 (E_RNA)
where:
Base-Base interactions energy: -365.706
where: short stacking energy: -147.161
Base-Backbone interact. energy: -0.008
local terms energy: -148.889518
where:
bonds (distance) C4'-P energy: -24.900
bonds (distance) P-C4' energy: -26.352
flat angles C4'-P-C4' energy: -29.020
flat angles P-C4'-P energy: -25.682
tors. eta vs tors. theta energy: -42.935
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: 63
Temperature: 1.300000
Total energy: -397.365698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.365698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.365698 (E_RNA)
where:
Base-Base interactions energy: -276.194
where: short stacking energy: -107.238
Base-Backbone interact. energy: -0.253
local terms energy: -120.918307
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -23.586
flat angles C4'-P-C4' energy: -30.527
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -31.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -177.105022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.105022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.105022 (E_RNA)
where:
Base-Base interactions energy: -98.316
where: short stacking energy: -42.342
Base-Backbone interact. energy: -0.835
local terms energy: -77.954127
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -25.953
flat angles C4'-P-C4' energy: -23.398
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -3.481
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: 64
Temperature: 0.900000
Total energy: -570.663830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.663830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.663830 (E_RNA)
where:
Base-Base interactions energy: -414.120
where: short stacking energy: -165.430
Base-Backbone interact. energy: -0.457
local terms energy: -156.087178
where:
bonds (distance) C4'-P energy: -26.280
bonds (distance) P-C4' energy: -29.465
flat angles C4'-P-C4' energy: -33.749
flat angles P-C4'-P energy: -19.793
tors. eta vs tors. theta energy: -46.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -552.093060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.093060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.093060 (E_RNA)
where:
Base-Base interactions energy: -404.131
where: short stacking energy: -163.453
Base-Backbone interact. energy: -0.987
local terms energy: -146.974379
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -33.474
flat angles P-C4'-P energy: -26.775
tors. eta vs tors. theta energy: -48.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -550.267101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.267101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.267101 (E_RNA)
where:
Base-Base interactions energy: -393.447
where: short stacking energy: -149.923
Base-Backbone interact. energy: -1.156
local terms energy: -155.664819
where:
bonds (distance) C4'-P energy: -25.972
bonds (distance) P-C4' energy: -28.092
flat angles C4'-P-C4' energy: -33.686
flat angles P-C4'-P energy: -22.174
tors. eta vs tors. theta energy: -45.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -553.002734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.002734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.002734 (E_RNA)
where:
Base-Base interactions energy: -400.154
where: short stacking energy: -159.832
Base-Backbone interact. energy: -1.036
local terms energy: -151.812634
where:
bonds (distance) C4'-P energy: -28.353
bonds (distance) P-C4' energy: -27.056
flat angles C4'-P-C4' energy: -30.002
flat angles P-C4'-P energy: -20.005
tors. eta vs tors. theta energy: -46.397
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: 5, replica: 4
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -539.420941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.420941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.420941 (E_RNA)
where:
Base-Base interactions energy: -397.042
where: short stacking energy: -153.940
Base-Backbone interact. energy: -0.340
local terms energy: -142.038468
where:
bonds (distance) C4'-P energy: -20.542
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -33.752
flat angles P-C4'-P energy: -19.619
tors. eta vs tors. theta energy: -45.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -522.135797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.135797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.135797 (E_RNA)
where:
Base-Base interactions energy: -378.440
where: short stacking energy: -146.815
Base-Backbone interact. energy: -0.687
local terms energy: -143.008726
where:
bonds (distance) C4'-P energy: -22.540
bonds (distance) P-C4' energy: -25.922
flat angles C4'-P-C4' energy: -28.757
flat angles P-C4'-P energy: -21.454
tors. eta vs tors. theta energy: -44.336
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: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -530.630621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.630621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.630621 (E_RNA)
where:
Base-Base interactions energy: -387.350
where: short stacking energy: -149.168
Base-Backbone interact. energy: -0.785
local terms energy: -142.495480
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -19.698
flat angles C4'-P-C4' energy: -33.183
flat angles P-C4'-P energy: -20.830
tors. eta vs tors. theta energy: -47.053
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: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -511.845707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.845707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.845707 (E_RNA)
where:
Base-Base interactions energy: -371.626
where: short stacking energy: -150.871
Base-Backbone interact. energy: -0.001
local terms energy: -140.218342
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -23.168
flat angles C4'-P-C4' energy: -29.718
flat angles P-C4'-P energy: -20.690
tors. eta vs tors. theta energy: -47.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -393.490851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.490851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.490851 (E_RNA)
where:
Base-Base interactions energy: -284.476
where: short stacking energy: -111.200
Base-Backbone interact. energy: -0.322
local terms energy: -108.692041
where:
bonds (distance) C4'-P energy: -22.514
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -22.604
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -28.161
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: 10, replica: 2
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -178.248596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.248596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.248596 (E_RNA)
where:
Base-Base interactions energy: -89.033
where: short stacking energy: -53.836
Base-Backbone interact. energy: -0.166
local terms energy: -89.049409
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -25.898
flat angles C4'-P-C4' energy: -19.045
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -7.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -561.535082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.535082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.535082 (E_RNA)
where:
Base-Base interactions energy: -405.842
where: short stacking energy: -163.283
Base-Backbone interact. energy: -0.773
local terms energy: -154.920449
where:
bonds (distance) C4'-P energy: -30.087
bonds (distance) P-C4' energy: -27.569
flat angles C4'-P-C4' energy: -28.440
flat angles P-C4'-P energy: -21.805
tors. eta vs tors. theta energy: -47.020
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: 65
Temperature: 0.950000
Total energy: -557.851600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.851600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.851600 (E_RNA)
where:
Base-Base interactions energy: -407.436
where: short stacking energy: -162.207
Base-Backbone interact. energy: -0.455
local terms energy: -149.960258
where:
bonds (distance) C4'-P energy: -23.663
bonds (distance) P-C4' energy: -22.410
flat angles C4'-P-C4' energy: -33.517
flat angles P-C4'-P energy: -24.290
tors. eta vs tors. theta energy: -46.080
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: 8
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -546.793584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.793584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.793584 (E_RNA)
where:
Base-Base interactions energy: -392.744
where: short stacking energy: -151.748
Base-Backbone interact. energy: -0.024
local terms energy: -154.025440
where:
bonds (distance) C4'-P energy: -26.323
bonds (distance) P-C4' energy: -29.755
flat angles C4'-P-C4' energy: -29.171
flat angles P-C4'-P energy: -23.320
tors. eta vs tors. theta energy: -45.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -551.082018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.082018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.082018 (E_RNA)
where:
Base-Base interactions energy: -400.758
where: short stacking energy: -157.357
Base-Backbone interact. energy: -0.001
local terms energy: -150.323542
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -27.400
flat angles C4'-P-C4' energy: -32.906
flat angles P-C4'-P energy: -26.485
tors. eta vs tors. theta energy: -45.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -533.398951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.398951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.398951 (E_RNA)
where:
Base-Base interactions energy: -396.870
where: short stacking energy: -157.442
Base-Backbone interact. energy: -0.381
local terms energy: -136.147622
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -26.859
flat angles C4'-P-C4' energy: -27.969
flat angles P-C4'-P energy: -16.844
tors. eta vs tors. theta energy: -42.662
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: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -521.860462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.860462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.860462 (E_RNA)
where:
Base-Base interactions energy: -385.543
where: short stacking energy: -154.732
Base-Backbone interact. energy: -0.002
local terms energy: -136.314872
where:
bonds (distance) C4'-P energy: -23.806
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -30.146
flat angles P-C4'-P energy: -16.479
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: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -514.753694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.753694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.753694 (E_RNA)
where:
Base-Base interactions energy: -378.758
where: short stacking energy: -148.547
Base-Backbone interact. energy: -0.128
local terms energy: -135.867315
where:
bonds (distance) C4'-P energy: -20.776
bonds (distance) P-C4' energy: -27.362
flat angles C4'-P-C4' energy: -24.539
flat angles P-C4'-P energy: -21.510
tors. eta vs tors. theta energy: -41.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -508.224021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.224021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.224021 (E_RNA)
where:
Base-Base interactions energy: -372.616
where: short stacking energy: -146.477
Base-Backbone interact. energy: -0.005
local terms energy: -135.602211
where:
bonds (distance) C4'-P energy: -27.625
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -26.891
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -44.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -438.536152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.536152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.536152 (E_RNA)
where:
Base-Base interactions energy: -310.286
where: short stacking energy: -128.154
Base-Backbone interact. energy: 2.590
local terms energy: -130.840248
where:
bonds (distance) C4'-P energy: -20.939
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -31.184
flat angles P-C4'-P energy: -20.095
tors. eta vs tors. theta energy: -34.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -227.294967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.294967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.294967 (E_RNA)
where:
Base-Base interactions energy: -140.489
where: short stacking energy: -82.064
Base-Backbone interact. energy: -0.164
local terms energy: -86.642205
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -565.641106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.641106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.641106 (E_RNA)
where:
Base-Base interactions energy: -410.629
where: short stacking energy: -160.575
Base-Backbone interact. energy: -0.000
local terms energy: -155.012012
where:
bonds (distance) C4'-P energy: -21.880
bonds (distance) P-C4' energy: -28.061
flat angles C4'-P-C4' energy: -32.995
flat angles P-C4'-P energy: -22.847
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: 2, replica: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -550.561215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.561215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.561215 (E_RNA)
where:
Base-Base interactions energy: -402.768
where: short stacking energy: -157.953
Base-Backbone interact. energy: -0.002
local terms energy: -147.791401
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -29.663
flat angles C4'-P-C4' energy: -30.248
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -45.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -551.346860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.346860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.346860 (E_RNA)
where:
Base-Base interactions energy: -400.024
where: short stacking energy: -157.786
Base-Backbone interact. energy: -1.147
local terms energy: -150.175448
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -27.201
flat angles C4'-P-C4' energy: -31.728
flat angles P-C4'-P energy: -20.808
tors. eta vs tors. theta energy: -45.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -539.143272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.143272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.143272 (E_RNA)
where:
Base-Base interactions energy: -394.972
where: short stacking energy: -155.687
Base-Backbone interact. energy: -0.684
local terms energy: -143.487685
where:
bonds (distance) C4'-P energy: -23.926
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -33.093
flat angles P-C4'-P energy: -19.217
tors. eta vs tors. theta energy: -46.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -528.455555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.455555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.455555 (E_RNA)
where:
Base-Base interactions energy: -390.863
where: short stacking energy: -149.869
Base-Backbone interact. energy: -0.002
local terms energy: -137.590617
where:
bonds (distance) C4'-P energy: -25.533
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -26.777
flat angles P-C4'-P energy: -20.728
tors. eta vs tors. theta energy: -42.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -543.798651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.798651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.798651 (E_RNA)
where:
Base-Base interactions energy: -393.856
where: short stacking energy: -151.735
Base-Backbone interact. energy: -0.935
local terms energy: -149.007835
where:
bonds (distance) C4'-P energy: -22.910
bonds (distance) P-C4' energy: -28.981
flat angles C4'-P-C4' energy: -30.178
flat angles P-C4'-P energy: -20.287
tors. eta vs tors. theta energy: -46.653
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: 66
Temperature: 1.200000
Total energy: -529.300353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.300353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.300353 (E_RNA)
where:
Base-Base interactions energy: -384.883
where: short stacking energy: -144.684
Base-Backbone interact. energy: 0.079
local terms energy: -144.496962
where:
bonds (distance) C4'-P energy: -26.349
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -29.171
flat angles P-C4'-P energy: -22.401
tors. eta vs tors. theta energy: -43.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -516.303527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.303527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.303527 (E_RNA)
where:
Base-Base interactions energy: -382.189
where: short stacking energy: -149.138
Base-Backbone interact. energy: -0.482
local terms energy: -133.633006
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -18.789
flat angles C4'-P-C4' energy: -29.855
flat angles P-C4'-P energy: -22.780
tors. eta vs tors. theta energy: -43.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -442.533657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.533657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.533657 (E_RNA)
where:
Base-Base interactions energy: -323.944
where: short stacking energy: -128.539
Base-Backbone interact. energy: 0.251
local terms energy: -118.840910
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -27.332
flat angles C4'-P-C4' energy: -22.989
flat angles P-C4'-P energy: -17.541
tors. eta vs tors. theta energy: -37.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -190.654861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.654861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.654861 (E_RNA)
where:
Base-Base interactions energy: -113.750
where: short stacking energy: -61.244
Base-Backbone interact. energy: 1.821
local terms energy: -78.725853
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -8.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -559.000681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.000681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.000681 (E_RNA)
where:
Base-Base interactions energy: -405.481
where: short stacking energy: -160.688
Base-Backbone interact. energy: -0.404
local terms energy: -153.114895
where:
bonds (distance) C4'-P energy: -28.647
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -29.033
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: -46.023
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: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -557.379472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.379472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.379472 (E_RNA)
where:
Base-Base interactions energy: -409.670
where: short stacking energy: -158.197
Base-Backbone interact. energy: -0.990
local terms energy: -146.718831
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -25.367
flat angles C4'-P-C4' energy: -28.583
flat angles P-C4'-P energy: -23.020
tors. eta vs tors. theta energy: -47.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -549.714885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.714885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.714885 (E_RNA)
where:
Base-Base interactions energy: -396.609
where: short stacking energy: -151.162
Base-Backbone interact. energy: -0.514
local terms energy: -152.592150
where:
bonds (distance) C4'-P energy: -23.375
bonds (distance) P-C4' energy: -28.150
flat angles C4'-P-C4' energy: -31.429
flat angles P-C4'-P energy: -21.991
tors. eta vs tors. theta energy: -47.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -546.522497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.522497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.522497 (E_RNA)
where:
Base-Base interactions energy: -404.910
where: short stacking energy: -156.331
Base-Backbone interact. energy: -0.379
local terms energy: -141.234100
where:
bonds (distance) C4'-P energy: -23.624
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -29.791
flat angles P-C4'-P energy: -24.719
tors. eta vs tors. theta energy: -47.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -527.162263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.162263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.162263 (E_RNA)
where:
Base-Base interactions energy: -386.765
where: short stacking energy: -153.586
Base-Backbone interact. energy: -0.081
local terms energy: -140.316528
where:
bonds (distance) C4'-P energy: -24.110
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -29.788
flat angles P-C4'-P energy: -20.495
tors. eta vs tors. theta energy: -46.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -527.171809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.171809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.171809 (E_RNA)
where:
Base-Base interactions energy: -373.234
where: short stacking energy: -143.839
Base-Backbone interact. energy: -0.012
local terms energy: -153.925520
where:
bonds (distance) C4'-P energy: -29.344
bonds (distance) P-C4' energy: -27.366
flat angles C4'-P-C4' energy: -30.482
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: -46.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -524.262649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.262649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.262649 (E_RNA)
where:
Base-Base interactions energy: -384.263
where: short stacking energy: -148.225
Base-Backbone interact. energy: -0.238
local terms energy: -139.760940
where:
bonds (distance) C4'-P energy: -21.791
bonds (distance) P-C4' energy: -24.927
flat angles C4'-P-C4' energy: -28.646
flat angles P-C4'-P energy: -20.584
tors. eta vs tors. theta energy: -43.813
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: 9
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -497.261803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.261803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.261803 (E_RNA)
where:
Base-Base interactions energy: -358.275
where: short stacking energy: -137.039
Base-Backbone interact. energy: -0.028
local terms energy: -138.958082
where:
bonds (distance) C4'-P energy: -24.543
bonds (distance) P-C4' energy: -30.803
flat angles C4'-P-C4' energy: -25.864
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -40.656
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: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -498.252071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.252071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.252071 (E_RNA)
where:
Base-Base interactions energy: -367.078
where: short stacking energy: -141.320
Base-Backbone interact. energy: -0.113
local terms energy: -131.061597
where:
bonds (distance) C4'-P energy: -26.367
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -24.473
flat angles P-C4'-P energy: -19.110
tors. eta vs tors. theta energy: -40.159
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: 2
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -184.701983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.701983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.701983 (E_RNA)
where:
Base-Base interactions energy: -103.479
where: short stacking energy: -52.220
Base-Backbone interact. energy: -0.679
local terms energy: -80.543067
where:
bonds (distance) C4'-P energy: -18.792
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -20.091
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -8.055
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: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -567.352160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.352160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.352160 (E_RNA)
where:
Base-Base interactions energy: -405.962
where: short stacking energy: -157.356
Base-Backbone interact. energy: -0.864
local terms energy: -160.526748
where:
bonds (distance) C4'-P energy: -27.931
bonds (distance) P-C4' energy: -30.294
flat angles C4'-P-C4' energy: -30.876
flat angles P-C4'-P energy: -24.755
tors. eta vs tors. theta energy: -46.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -552.666899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.666899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.666899 (E_RNA)
where:
Base-Base interactions energy: -392.726
where: short stacking energy: -152.771
Base-Backbone interact. energy: -1.746
local terms energy: -158.195790
where:
bonds (distance) C4'-P energy: -28.341
bonds (distance) P-C4' energy: -24.747
flat angles C4'-P-C4' energy: -31.960
flat angles P-C4'-P energy: -25.888
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: 3, replica: 7
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -551.037733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.037733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.037733 (E_RNA)
where:
Base-Base interactions energy: -401.214
where: short stacking energy: -152.296
Base-Backbone interact. energy: -1.455
local terms energy: -148.368070
where:
bonds (distance) C4'-P energy: -28.536
bonds (distance) P-C4' energy: -26.070
flat angles C4'-P-C4' energy: -28.501
flat angles P-C4'-P energy: -19.263
tors. eta vs tors. theta energy: -45.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -549.954495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.954495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.954495 (E_RNA)
where:
Base-Base interactions energy: -388.452
where: short stacking energy: -155.540
Base-Backbone interact. energy: -0.781
local terms energy: -160.721106
where:
bonds (distance) C4'-P energy: -27.327
bonds (distance) P-C4' energy: -27.476
flat angles C4'-P-C4' energy: -33.718
flat angles P-C4'-P energy: -25.666
tors. eta vs tors. theta energy: -46.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -535.783636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.783636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.783636 (E_RNA)
where:
Base-Base interactions energy: -385.759
where: short stacking energy: -151.058
Base-Backbone interact. energy: -0.540
local terms energy: -149.485095
where:
bonds (distance) C4'-P energy: -27.726
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -32.948
flat angles P-C4'-P energy: -21.464
tors. eta vs tors. theta energy: -44.703
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: 68
Temperature: 1.150000
Total energy: -523.892812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.892812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.892812 (E_RNA)
where:
Base-Base interactions energy: -383.621
where: short stacking energy: -152.868
Base-Backbone interact. energy: -0.587
local terms energy: -139.685761
where:
bonds (distance) C4'-P energy: -21.518
bonds (distance) P-C4' energy: -24.593
flat angles C4'-P-C4' energy: -28.263
flat angles P-C4'-P energy: -21.139
tors. eta vs tors. theta energy: -44.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -520.085840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.085840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.085840 (E_RNA)
where:
Base-Base interactions energy: -383.178
where: short stacking energy: -145.586
Base-Backbone interact. energy: -0.097
local terms energy: -136.810712
where:
bonds (distance) C4'-P energy: -27.339
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -23.620
flat angles P-C4'-P energy: -19.701
tors. eta vs tors. theta energy: -42.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -531.710673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.710673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.710673 (E_RNA)
where:
Base-Base interactions energy: -395.852
where: short stacking energy: -151.617
Base-Backbone interact. energy: -0.804
local terms energy: -135.054386
where:
bonds (distance) C4'-P energy: -23.888
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -27.566
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -45.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -504.979963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.979963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.979963 (E_RNA)
where:
Base-Base interactions energy: -361.598
where: short stacking energy: -138.711
Base-Backbone interact. energy: -0.650
local terms energy: -142.731953
where:
bonds (distance) C4'-P energy: -28.630
bonds (distance) P-C4' energy: -25.594
flat angles C4'-P-C4' energy: -25.159
flat angles P-C4'-P energy: -20.350
tors. eta vs tors. theta energy: -42.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -177.249278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.249278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.249278 (E_RNA)
where:
Base-Base interactions energy: -90.483
where: short stacking energy: -54.131
Base-Backbone interact. energy: -0.539
local terms energy: -86.227836
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -30.734
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -560.177241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.177241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.177241 (E_RNA)
where:
Base-Base interactions energy: -406.283
where: short stacking energy: -159.312
Base-Backbone interact. energy: -0.416
local terms energy: -153.478050
where:
bonds (distance) C4'-P energy: -24.131
bonds (distance) P-C4' energy: -29.523
flat angles C4'-P-C4' energy: -30.835
flat angles P-C4'-P energy: -22.891
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: 2, replica: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -554.357614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.357614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.357614 (E_RNA)
where:
Base-Base interactions energy: -405.668
where: short stacking energy: -154.965
Base-Backbone interact. energy: -1.224
local terms energy: -147.465027
where:
bonds (distance) C4'-P energy: -22.126
bonds (distance) P-C4' energy: -25.123
flat angles C4'-P-C4' energy: -30.699
flat angles P-C4'-P energy: -22.588
tors. eta vs tors. theta energy: -46.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -558.469010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.469010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.469010 (E_RNA)
where:
Base-Base interactions energy: -402.863
where: short stacking energy: -156.645
Base-Backbone interact. energy: -1.454
local terms energy: -154.152187
where:
bonds (distance) C4'-P energy: -25.187
bonds (distance) P-C4' energy: -27.993
flat angles C4'-P-C4' energy: -32.108
flat angles P-C4'-P energy: -21.840
tors. eta vs tors. theta energy: -47.025
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: 4, replica: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -542.705200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.705200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.705200 (E_RNA)
where:
Base-Base interactions energy: -390.178
where: short stacking energy: -154.317
Base-Backbone interact. energy: -0.358
local terms energy: -152.168798
where:
bonds (distance) C4'-P energy: -23.239
bonds (distance) P-C4' energy: -27.458
flat angles C4'-P-C4' energy: -33.396
flat angles P-C4'-P energy: -19.956
tors. eta vs tors. theta energy: -48.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -545.999013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.999013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.999013 (E_RNA)
where:
Base-Base interactions energy: -400.637
where: short stacking energy: -158.812
Base-Backbone interact. energy: -0.012
local terms energy: -145.349900
where:
bonds (distance) C4'-P energy: -25.159
bonds (distance) P-C4' energy: -21.844
flat angles C4'-P-C4' energy: -30.929
flat angles P-C4'-P energy: -21.171
tors. eta vs tors. theta energy: -46.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -526.030382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.030382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.030382 (E_RNA)
where:
Base-Base interactions energy: -385.648
where: short stacking energy: -152.927
Base-Backbone interact. energy: -0.748
local terms energy: -139.634058
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -28.614
flat angles P-C4'-P energy: -21.387
tors. eta vs tors. theta energy: -43.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -515.312371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.312371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.312371 (E_RNA)
where:
Base-Base interactions energy: -378.514
where: short stacking energy: -150.581
Base-Backbone interact. energy: -0.167
local terms energy: -136.630859
where:
bonds (distance) C4'-P energy: -25.274
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -27.762
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -45.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -506.498885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.498885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.498885 (E_RNA)
where:
Base-Base interactions energy: -380.586
where: short stacking energy: -150.437
Base-Backbone interact. energy: -0.815
local terms energy: -125.097746
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -27.472
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -44.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -491.688714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.688714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.688714 (E_RNA)
where:
Base-Base interactions energy: -353.721
where: short stacking energy: -131.265
Base-Backbone interact. energy: -0.217
local terms energy: -137.751353
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -26.132
flat angles C4'-P-C4' energy: -28.666
flat angles P-C4'-P energy: -25.106
tors. eta vs tors. theta energy: -41.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -120.818866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.818866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.818866 (E_RNA)
where:
Base-Base interactions energy: -52.569
where: short stacking energy: -27.105
Base-Backbone interact. energy: -1.724
local terms energy: -66.525720
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -26.962
flat angles C4'-P-C4' energy: -23.457
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: 7.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -561.673542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.673542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.673542 (E_RNA)
where:
Base-Base interactions energy: -401.587
where: short stacking energy: -155.171
Base-Backbone interact. energy: -1.544
local terms energy: -158.543094
where:
bonds (distance) C4'-P energy: -28.844
bonds (distance) P-C4' energy: -27.898
flat angles C4'-P-C4' energy: -32.170
flat angles P-C4'-P energy: -21.759
tors. eta vs tors. theta energy: -47.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -551.927565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.927565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.927565 (E_RNA)
where:
Base-Base interactions energy: -397.325
where: short stacking energy: -156.047
Base-Backbone interact. energy: -0.001
local terms energy: -154.601672
where:
bonds (distance) C4'-P energy: -28.909
bonds (distance) P-C4' energy: -23.964
flat angles C4'-P-C4' energy: -30.663
flat angles P-C4'-P energy: -24.687
tors. eta vs tors. theta energy: -46.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -553.864704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.864704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.864704 (E_RNA)
where:
Base-Base interactions energy: -400.792
where: short stacking energy: -158.267
Base-Backbone interact. energy: -1.641
local terms energy: -151.431687
where:
bonds (distance) C4'-P energy: -22.688
bonds (distance) P-C4' energy: -30.312
flat angles C4'-P-C4' energy: -27.565
flat angles P-C4'-P energy: -24.179
tors. eta vs tors. theta energy: -46.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -544.738035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.738035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.738035 (E_RNA)
where:
Base-Base interactions energy: -390.131
where: short stacking energy: -151.769
Base-Backbone interact. energy: -0.579
local terms energy: -154.028235
where:
bonds (distance) C4'-P energy: -27.343
bonds (distance) P-C4' energy: -27.843
flat angles C4'-P-C4' energy: -28.602
flat angles P-C4'-P energy: -23.674
tors. eta vs tors. theta energy: -46.566
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: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -533.503581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.503581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.503581 (E_RNA)
where:
Base-Base interactions energy: -384.672
where: short stacking energy: -149.032
Base-Backbone interact. energy: -0.326
local terms energy: -148.505981
where:
bonds (distance) C4'-P energy: -23.696
bonds (distance) P-C4' energy: -27.341
flat angles C4'-P-C4' energy: -29.181
flat angles P-C4'-P energy: -20.608
tors. eta vs tors. theta energy: -47.680
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: 6
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -532.705609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.705609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.705609 (E_RNA)
where:
Base-Base interactions energy: -391.885
where: short stacking energy: -157.072
Base-Backbone interact. energy: 1.279
local terms energy: -142.099846
where:
bonds (distance) C4'-P energy: -23.539
bonds (distance) P-C4' energy: -23.677
flat angles C4'-P-C4' energy: -27.551
flat angles P-C4'-P energy: -21.833
tors. eta vs tors. theta energy: -45.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -527.217566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.217566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.217566 (E_RNA)
where:
Base-Base interactions energy: -387.218
where: short stacking energy: -148.412
Base-Backbone interact. energy: -1.315
local terms energy: -138.684125
where:
bonds (distance) C4'-P energy: -25.111
bonds (distance) P-C4' energy: -28.011
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -22.170
tors. eta vs tors. theta energy: -45.733
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: 8, replica: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -511.514374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.514374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.514374 (E_RNA)
where:
Base-Base interactions energy: -365.500
where: short stacking energy: -137.884
Base-Backbone interact. energy: -0.974
local terms energy: -145.040625
where:
bonds (distance) C4'-P energy: -24.432
bonds (distance) P-C4' energy: -27.935
flat angles C4'-P-C4' energy: -31.335
flat angles P-C4'-P energy: -16.331
tors. eta vs tors. theta energy: -45.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -482.092736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.092736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.092736 (E_RNA)
where:
Base-Base interactions energy: -348.346
where: short stacking energy: -134.132
Base-Backbone interact. energy: -0.899
local terms energy: -132.848236
where:
bonds (distance) C4'-P energy: -23.579
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -27.806
flat angles P-C4'-P energy: -18.240
tors. eta vs tors. theta energy: -41.583
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: 70
Temperature: 1.350000
Total energy: -129.817972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.817972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.817972 (E_RNA)
where:
Base-Base interactions energy: -56.449
where: short stacking energy: -42.592
Base-Backbone interact. energy: -0.275
local terms energy: -73.094368
where:
bonds (distance) C4'-P energy: -19.858
bonds (distance) P-C4' energy: -26.166
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: 0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -565.383164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.383164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.383164 (E_RNA)
where:
Base-Base interactions energy: -412.932
where: short stacking energy: -161.331
Base-Backbone interact. energy: -0.475
local terms energy: -151.976765
where:
bonds (distance) C4'-P energy: -25.769
bonds (distance) P-C4' energy: -26.498
flat angles C4'-P-C4' energy: -28.720
flat angles P-C4'-P energy: -23.400
tors. eta vs tors. theta energy: -47.590
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: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -550.858215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.858215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.858215 (E_RNA)
where:
Base-Base interactions energy: -400.514
where: short stacking energy: -153.125
Base-Backbone interact. energy: -0.440
local terms energy: -149.904280
where:
bonds (distance) C4'-P energy: -26.353
bonds (distance) P-C4' energy: -23.575
flat angles C4'-P-C4' energy: -29.531
flat angles P-C4'-P energy: -22.325
tors. eta vs tors. theta energy: -48.120
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: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -540.880060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.880060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.880060 (E_RNA)
where:
Base-Base interactions energy: -390.608
where: short stacking energy: -150.858
Base-Backbone interact. energy: 1.272
local terms energy: -151.544242
where:
bonds (distance) C4'-P energy: -24.072
bonds (distance) P-C4' energy: -25.214
flat angles C4'-P-C4' energy: -30.562
flat angles P-C4'-P energy: -24.675
tors. eta vs tors. theta energy: -47.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -543.705769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.705769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.705769 (E_RNA)
where:
Base-Base interactions energy: -393.604
where: short stacking energy: -158.359
Base-Backbone interact. energy: -0.200
local terms energy: -149.901623
where:
bonds (distance) C4'-P energy: -25.715
bonds (distance) P-C4' energy: -27.517
flat angles C4'-P-C4' energy: -30.470
flat angles P-C4'-P energy: -21.298
tors. eta vs tors. theta energy: -44.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -533.884369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.884369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.884369 (E_RNA)
where:
Base-Base interactions energy: -390.294
where: short stacking energy: -154.667
Base-Backbone interact. energy: -0.576
local terms energy: -143.014148
where:
bonds (distance) C4'-P energy: -23.393
bonds (distance) P-C4' energy: -25.706
flat angles C4'-P-C4' energy: -28.203
flat angles P-C4'-P energy: -20.070
tors. eta vs tors. theta energy: -45.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -532.716926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.716926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.716926 (E_RNA)
where:
Base-Base interactions energy: -394.817
where: short stacking energy: -151.358
Base-Backbone interact. energy: 0.847
local terms energy: -138.746620
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -26.752
flat angles C4'-P-C4' energy: -28.039
flat angles P-C4'-P energy: -21.513
tors. eta vs tors. theta energy: -44.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -522.739489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.739489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.739489 (E_RNA)
where:
Base-Base interactions energy: -382.101
where: short stacking energy: -146.393
Base-Backbone interact. energy: -0.694
local terms energy: -139.945160
where:
bonds (distance) C4'-P energy: -22.746
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -27.223
flat angles P-C4'-P energy: -26.787
tors. eta vs tors. theta energy: -44.140
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: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -513.203365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.203365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.203365 (E_RNA)
where:
Base-Base interactions energy: -379.409
where: short stacking energy: -147.372
Base-Backbone interact. energy: -0.481
local terms energy: -133.312703
where:
bonds (distance) C4'-P energy: -20.605
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -28.382
flat angles P-C4'-P energy: -19.530
tors. eta vs tors. theta energy: -46.767
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: 71
Temperature: 1.300000
Total energy: -504.851408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.851408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.851408 (E_RNA)
where:
Base-Base interactions energy: -368.929
where: short stacking energy: -146.679
Base-Backbone interact. energy: -0.007
local terms energy: -135.914743
where:
bonds (distance) C4'-P energy: -24.678
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -27.033
flat angles P-C4'-P energy: -16.038
tors. eta vs tors. theta energy: -46.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -129.887795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.887795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.887795 (E_RNA)
where:
Base-Base interactions energy: -42.666
where: short stacking energy: -42.666
Base-Backbone interact. energy: 1.527
local terms energy: -88.749129
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -30.591
flat angles C4'-P-C4' energy: -20.981
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -1.670
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: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -565.514286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.514286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.514286 (E_RNA)
where:
Base-Base interactions energy: -402.989
where: short stacking energy: -156.881
Base-Backbone interact. energy: -0.724
local terms energy: -161.801355
where:
bonds (distance) C4'-P energy: -26.814
bonds (distance) P-C4' energy: -32.129
flat angles C4'-P-C4' energy: -31.860
flat angles P-C4'-P energy: -25.034
tors. eta vs tors. theta energy: -45.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -557.819696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.819696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.819696 (E_RNA)
where:
Base-Base interactions energy: -394.386
where: short stacking energy: -152.690
Base-Backbone interact. energy: -1.363
local terms energy: -162.071232
where:
bonds (distance) C4'-P energy: -31.216
bonds (distance) P-C4' energy: -24.778
flat angles C4'-P-C4' energy: -32.827
flat angles P-C4'-P energy: -24.842
tors. eta vs tors. theta energy: -48.408
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: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -542.381264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.381264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.381264 (E_RNA)
where:
Base-Base interactions energy: -392.045
where: short stacking energy: -153.538
Base-Backbone interact. energy: -0.339
local terms energy: -149.997766
where:
bonds (distance) C4'-P energy: -28.026
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -31.246
flat angles P-C4'-P energy: -24.085
tors. eta vs tors. theta energy: -44.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -536.229821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.229821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.229821 (E_RNA)
where:
Base-Base interactions energy: -390.388
where: short stacking energy: -152.176
Base-Backbone interact. energy: -0.291
local terms energy: -145.551273
where:
bonds (distance) C4'-P energy: -27.884
bonds (distance) P-C4' energy: -27.281
flat angles C4'-P-C4' energy: -28.510
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -46.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -537.024033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.024033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.024033 (E_RNA)
where:
Base-Base interactions energy: -394.107
where: short stacking energy: -162.154
Base-Backbone interact. energy: -0.044
local terms energy: -142.873288
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -24.485
flat angles C4'-P-C4' energy: -25.704
flat angles P-C4'-P energy: -23.117
tors. eta vs tors. theta energy: -46.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -531.498614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.498614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.498614 (E_RNA)
where:
Base-Base interactions energy: -387.234
where: short stacking energy: -152.271
Base-Backbone interact. energy: -1.364
local terms energy: -142.900345
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -27.893
flat angles P-C4'-P energy: -23.970
tors. eta vs tors. theta energy: -46.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -515.544508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.544508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.544508 (E_RNA)
where:
Base-Base interactions energy: -380.673
where: short stacking energy: -148.812
Base-Backbone interact. energy: -0.091
local terms energy: -134.780765
where:
bonds (distance) C4'-P energy: -24.995
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -24.933
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: -45.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -523.150971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.150971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.150971 (E_RNA)
where:
Base-Base interactions energy: -378.638
where: short stacking energy: -140.945
Base-Backbone interact. energy: -1.670
local terms energy: -142.842851
where:
bonds (distance) C4'-P energy: -24.291
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -29.038
flat angles P-C4'-P energy: -22.555
tors. eta vs tors. theta energy: -43.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -504.178924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.178924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.178924 (E_RNA)
where:
Base-Base interactions energy: -362.542
where: short stacking energy: -140.560
Base-Backbone interact. energy: -0.031
local terms energy: -141.605931
where:
bonds (distance) C4'-P energy: -25.330
bonds (distance) P-C4' energy: -26.516
flat angles C4'-P-C4' energy: -25.650
flat angles P-C4'-P energy: -19.796
tors. eta vs tors. theta energy: -44.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -122.324460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.324460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.324460 (E_RNA)
where:
Base-Base interactions energy: -47.852
where: short stacking energy: -31.916
Base-Backbone interact. energy: -0.267
local terms energy: -74.205907
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -26.603
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: 5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -564.235451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.235451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.235451 (E_RNA)
where:
Base-Base interactions energy: -411.241
where: short stacking energy: -159.564
Base-Backbone interact. energy: -0.058
local terms energy: -152.935864
where:
bonds (distance) C4'-P energy: -25.596
bonds (distance) P-C4' energy: -29.294
flat angles C4'-P-C4' energy: -28.660
flat angles P-C4'-P energy: -22.741
tors. eta vs tors. theta energy: -46.644
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: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -546.357087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.357087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.357087 (E_RNA)
where:
Base-Base interactions energy: -401.161
where: short stacking energy: -158.799
Base-Backbone interact. energy: -0.001
local terms energy: -145.194289
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -28.876
flat angles C4'-P-C4' energy: -31.820
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -46.007
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: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -548.084336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.084336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.084336 (E_RNA)
where:
Base-Base interactions energy: -403.813
where: short stacking energy: -162.381
Base-Backbone interact. energy: -0.243
local terms energy: -144.028061
where:
bonds (distance) C4'-P energy: -21.183
bonds (distance) P-C4' energy: -28.596
flat angles C4'-P-C4' energy: -30.731
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -47.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -547.641677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.641677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.641677 (E_RNA)
where:
Base-Base interactions energy: -393.298
where: short stacking energy: -153.210
Base-Backbone interact. energy: -0.558
local terms energy: -153.785222
where:
bonds (distance) C4'-P energy: -26.308
bonds (distance) P-C4' energy: -29.026
flat angles C4'-P-C4' energy: -31.205
flat angles P-C4'-P energy: -19.224
tors. eta vs tors. theta energy: -48.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -529.866986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.866986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.866986 (E_RNA)
where:
Base-Base interactions energy: -382.574
where: short stacking energy: -147.762
Base-Backbone interact. energy: -0.537
local terms energy: -146.756149
where:
bonds (distance) C4'-P energy: -23.492
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -29.648
flat angles P-C4'-P energy: -25.453
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: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -533.141224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.141224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.141224 (E_RNA)
where:
Base-Base interactions energy: -393.965
where: short stacking energy: -152.940
Base-Backbone interact. energy: -0.491
local terms energy: -138.684493
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -24.419
flat angles C4'-P-C4' energy: -25.437
flat angles P-C4'-P energy: -20.608
tors. eta vs tors. theta energy: -47.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -512.293637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.293637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.293637 (E_RNA)
where:
Base-Base interactions energy: -371.157
where: short stacking energy: -151.944
Base-Backbone interact. energy: -0.805
local terms energy: -140.332240
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -28.698
flat angles P-C4'-P energy: -21.062
tors. eta vs tors. theta energy: -42.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -512.686459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.686459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.686459 (E_RNA)
where:
Base-Base interactions energy: -376.182
where: short stacking energy: -147.576
Base-Backbone interact. energy: -0.002
local terms energy: -136.502506
where:
bonds (distance) C4'-P energy: -27.886
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -26.007
flat angles P-C4'-P energy: -19.140
tors. eta vs tors. theta energy: -43.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -503.905199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.905199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.905199 (E_RNA)
where:
Base-Base interactions energy: -383.265
where: short stacking energy: -146.199
Base-Backbone interact. energy: -0.601
local terms energy: -120.038681
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -25.534
flat angles P-C4'-P energy: -19.805
tors. eta vs tors. theta energy: -40.882
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: 10, replica: 2
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -131.950537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.950537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.950537 (E_RNA)
where:
Base-Base interactions energy: -54.198
where: short stacking energy: -50.740
Base-Backbone interact. energy: 2.809
local terms energy: -80.561206
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -20.708
flat angles C4'-P-C4' energy: -26.794
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -564.012195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.012195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.012195 (E_RNA)
where:
Base-Base interactions energy: -399.949
where: short stacking energy: -154.507
Base-Backbone interact. energy: -1.317
local terms energy: -162.746086
where:
bonds (distance) C4'-P energy: -32.732
bonds (distance) P-C4' energy: -29.738
flat angles C4'-P-C4' energy: -27.570
flat angles P-C4'-P energy: -24.184
tors. eta vs tors. theta energy: -48.521
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: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -554.709793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.709793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.709793 (E_RNA)
where:
Base-Base interactions energy: -396.178
where: short stacking energy: -153.981
Base-Backbone interact. energy: -0.353
local terms energy: -158.178657
where:
bonds (distance) C4'-P energy: -27.322
bonds (distance) P-C4' energy: -30.732
flat angles C4'-P-C4' energy: -30.905
flat angles P-C4'-P energy: -22.860
tors. eta vs tors. theta energy: -46.359
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: 3, replica: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -547.823753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.823753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.823753 (E_RNA)
where:
Base-Base interactions energy: -395.454
where: short stacking energy: -155.241
Base-Backbone interact. energy: -2.089
local terms energy: -150.281145
where:
bonds (distance) C4'-P energy: -24.723
bonds (distance) P-C4' energy: -23.975
flat angles C4'-P-C4' energy: -29.650
flat angles P-C4'-P energy: -23.854
tors. eta vs tors. theta energy: -48.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -550.230361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.230361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.230361 (E_RNA)
where:
Base-Base interactions energy: -397.139
where: short stacking energy: -152.729
Base-Backbone interact. energy: -0.001
local terms energy: -153.090290
where:
bonds (distance) C4'-P energy: -24.411
bonds (distance) P-C4' energy: -28.484
flat angles C4'-P-C4' energy: -30.162
flat angles P-C4'-P energy: -22.305
tors. eta vs tors. theta energy: -47.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -533.326437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.326437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.326437 (E_RNA)
where:
Base-Base interactions energy: -380.749
where: short stacking energy: -145.756
Base-Backbone interact. energy: -1.009
local terms energy: -151.567951
where:
bonds (distance) C4'-P energy: -29.099
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -32.848
flat angles P-C4'-P energy: -19.855
tors. eta vs tors. theta energy: -46.129
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: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -522.841582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.841582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.841582 (E_RNA)
where:
Base-Base interactions energy: -375.666
where: short stacking energy: -141.037
Base-Backbone interact. energy: -0.047
local terms energy: -147.128803
where:
bonds (distance) C4'-P energy: -23.286
bonds (distance) P-C4' energy: -28.274
flat angles C4'-P-C4' energy: -25.435
flat angles P-C4'-P energy: -23.307
tors. eta vs tors. theta energy: -46.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -516.105259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.105259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.105259 (E_RNA)
where:
Base-Base interactions energy: -385.001
where: short stacking energy: -145.796
Base-Backbone interact. energy: 2.108
local terms energy: -133.212946
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -25.764
flat angles C4'-P-C4' energy: -31.333
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -43.778
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: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -524.031002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.031002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.031002 (E_RNA)
where:
Base-Base interactions energy: -376.869
where: short stacking energy: -151.856
Base-Backbone interact. energy: -0.402
local terms energy: -146.759565
where:
bonds (distance) C4'-P energy: -22.750
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -31.251
flat angles P-C4'-P energy: -20.667
tors. eta vs tors. theta energy: -47.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -521.175775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.175775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.175775 (E_RNA)
where:
Base-Base interactions energy: -383.635
where: short stacking energy: -152.198
Base-Backbone interact. energy: -1.062
local terms energy: -136.478740
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -26.408
flat angles C4'-P-C4' energy: -29.031
flat angles P-C4'-P energy: -18.519
tors. eta vs tors. theta energy: -45.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -123.105421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.105421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.105421 (E_RNA)
where:
Base-Base interactions energy: -49.200
where: short stacking energy: -43.975
Base-Backbone interact. energy: -1.323
local terms energy: -72.582213
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -15.711
tors. eta vs tors. theta energy: -2.492
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: 75
Temperature: 0.900000
Total energy: -559.429898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.429898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.429898 (E_RNA)
where:
Base-Base interactions energy: -402.145
where: short stacking energy: -156.344
Base-Backbone interact. energy: -0.434
local terms energy: -156.850408
where:
bonds (distance) C4'-P energy: -26.943
bonds (distance) P-C4' energy: -27.045
flat angles C4'-P-C4' energy: -31.944
flat angles P-C4'-P energy: -24.225
tors. eta vs tors. theta energy: -46.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -559.826900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.826900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.826900 (E_RNA)
where:
Base-Base interactions energy: -411.210
where: short stacking energy: -159.956
Base-Backbone interact. energy: -0.000
local terms energy: -148.616047
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -31.952
flat angles P-C4'-P energy: -22.587
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: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -550.203413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.203413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.203413 (E_RNA)
where:
Base-Base interactions energy: -402.006
where: short stacking energy: -154.657
Base-Backbone interact. energy: -0.405
local terms energy: -147.792235
where:
bonds (distance) C4'-P energy: -25.999
bonds (distance) P-C4' energy: -22.079
flat angles C4'-P-C4' energy: -31.636
flat angles P-C4'-P energy: -21.291
tors. eta vs tors. theta energy: -46.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -540.955023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.955023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.955023 (E_RNA)
where:
Base-Base interactions energy: -395.973
where: short stacking energy: -155.677
Base-Backbone interact. energy: -0.000
local terms energy: -144.981735
where:
bonds (distance) C4'-P energy: -27.844
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -28.540
flat angles P-C4'-P energy: -23.210
tors. eta vs tors. theta energy: -45.558
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: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -531.813179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.813179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.813179 (E_RNA)
where:
Base-Base interactions energy: -389.189
where: short stacking energy: -149.701
Base-Backbone interact. energy: -0.042
local terms energy: -142.583041
where:
bonds (distance) C4'-P energy: -22.473
bonds (distance) P-C4' energy: -25.826
flat angles C4'-P-C4' energy: -30.212
flat angles P-C4'-P energy: -19.340
tors. eta vs tors. theta energy: -44.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -529.572808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.572808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.572808 (E_RNA)
where:
Base-Base interactions energy: -377.064
where: short stacking energy: -143.184
Base-Backbone interact. energy: -0.463
local terms energy: -152.046466
where:
bonds (distance) C4'-P energy: -24.740
bonds (distance) P-C4' energy: -29.390
flat angles C4'-P-C4' energy: -28.784
flat angles P-C4'-P energy: -22.299
tors. eta vs tors. theta energy: -46.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -509.705650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.705650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.705650 (E_RNA)
where:
Base-Base interactions energy: -374.191
where: short stacking energy: -142.851
Base-Backbone interact. energy: -0.002
local terms energy: -135.512650
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -25.596
flat angles C4'-P-C4' energy: -28.618
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -44.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -505.696632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.696632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.696632 (E_RNA)
where:
Base-Base interactions energy: -381.648
where: short stacking energy: -149.390
Base-Backbone interact. energy: -0.579
local terms energy: -123.468780
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -25.246
flat angles C4'-P-C4' energy: -27.744
flat angles P-C4'-P energy: -14.468
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: 9, replica: 1
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -482.780655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.780655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.780655 (E_RNA)
where:
Base-Base interactions energy: -355.581
where: short stacking energy: -137.088
Base-Backbone interact. energy: 1.078
local terms energy: -128.277700
where:
bonds (distance) C4'-P energy: -25.237
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -30.100
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -36.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -121.371476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.371476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.371476 (E_RNA)
where:
Base-Base interactions energy: -37.406
where: short stacking energy: -25.474
Base-Backbone interact. energy: -1.123
local terms energy: -82.843021
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -22.587
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -18.324
tors. eta vs tors. theta energy: 1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -566.930201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.930201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.930201 (E_RNA)
where:
Base-Base interactions energy: -411.259
where: short stacking energy: -165.155
Base-Backbone interact. energy: -0.959
local terms energy: -154.711837
where:
bonds (distance) C4'-P energy: -26.495
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -33.067
flat angles P-C4'-P energy: -24.997
tors. eta vs tors. theta energy: -49.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -554.848337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.848337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.848337 (E_RNA)
where:
Base-Base interactions energy: -406.839
where: short stacking energy: -162.983
Base-Backbone interact. energy: -0.791
local terms energy: -147.218326
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -30.824
flat angles P-C4'-P energy: -25.487
tors. eta vs tors. theta energy: -46.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -548.529310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.529310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.529310 (E_RNA)
where:
Base-Base interactions energy: -397.936
where: short stacking energy: -155.335
Base-Backbone interact. energy: -0.951
local terms energy: -149.642922
where:
bonds (distance) C4'-P energy: -26.926
bonds (distance) P-C4' energy: -29.622
flat angles C4'-P-C4' energy: -29.076
flat angles P-C4'-P energy: -17.337
tors. eta vs tors. theta energy: -46.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -541.409564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.409564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.409564 (E_RNA)
where:
Base-Base interactions energy: -391.631
where: short stacking energy: -152.938
Base-Backbone interact. energy: -1.188
local terms energy: -148.591060
where:
bonds (distance) C4'-P energy: -26.944
bonds (distance) P-C4' energy: -26.757
flat angles C4'-P-C4' energy: -29.152
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -45.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -541.424005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.424005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.424005 (E_RNA)
where:
Base-Base interactions energy: -393.606
where: short stacking energy: -150.350
Base-Backbone interact. energy: -0.300
local terms energy: -147.518354
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -30.516
flat angles P-C4'-P energy: -23.628
tors. eta vs tors. theta energy: -47.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -526.692951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.692951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.692951 (E_RNA)
where:
Base-Base interactions energy: -392.609
where: short stacking energy: -149.922
Base-Backbone interact. energy: 0.942
local terms energy: -135.025962
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -25.932
flat angles P-C4'-P energy: -22.952
tors. eta vs tors. theta energy: -42.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -516.814670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.814670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.814670 (E_RNA)
where:
Base-Base interactions energy: -371.098
where: short stacking energy: -143.548
Base-Backbone interact. energy: -1.293
local terms energy: -144.423794
where:
bonds (distance) C4'-P energy: -24.067
bonds (distance) P-C4' energy: -27.055
flat angles C4'-P-C4' energy: -30.910
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -46.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -507.555911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.555911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.555911 (E_RNA)
where:
Base-Base interactions energy: -366.151
where: short stacking energy: -142.799
Base-Backbone interact. energy: -0.100
local terms energy: -141.304637
where:
bonds (distance) C4'-P energy: -27.227
bonds (distance) P-C4' energy: -24.895
flat angles C4'-P-C4' energy: -28.096
flat angles P-C4'-P energy: -17.460
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: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -494.818138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.818138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.818138 (E_RNA)
where:
Base-Base interactions energy: -373.514
where: short stacking energy: -142.376
Base-Backbone interact. energy: -0.005
local terms energy: -121.299439
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -23.467
flat angles C4'-P-C4' energy: -24.605
flat angles P-C4'-P energy: -19.111
tors. eta vs tors. theta energy: -37.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -135.945336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.945336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.945336 (E_RNA)
where:
Base-Base interactions energy: -47.646
where: short stacking energy: -38.921
Base-Backbone interact. energy: 2.181
local terms energy: -90.481012
where:
bonds (distance) C4'-P energy: -28.246
bonds (distance) P-C4' energy: -31.872
flat angles C4'-P-C4' energy: -20.625
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -0.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -564.216834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.216834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.216834 (E_RNA)
where:
Base-Base interactions energy: -412.186
where: short stacking energy: -158.193
Base-Backbone interact. energy: -1.327
local terms energy: -150.703804
where:
bonds (distance) C4'-P energy: -23.380
bonds (distance) P-C4' energy: -26.183
flat angles C4'-P-C4' energy: -29.129
flat angles P-C4'-P energy: -23.619
tors. eta vs tors. theta energy: -48.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -553.745472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.745472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.745472 (E_RNA)
where:
Base-Base interactions energy: -396.481
where: short stacking energy: -159.748
Base-Backbone interact. energy: -0.739
local terms energy: -156.525853
where:
bonds (distance) C4'-P energy: -27.167
bonds (distance) P-C4' energy: -28.349
flat angles C4'-P-C4' energy: -34.260
flat angles P-C4'-P energy: -18.192
tors. eta vs tors. theta energy: -48.558
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: 77
Temperature: 1.000000
Total energy: -549.110722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.110722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.110722 (E_RNA)
where:
Base-Base interactions energy: -391.898
where: short stacking energy: -153.100
Base-Backbone interact. energy: -0.812
local terms energy: -156.400225
where:
bonds (distance) C4'-P energy: -23.907
bonds (distance) P-C4' energy: -29.649
flat angles C4'-P-C4' energy: -33.814
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: -46.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -546.899958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.899958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.899958 (E_RNA)
where:
Base-Base interactions energy: -391.099
where: short stacking energy: -155.846
Base-Backbone interact. energy: -1.371
local terms energy: -154.430801
where:
bonds (distance) C4'-P energy: -27.020
bonds (distance) P-C4' energy: -26.579
flat angles C4'-P-C4' energy: -27.961
flat angles P-C4'-P energy: -26.613
tors. eta vs tors. theta energy: -46.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -533.061331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.061331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.061331 (E_RNA)
where:
Base-Base interactions energy: -387.637
where: short stacking energy: -157.588
Base-Backbone interact. energy: -0.460
local terms energy: -144.963937
where:
bonds (distance) C4'-P energy: -25.974
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -24.901
flat angles P-C4'-P energy: -21.746
tors. eta vs tors. theta energy: -48.363
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: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -531.886457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.886457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.886457 (E_RNA)
where:
Base-Base interactions energy: -384.523
where: short stacking energy: -154.785
Base-Backbone interact. energy: -0.260
local terms energy: -147.103982
where:
bonds (distance) C4'-P energy: -25.343
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -30.596
flat angles P-C4'-P energy: -19.843
tors. eta vs tors. theta energy: -46.998
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: 77
Temperature: 1.200000
Total energy: -520.270766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.270766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.270766 (E_RNA)
where:
Base-Base interactions energy: -385.262
where: short stacking energy: -148.747
Base-Backbone interact. energy: -0.084
local terms energy: -134.924434
where:
bonds (distance) C4'-P energy: -25.635
bonds (distance) P-C4' energy: -18.635
flat angles C4'-P-C4' energy: -28.816
flat angles P-C4'-P energy: -19.489
tors. eta vs tors. theta energy: -42.349
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: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -518.185280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.185280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.185280 (E_RNA)
where:
Base-Base interactions energy: -378.180
where: short stacking energy: -143.792
Base-Backbone interact. energy: -1.224
local terms energy: -138.781251
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -30.955
flat angles P-C4'-P energy: -22.797
tors. eta vs tors. theta energy: -45.019
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: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -504.832882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.832882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.832882 (E_RNA)
where:
Base-Base interactions energy: -355.126
where: short stacking energy: -137.736
Base-Backbone interact. energy: -0.011
local terms energy: -149.695684
where:
bonds (distance) C4'-P energy: -27.429
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -30.488
flat angles P-C4'-P energy: -21.296
tors. eta vs tors. theta energy: -45.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -168.895005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.895005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.895005 (E_RNA)
where:
Base-Base interactions energy: -72.197
where: short stacking energy: -41.805
Base-Backbone interact. energy: -0.695
local terms energy: -96.003527
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -25.295
flat angles C4'-P-C4' energy: -24.451
flat angles P-C4'-P energy: -21.715
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -564.713133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.713133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.713133 (E_RNA)
where:
Base-Base interactions energy: -409.112
where: short stacking energy: -160.201
Base-Backbone interact. energy: -0.139
local terms energy: -155.462392
where:
bonds (distance) C4'-P energy: -25.038
bonds (distance) P-C4' energy: -30.198
flat angles C4'-P-C4' energy: -30.224
flat angles P-C4'-P energy: -24.542
tors. eta vs tors. theta energy: -45.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -553.166539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.166539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.166539 (E_RNA)
where:
Base-Base interactions energy: -396.266
where: short stacking energy: -155.341
Base-Backbone interact. energy: -1.172
local terms energy: -155.728664
where:
bonds (distance) C4'-P energy: -27.760
bonds (distance) P-C4' energy: -26.953
flat angles C4'-P-C4' energy: -31.275
flat angles P-C4'-P energy: -22.087
tors. eta vs tors. theta energy: -47.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -550.895186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.895186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.895186 (E_RNA)
where:
Base-Base interactions energy: -401.911
where: short stacking energy: -154.888
Base-Backbone interact. energy: -1.327
local terms energy: -147.657077
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -27.238
flat angles C4'-P-C4' energy: -25.760
flat angles P-C4'-P energy: -27.227
tors. eta vs tors. theta energy: -45.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -546.394384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.394384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.394384 (E_RNA)
where:
Base-Base interactions energy: -393.780
where: short stacking energy: -157.965
Base-Backbone interact. energy: -1.228
local terms energy: -151.386246
where:
bonds (distance) C4'-P energy: -26.373
bonds (distance) P-C4' energy: -23.274
flat angles C4'-P-C4' energy: -28.675
flat angles P-C4'-P energy: -23.737
tors. eta vs tors. theta energy: -49.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -535.466769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.466769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.466769 (E_RNA)
where:
Base-Base interactions energy: -386.780
where: short stacking energy: -145.767
Base-Backbone interact. energy: -0.243
local terms energy: -148.444266
where:
bonds (distance) C4'-P energy: -25.205
bonds (distance) P-C4' energy: -26.378
flat angles C4'-P-C4' energy: -28.995
flat angles P-C4'-P energy: -22.237
tors. eta vs tors. theta energy: -45.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -523.564197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.564197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.564197 (E_RNA)
where:
Base-Base interactions energy: -391.499
where: short stacking energy: -149.810
Base-Backbone interact. energy: -0.157
local terms energy: -131.908483
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -27.292
flat angles P-C4'-P energy: -20.336
tors. eta vs tors. theta energy: -47.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -523.999443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.999443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.999443 (E_RNA)
where:
Base-Base interactions energy: -385.928
where: short stacking energy: -152.110
Base-Backbone interact. energy: -0.474
local terms energy: -137.596927
where:
bonds (distance) C4'-P energy: -21.196
bonds (distance) P-C4' energy: -22.498
flat angles C4'-P-C4' energy: -29.009
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -47.119
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: 78
Temperature: 1.250000
Total energy: -506.608473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.608473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.608473 (E_RNA)
where:
Base-Base interactions energy: -376.663
where: short stacking energy: -144.259
Base-Backbone interact. energy: -0.493
local terms energy: -129.452880
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -17.440
flat angles C4'-P-C4' energy: -28.080
flat angles P-C4'-P energy: -22.050
tors. eta vs tors. theta energy: -40.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -519.597091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.597091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.597091 (E_RNA)
where:
Base-Base interactions energy: -381.961
where: short stacking energy: -147.275
Base-Backbone interact. energy: -0.349
local terms energy: -137.287701
where:
bonds (distance) C4'-P energy: -22.344
bonds (distance) P-C4' energy: -22.339
flat angles C4'-P-C4' energy: -24.441
flat angles P-C4'-P energy: -22.467
tors. eta vs tors. theta energy: -45.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -186.301804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.301804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.301804 (E_RNA)
where:
Base-Base interactions energy: -89.009
where: short stacking energy: -45.915
Base-Backbone interact. energy: 1.667
local terms energy: -98.960003
where:
bonds (distance) C4'-P energy: -26.039
bonds (distance) P-C4' energy: -31.406
flat angles C4'-P-C4' energy: -25.516
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -5.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -564.417981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.417981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.417981 (E_RNA)
where:
Base-Base interactions energy: -401.532
where: short stacking energy: -155.710
Base-Backbone interact. energy: -0.291
local terms energy: -162.594416
where:
bonds (distance) C4'-P energy: -26.791
bonds (distance) P-C4' energy: -29.316
flat angles C4'-P-C4' energy: -32.872
flat angles P-C4'-P energy: -26.052
tors. eta vs tors. theta energy: -47.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -561.324080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.324080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.324080 (E_RNA)
where:
Base-Base interactions energy: -404.595
where: short stacking energy: -157.779
Base-Backbone interact. energy: -0.826
local terms energy: -155.902558
where:
bonds (distance) C4'-P energy: -27.764
bonds (distance) P-C4' energy: -28.526
flat angles C4'-P-C4' energy: -29.050
flat angles P-C4'-P energy: -23.606
tors. eta vs tors. theta energy: -46.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -547.589092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.589092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.589092 (E_RNA)
where:
Base-Base interactions energy: -401.472
where: short stacking energy: -153.087
Base-Backbone interact. energy: -0.048
local terms energy: -146.069343
where:
bonds (distance) C4'-P energy: -27.292
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -27.786
flat angles P-C4'-P energy: -23.944
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: 4, replica: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -541.286651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.286651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.286651 (E_RNA)
where:
Base-Base interactions energy: -389.797
where: short stacking energy: -151.959
Base-Backbone interact. energy: -1.061
local terms energy: -150.428535
where:
bonds (distance) C4'-P energy: -28.477
bonds (distance) P-C4' energy: -26.394
flat angles C4'-P-C4' energy: -28.799
flat angles P-C4'-P energy: -20.924
tors. eta vs tors. theta energy: -45.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -534.130482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.130482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.130482 (E_RNA)
where:
Base-Base interactions energy: -383.157
where: short stacking energy: -146.951
Base-Backbone interact. energy: 0.865
local terms energy: -151.838576
where:
bonds (distance) C4'-P energy: -22.641
bonds (distance) P-C4' energy: -27.723
flat angles C4'-P-C4' energy: -31.854
flat angles P-C4'-P energy: -24.601
tors. eta vs tors. theta energy: -45.020
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: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -530.324573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.324573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.324573 (E_RNA)
where:
Base-Base interactions energy: -386.518
where: short stacking energy: -150.993
Base-Backbone interact. energy: -0.607
local terms energy: -143.199215
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -28.229
flat angles C4'-P-C4' energy: -29.596
flat angles P-C4'-P energy: -21.073
tors. eta vs tors. theta energy: -43.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -529.476754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.476754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.476754 (E_RNA)
where:
Base-Base interactions energy: -384.943
where: short stacking energy: -150.844
Base-Backbone interact. energy: -0.120
local terms energy: -144.413729
where:
bonds (distance) C4'-P energy: -28.580
bonds (distance) P-C4' energy: -27.720
flat angles C4'-P-C4' energy: -30.621
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: -42.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -514.158944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.158944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.158944 (E_RNA)
where:
Base-Base interactions energy: -377.482
where: short stacking energy: -146.917
Base-Backbone interact. energy: -0.065
local terms energy: -136.611394
where:
bonds (distance) C4'-P energy: -23.601
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -24.888
flat angles P-C4'-P energy: -19.858
tors. eta vs tors. theta energy: -44.336
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: -504.803014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.803014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.803014 (E_RNA)
where:
Base-Base interactions energy: -366.337
where: short stacking energy: -140.265
Base-Backbone interact. energy: -0.005
local terms energy: -138.460314
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -28.980
flat angles C4'-P-C4' energy: -30.699
flat angles P-C4'-P energy: -18.997
tors. eta vs tors. theta energy: -42.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -137.060612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.060612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.060612 (E_RNA)
where:
Base-Base interactions energy: -52.704
where: short stacking energy: -46.850
Base-Backbone interact. energy: -0.441
local terms energy: -83.915000
where:
bonds (distance) C4'-P energy: -19.275
bonds (distance) P-C4' energy: -22.773
flat angles C4'-P-C4' energy: -23.851
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -566.531669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.531669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.531669 (E_RNA)
where:
Base-Base interactions energy: -407.224
where: short stacking energy: -160.213
Base-Backbone interact. energy: -0.939
local terms energy: -158.369294
where:
bonds (distance) C4'-P energy: -25.710
bonds (distance) P-C4' energy: -28.357
flat angles C4'-P-C4' energy: -32.753
flat angles P-C4'-P energy: -24.260
tors. eta vs tors. theta energy: -47.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -561.197941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.197941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.197941 (E_RNA)
where:
Base-Base interactions energy: -399.677
where: short stacking energy: -155.858
Base-Backbone interact. energy: -0.001
local terms energy: -161.519676
where:
bonds (distance) C4'-P energy: -31.698
bonds (distance) P-C4' energy: -27.676
flat angles C4'-P-C4' energy: -31.196
flat angles P-C4'-P energy: -24.239
tors. eta vs tors. theta energy: -46.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -545.195939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.195939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.195939 (E_RNA)
where:
Base-Base interactions energy: -391.937
where: short stacking energy: -153.050
Base-Backbone interact. energy: -0.844
local terms energy: -152.415179
where:
bonds (distance) C4'-P energy: -25.338
bonds (distance) P-C4' energy: -28.029
flat angles C4'-P-C4' energy: -33.449
flat angles P-C4'-P energy: -18.239
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: 4, replica: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -542.173387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.173387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.173387 (E_RNA)
where:
Base-Base interactions energy: -389.546
where: short stacking energy: -159.818
Base-Backbone interact. energy: -0.919
local terms energy: -151.708343
where:
bonds (distance) C4'-P energy: -26.916
bonds (distance) P-C4' energy: -24.136
flat angles C4'-P-C4' energy: -31.573
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -47.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -534.956028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.956028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.956028 (E_RNA)
where:
Base-Base interactions energy: -391.829
where: short stacking energy: -157.895
Base-Backbone interact. energy: -0.760
local terms energy: -142.366937
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -30.379
flat angles P-C4'-P energy: -21.884
tors. eta vs tors. theta energy: -48.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -525.993459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.993459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.993459 (E_RNA)
where:
Base-Base interactions energy: -383.764
where: short stacking energy: -146.615
Base-Backbone interact. energy: -0.267
local terms energy: -141.961813
where:
bonds (distance) C4'-P energy: -25.602
bonds (distance) P-C4' energy: -22.715
flat angles C4'-P-C4' energy: -29.239
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -46.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -512.937170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.937170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.937170 (E_RNA)
where:
Base-Base interactions energy: -369.795
where: short stacking energy: -143.364
Base-Backbone interact. energy: -0.078
local terms energy: -143.064758
where:
bonds (distance) C4'-P energy: -24.387
bonds (distance) P-C4' energy: -21.814
flat angles C4'-P-C4' energy: -29.057
flat angles P-C4'-P energy: -23.474
tors. eta vs tors. theta energy: -44.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -510.203099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.203099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.203099 (E_RNA)
where:
Base-Base interactions energy: -367.588
where: short stacking energy: -150.264
Base-Backbone interact. energy: -0.000
local terms energy: -142.614865
where:
bonds (distance) C4'-P energy: -23.538
bonds (distance) P-C4' energy: -21.363
flat angles C4'-P-C4' energy: -31.599
flat angles P-C4'-P energy: -19.075
tors. eta vs tors. theta energy: -47.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -514.510631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.510631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.510631 (E_RNA)
where:
Base-Base interactions energy: -374.315
where: short stacking energy: -139.754
Base-Backbone interact. energy: -0.007
local terms energy: -140.188485
where:
bonds (distance) C4'-P energy: -23.538
bonds (distance) P-C4' energy: -23.763
flat angles C4'-P-C4' energy: -27.805
flat angles P-C4'-P energy: -20.437
tors. eta vs tors. theta energy: -44.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -152.368574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.368574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.368574 (E_RNA)
where:
Base-Base interactions energy: -64.894
where: short stacking energy: -52.400
Base-Backbone interact. energy: 0.540
local terms energy: -88.014260
where:
bonds (distance) C4'-P energy: -24.502
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -7.608
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: 6
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -556.981746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.981746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.981746 (E_RNA)
where:
Base-Base interactions energy: -396.910
where: short stacking energy: -153.059
Base-Backbone interact. energy: -0.761
local terms energy: -159.310991
where:
bonds (distance) C4'-P energy: -29.297
bonds (distance) P-C4' energy: -28.429
flat angles C4'-P-C4' energy: -31.176
flat angles P-C4'-P energy: -24.918
tors. eta vs tors. theta energy: -45.491
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: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -556.212306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.212306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.212306 (E_RNA)
where:
Base-Base interactions energy: -397.779
where: short stacking energy: -156.092
Base-Backbone interact. energy: -0.001
local terms energy: -158.431938
where:
bonds (distance) C4'-P energy: -28.155
bonds (distance) P-C4' energy: -28.759
flat angles C4'-P-C4' energy: -31.290
flat angles P-C4'-P energy: -23.371
tors. eta vs tors. theta energy: -46.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -550.828918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.828918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.828918 (E_RNA)
where:
Base-Base interactions energy: -386.286
where: short stacking energy: -146.038
Base-Backbone interact. energy: -0.236
local terms energy: -164.306906
where:
bonds (distance) C4'-P energy: -27.996
bonds (distance) P-C4' energy: -29.082
flat angles C4'-P-C4' energy: -34.948
flat angles P-C4'-P energy: -25.776
tors. eta vs tors. theta energy: -46.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -551.880225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.880225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.880225 (E_RNA)
where:
Base-Base interactions energy: -400.993
where: short stacking energy: -164.359
Base-Backbone interact. energy: -0.098
local terms energy: -150.789187
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -23.906
tors. eta vs tors. theta energy: -48.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -522.374619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.374619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.374619 (E_RNA)
where:
Base-Base interactions energy: -378.239
where: short stacking energy: -141.980
Base-Backbone interact. energy: -0.563
local terms energy: -143.572744
where:
bonds (distance) C4'-P energy: -26.014
bonds (distance) P-C4' energy: -26.912
flat angles C4'-P-C4' energy: -27.483
flat angles P-C4'-P energy: -18.295
tors. eta vs tors. theta energy: -44.869
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: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -516.261705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.261705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.261705 (E_RNA)
where:
Base-Base interactions energy: -376.333
where: short stacking energy: -144.428
Base-Backbone interact. energy: -0.044
local terms energy: -139.884448
where:
bonds (distance) C4'-P energy: -23.961
bonds (distance) P-C4' energy: -27.596
flat angles C4'-P-C4' energy: -24.293
flat angles P-C4'-P energy: -20.042
tors. eta vs tors. theta energy: -43.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -522.085660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.085660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.085660 (E_RNA)
where:
Base-Base interactions energy: -387.863
where: short stacking energy: -150.365
Base-Backbone interact. energy: -0.244
local terms energy: -133.978107
where:
bonds (distance) C4'-P energy: -26.638
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -27.979
flat angles P-C4'-P energy: -20.120
tors. eta vs tors. theta energy: -41.116
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: 8, replica: 1
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -518.490635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.490635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.490635 (E_RNA)
where:
Base-Base interactions energy: -382.720
where: short stacking energy: -147.934
Base-Backbone interact. energy: -0.612
local terms energy: -135.158111
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -27.455
flat angles P-C4'-P energy: -18.489
tors. eta vs tors. theta energy: -45.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -487.893599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.893599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.893599 (E_RNA)
where:
Base-Base interactions energy: -357.388
where: short stacking energy: -139.461
Base-Backbone interact. energy: -0.066
local terms energy: -130.440064
where:
bonds (distance) C4'-P energy: -22.946
bonds (distance) P-C4' energy: -22.296
flat angles C4'-P-C4' energy: -25.562
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -42.680
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: 81
Temperature: 1.350000
Total energy: -131.303350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.303350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.303350 (E_RNA)
where:
Base-Base interactions energy: -49.124
where: short stacking energy: -47.325
Base-Backbone interact. energy: -0.188
local terms energy: -81.991570
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -13.210
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: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -561.670667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.670667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.670667 (E_RNA)
where:
Base-Base interactions energy: -406.325
where: short stacking energy: -157.022
Base-Backbone interact. energy: -0.486
local terms energy: -154.859503
where:
bonds (distance) C4'-P energy: -23.160
bonds (distance) P-C4' energy: -28.805
flat angles C4'-P-C4' energy: -33.066
flat angles P-C4'-P energy: -24.391
tors. eta vs tors. theta energy: -45.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -550.690001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.690001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.690001 (E_RNA)
where:
Base-Base interactions energy: -401.469
where: short stacking energy: -159.772
Base-Backbone interact. energy: -0.949
local terms energy: -148.272204
where:
bonds (distance) C4'-P energy: -27.189
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -29.798
flat angles P-C4'-P energy: -20.067
tors. eta vs tors. theta energy: -47.613
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: 3, replica: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -550.278964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.278964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.278964 (E_RNA)
where:
Base-Base interactions energy: -398.605
where: short stacking energy: -152.807
Base-Backbone interact. energy: -0.303
local terms energy: -151.370835
where:
bonds (distance) C4'-P energy: -29.657
bonds (distance) P-C4' energy: -26.372
flat angles C4'-P-C4' energy: -29.989
flat angles P-C4'-P energy: -17.013
tors. eta vs tors. theta energy: -48.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -545.976068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.976068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.976068 (E_RNA)
where:
Base-Base interactions energy: -389.204
where: short stacking energy: -151.112
Base-Backbone interact. energy: -1.023
local terms energy: -155.749722
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -32.403
flat angles C4'-P-C4' energy: -30.025
flat angles P-C4'-P energy: -20.515
tors. eta vs tors. theta energy: -45.663
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: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -531.700427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.700427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.700427 (E_RNA)
where:
Base-Base interactions energy: -390.398
where: short stacking energy: -150.368
Base-Backbone interact. energy: -0.176
local terms energy: -141.127052
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -26.047
flat angles C4'-P-C4' energy: -26.807
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: -41.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -519.663482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.663482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.663482 (E_RNA)
where:
Base-Base interactions energy: -373.989
where: short stacking energy: -140.246
Base-Backbone interact. energy: -0.205
local terms energy: -145.469061
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -26.205
flat angles C4'-P-C4' energy: -32.189
flat angles P-C4'-P energy: -20.577
tors. eta vs tors. theta energy: -46.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -527.994249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.994249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.994249 (E_RNA)
where:
Base-Base interactions energy: -384.933
where: short stacking energy: -148.362
Base-Backbone interact. energy: -0.001
local terms energy: -143.060499
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -23.703
flat angles C4'-P-C4' energy: -32.057
flat angles P-C4'-P energy: -21.130
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: 8, replica: 3
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -503.878001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.878001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.878001 (E_RNA)
where:
Base-Base interactions energy: -360.356
where: short stacking energy: -132.746
Base-Backbone interact. energy: -0.233
local terms energy: -143.288667
where:
bonds (distance) C4'-P energy: -27.107
bonds (distance) P-C4' energy: -26.661
flat angles C4'-P-C4' energy: -30.011
flat angles P-C4'-P energy: -18.766
tors. eta vs tors. theta energy: -40.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -501.654032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.654032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.654032 (E_RNA)
where:
Base-Base interactions energy: -364.492
where: short stacking energy: -149.797
Base-Backbone interact. energy: -0.057
local terms energy: -137.105619
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -26.301
flat angles C4'-P-C4' energy: -28.654
flat angles P-C4'-P energy: -17.273
tors. eta vs tors. theta energy: -42.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -130.144856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.144856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.144856 (E_RNA)
where:
Base-Base interactions energy: -55.648
where: short stacking energy: -46.021
Base-Backbone interact. energy: -0.127
local terms energy: -74.370293
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -26.099
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -560.764009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.764009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.764009 (E_RNA)
where:
Base-Base interactions energy: -405.333
where: short stacking energy: -154.815
Base-Backbone interact. energy: -0.473
local terms energy: -154.957934
where:
bonds (distance) C4'-P energy: -24.288
bonds (distance) P-C4' energy: -29.493
flat angles C4'-P-C4' energy: -32.051
flat angles P-C4'-P energy: -22.993
tors. eta vs tors. theta energy: -46.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -561.456250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.456250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.456250 (E_RNA)
where:
Base-Base interactions energy: -402.024
where: short stacking energy: -155.816
Base-Backbone interact. energy: -0.285
local terms energy: -159.147214
where:
bonds (distance) C4'-P energy: -29.640
bonds (distance) P-C4' energy: -27.097
flat angles C4'-P-C4' energy: -29.446
flat angles P-C4'-P energy: -24.609
tors. eta vs tors. theta energy: -48.355
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: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -555.099418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.099418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.099418 (E_RNA)
where:
Base-Base interactions energy: -405.337
where: short stacking energy: -159.090
Base-Backbone interact. energy: -0.086
local terms energy: -149.677317
where:
bonds (distance) C4'-P energy: -26.333
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -29.513
flat angles P-C4'-P energy: -21.544
tors. eta vs tors. theta energy: -46.683
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: 4, replica: 10
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -539.221462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.221462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.221462 (E_RNA)
where:
Base-Base interactions energy: -392.111
where: short stacking energy: -156.963
Base-Backbone interact. energy: -0.280
local terms energy: -146.830022
where:
bonds (distance) C4'-P energy: -26.668
bonds (distance) P-C4' energy: -22.227
flat angles C4'-P-C4' energy: -29.471
flat angles P-C4'-P energy: -23.957
tors. eta vs tors. theta energy: -44.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -529.604585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.604585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.604585 (E_RNA)
where:
Base-Base interactions energy: -381.592
where: short stacking energy: -152.802
Base-Backbone interact. energy: 0.158
local terms energy: -148.170730
where:
bonds (distance) C4'-P energy: -27.500
bonds (distance) P-C4' energy: -26.825
flat angles C4'-P-C4' energy: -28.938
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -46.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -535.033197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.033197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.033197 (E_RNA)
where:
Base-Base interactions energy: -388.748
where: short stacking energy: -152.004
Base-Backbone interact. energy: -1.271
local terms energy: -145.013961
where:
bonds (distance) C4'-P energy: -24.479
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -27.976
flat angles P-C4'-P energy: -22.598
tors. eta vs tors. theta energy: -47.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -527.855930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.855930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.855930 (E_RNA)
where:
Base-Base interactions energy: -386.360
where: short stacking energy: -152.931
Base-Backbone interact. energy: -0.577
local terms energy: -140.918482
where:
bonds (distance) C4'-P energy: -24.892
bonds (distance) P-C4' energy: -22.844
flat angles C4'-P-C4' energy: -26.831
flat angles P-C4'-P energy: -21.608
tors. eta vs tors. theta energy: -44.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -519.883444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.883444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.883444 (E_RNA)
where:
Base-Base interactions energy: -372.006
where: short stacking energy: -140.569
Base-Backbone interact. energy: -0.025
local terms energy: -147.852185
where:
bonds (distance) C4'-P energy: -28.911
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -29.035
flat angles P-C4'-P energy: -21.102
tors. eta vs tors. theta energy: -45.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -509.355361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.355361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.355361 (E_RNA)
where:
Base-Base interactions energy: -377.170
where: short stacking energy: -150.072
Base-Backbone interact. energy: -0.001
local terms energy: -132.184077
where:
bonds (distance) C4'-P energy: -20.621
bonds (distance) P-C4' energy: -23.837
flat angles C4'-P-C4' energy: -30.394
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -42.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -121.214181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.214181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.214181 (E_RNA)
where:
Base-Base interactions energy: -47.326
where: short stacking energy: -41.078
Base-Backbone interact. energy: -0.170
local terms energy: -73.718449
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -2.034
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: 6
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -567.020054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.020054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.020054 (E_RNA)
where:
Base-Base interactions energy: -411.358
where: short stacking energy: -162.401
Base-Backbone interact. energy: -0.006
local terms energy: -155.656355
where:
bonds (distance) C4'-P energy: -27.277
bonds (distance) P-C4' energy: -26.340
flat angles C4'-P-C4' energy: -30.386
flat angles P-C4'-P energy: -22.157
tors. eta vs tors. theta energy: -49.496
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: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -555.655054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.655054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.655054 (E_RNA)
where:
Base-Base interactions energy: -400.744
where: short stacking energy: -159.772
Base-Backbone interact. energy: -0.982
local terms energy: -153.928940
where:
bonds (distance) C4'-P energy: -27.108
bonds (distance) P-C4' energy: -27.531
flat angles C4'-P-C4' energy: -32.646
flat angles P-C4'-P energy: -19.302
tors. eta vs tors. theta energy: -47.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -553.080556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.080556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.080556 (E_RNA)
where:
Base-Base interactions energy: -396.666
where: short stacking energy: -155.037
Base-Backbone interact. energy: -0.692
local terms energy: -155.722043
where:
bonds (distance) C4'-P energy: -25.804
bonds (distance) P-C4' energy: -24.674
flat angles C4'-P-C4' energy: -31.890
flat angles P-C4'-P energy: -25.839
tors. eta vs tors. theta energy: -47.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -551.171690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.171690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.171690 (E_RNA)
where:
Base-Base interactions energy: -397.811
where: short stacking energy: -152.305
Base-Backbone interact. energy: -0.042
local terms energy: -153.318379
where:
bonds (distance) C4'-P energy: -26.012
bonds (distance) P-C4' energy: -25.356
flat angles C4'-P-C4' energy: -31.719
flat angles P-C4'-P energy: -23.849
tors. eta vs tors. theta energy: -46.383
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: 5, replica: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -526.139943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.139943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.139943 (E_RNA)
where:
Base-Base interactions energy: -391.845
where: short stacking energy: -145.070
Base-Backbone interact. energy: -0.333
local terms energy: -133.961927
where:
bonds (distance) C4'-P energy: -24.240
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -29.735
flat angles P-C4'-P energy: -16.771
tors. eta vs tors. theta energy: -40.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -531.768935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.768935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.768935 (E_RNA)
where:
Base-Base interactions energy: -386.852
where: short stacking energy: -156.681
Base-Backbone interact. energy: -1.626
local terms energy: -143.290790
where:
bonds (distance) C4'-P energy: -27.517
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -25.994
flat angles P-C4'-P energy: -25.488
tors. eta vs tors. theta energy: -45.478
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: 3
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -517.145887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.145887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.145887 (E_RNA)
where:
Base-Base interactions energy: -380.921
where: short stacking energy: -144.755
Base-Backbone interact. energy: -0.421
local terms energy: -135.803877
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -20.810
flat angles C4'-P-C4' energy: -28.041
flat angles P-C4'-P energy: -24.409
tors. eta vs tors. theta energy: -45.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -515.955567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.955567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.955567 (E_RNA)
where:
Base-Base interactions energy: -388.629
where: short stacking energy: -152.700
Base-Backbone interact. energy: -0.963
local terms energy: -126.364065
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -26.468
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -44.290
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: 5
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -499.784021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.784021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.784021 (E_RNA)
where:
Base-Base interactions energy: -365.742
where: short stacking energy: -140.717
Base-Backbone interact. energy: -0.768
local terms energy: -133.273381
where:
bonds (distance) C4'-P energy: -21.311
bonds (distance) P-C4' energy: -25.922
flat angles C4'-P-C4' energy: -27.033
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -43.425
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: 84
Temperature: 1.350000
Total energy: -133.588643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.588643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.588643 (E_RNA)
where:
Base-Base interactions energy: -50.179
where: short stacking energy: -33.832
Base-Backbone interact. energy: -0.925
local terms energy: -82.485112
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -25.980
flat angles C4'-P-C4' energy: -19.850
flat angles P-C4'-P energy: -18.073
tors. eta vs tors. theta energy: 3.950
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: 1, replica: 6
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -560.683200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.683200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.683200 (E_RNA)
where:
Base-Base interactions energy: -399.139
where: short stacking energy: -155.736
Base-Backbone interact. energy: -0.186
local terms energy: -161.358564
where:
bonds (distance) C4'-P energy: -29.348
bonds (distance) P-C4' energy: -28.224
flat angles C4'-P-C4' energy: -31.501
flat angles P-C4'-P energy: -26.681
tors. eta vs tors. theta energy: -45.605
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: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -561.631167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.631167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.631167 (E_RNA)
where:
Base-Base interactions energy: -410.992
where: short stacking energy: -166.646
Base-Backbone interact. energy: -0.810
local terms energy: -149.829143
where:
bonds (distance) C4'-P energy: -27.976
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -30.320
flat angles P-C4'-P energy: -23.026
tors. eta vs tors. theta energy: -45.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -550.547158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.547158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.547158 (E_RNA)
where:
Base-Base interactions energy: -397.618
where: short stacking energy: -156.120
Base-Backbone interact. energy: -0.764
local terms energy: -152.165411
where:
bonds (distance) C4'-P energy: -32.749
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -31.268
flat angles P-C4'-P energy: -19.844
tors. eta vs tors. theta energy: -45.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -547.334256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.334256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.334256 (E_RNA)
where:
Base-Base interactions energy: -396.929
where: short stacking energy: -156.500
Base-Backbone interact. energy: 0.311
local terms energy: -150.716196
where:
bonds (distance) C4'-P energy: -26.718
bonds (distance) P-C4' energy: -23.229
flat angles C4'-P-C4' energy: -29.754
flat angles P-C4'-P energy: -22.989
tors. eta vs tors. theta energy: -48.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -533.939028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.939028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.939028 (E_RNA)
where:
Base-Base interactions energy: -388.853
where: short stacking energy: -157.282
Base-Backbone interact. energy: -0.573
local terms energy: -144.513103
where:
bonds (distance) C4'-P energy: -25.249
bonds (distance) P-C4' energy: -20.452
flat angles C4'-P-C4' energy: -29.402
flat angles P-C4'-P energy: -22.447
tors. eta vs tors. theta energy: -46.963
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: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -532.698776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.698776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.698776 (E_RNA)
where:
Base-Base interactions energy: -382.587
where: short stacking energy: -147.727
Base-Backbone interact. energy: -0.687
local terms energy: -149.425486
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -26.772
flat angles C4'-P-C4' energy: -32.997
flat angles P-C4'-P energy: -20.654
tors. eta vs tors. theta energy: -47.362
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: 3
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -517.469841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.469841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.469841 (E_RNA)
where:
Base-Base interactions energy: -386.389
where: short stacking energy: -155.758
Base-Backbone interact. energy: -0.970
local terms energy: -130.110374
where:
bonds (distance) C4'-P energy: -20.688
bonds (distance) P-C4' energy: -30.063
flat angles C4'-P-C4' energy: -26.698
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -42.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -508.091199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.091199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.091199 (E_RNA)
where:
Base-Base interactions energy: -368.953
where: short stacking energy: -146.679
Base-Backbone interact. energy: -0.003
local terms energy: -139.135273
where:
bonds (distance) C4'-P energy: -22.794
bonds (distance) P-C4' energy: -27.679
flat angles C4'-P-C4' energy: -28.109
flat angles P-C4'-P energy: -17.461
tors. eta vs tors. theta energy: -43.092
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: 9, replica: 5
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -503.781916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.781916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.781916 (E_RNA)
where:
Base-Base interactions energy: -373.243
where: short stacking energy: -145.037
Base-Backbone interact. energy: -0.106
local terms energy: -130.432603
where:
bonds (distance) C4'-P energy: -22.688
bonds (distance) P-C4' energy: -21.864
flat angles C4'-P-C4' energy: -26.891
flat angles P-C4'-P energy: -16.664
tors. eta vs tors. theta energy: -42.326
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: 85
Temperature: 1.350000
Total energy: -126.850091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.850091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.850091 (E_RNA)
where:
Base-Base interactions energy: -43.811
where: short stacking energy: -36.517
Base-Backbone interact. energy: -0.703
local terms energy: -82.336296
where:
bonds (distance) C4'-P energy: -25.236
bonds (distance) P-C4' energy: -28.678
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: 0.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -568.195163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.195163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.195163 (E_RNA)
where:
Base-Base interactions energy: -407.772
where: short stacking energy: -158.829
Base-Backbone interact. energy: -1.212
local terms energy: -159.210721
where:
bonds (distance) C4'-P energy: -29.389
bonds (distance) P-C4' energy: -29.434
flat angles C4'-P-C4' energy: -28.979
flat angles P-C4'-P energy: -22.837
tors. eta vs tors. theta energy: -48.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -553.737968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.737968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.737968 (E_RNA)
where:
Base-Base interactions energy: -403.439
where: short stacking energy: -154.385
Base-Backbone interact. energy: -1.687
local terms energy: -148.612097
where:
bonds (distance) C4'-P energy: -25.132
bonds (distance) P-C4' energy: -25.490
flat angles C4'-P-C4' energy: -30.014
flat angles P-C4'-P energy: -19.174
tors. eta vs tors. theta energy: -48.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -547.393083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.393083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.393083 (E_RNA)
where:
Base-Base interactions energy: -389.515
where: short stacking energy: -150.444
Base-Backbone interact. energy: -0.104
local terms energy: -157.773569
where:
bonds (distance) C4'-P energy: -24.405
bonds (distance) P-C4' energy: -26.216
flat angles C4'-P-C4' energy: -33.838
flat angles P-C4'-P energy: -24.131
tors. eta vs tors. theta energy: -49.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -538.960240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.960240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.960240 (E_RNA)
where:
Base-Base interactions energy: -390.984
where: short stacking energy: -152.583
Base-Backbone interact. energy: -0.192
local terms energy: -147.784176
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -25.062
flat angles C4'-P-C4' energy: -30.723
flat angles P-C4'-P energy: -23.501
tors. eta vs tors. theta energy: -47.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -532.649071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.649071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.649071 (E_RNA)
where:
Base-Base interactions energy: -394.642
where: short stacking energy: -149.427
Base-Backbone interact. energy: -0.001
local terms energy: -138.006331
where:
bonds (distance) C4'-P energy: -24.110
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -31.487
flat angles P-C4'-P energy: -19.658
tors. eta vs tors. theta energy: -45.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -527.086639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.086639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.086639 (E_RNA)
where:
Base-Base interactions energy: -381.070
where: short stacking energy: -147.027
Base-Backbone interact. energy: -0.579
local terms energy: -145.437040
where:
bonds (distance) C4'-P energy: -22.584
bonds (distance) P-C4' energy: -24.423
flat angles C4'-P-C4' energy: -28.950
flat angles P-C4'-P energy: -23.892
tors. eta vs tors. theta energy: -45.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -518.342920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.342920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.342920 (E_RNA)
where:
Base-Base interactions energy: -383.032
where: short stacking energy: -146.860
Base-Backbone interact. energy: -0.038
local terms energy: -135.272140
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -31.614
flat angles P-C4'-P energy: -20.657
tors. eta vs tors. theta energy: -41.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -503.113360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.113360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.113360 (E_RNA)
where:
Base-Base interactions energy: -382.528
where: short stacking energy: -142.668
Base-Backbone interact. energy: -0.049
local terms energy: -120.537109
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -23.108
flat angles P-C4'-P energy: -16.294
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: 9, replica: 5
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -493.910580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.910580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.910580 (E_RNA)
where:
Base-Base interactions energy: -371.131
where: short stacking energy: -144.098
Base-Backbone interact. energy: -0.157
local terms energy: -122.622869
where:
bonds (distance) C4'-P energy: -20.744
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -29.477
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -38.940
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: 10, replica: 2
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -132.488881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.488881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.488881 (E_RNA)
where:
Base-Base interactions energy: -54.379
where: short stacking energy: -43.573
Base-Backbone interact. energy: -0.600
local terms energy: -77.510510
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -6.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -555.196881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.196881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.196881 (E_RNA)
where:
Base-Base interactions energy: -403.420
where: short stacking energy: -155.749
Base-Backbone interact. energy: -0.272
local terms energy: -151.505789
where:
bonds (distance) C4'-P energy: -29.885
bonds (distance) P-C4' energy: -25.757
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -22.354
tors. eta vs tors. theta energy: -47.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -557.607962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.607962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.607962 (E_RNA)
where:
Base-Base interactions energy: -404.044
where: short stacking energy: -160.758
Base-Backbone interact. energy: 0.419
local terms energy: -153.982400
where:
bonds (distance) C4'-P energy: -24.751
bonds (distance) P-C4' energy: -31.223
flat angles C4'-P-C4' energy: -28.123
flat angles P-C4'-P energy: -23.642
tors. eta vs tors. theta energy: -46.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -551.997601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.997601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.997601 (E_RNA)
where:
Base-Base interactions energy: -398.794
where: short stacking energy: -156.079
Base-Backbone interact. energy: -0.830
local terms energy: -152.373763
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -26.339
flat angles C4'-P-C4' energy: -28.245
flat angles P-C4'-P energy: -26.569
tors. eta vs tors. theta energy: -48.096
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: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -541.377030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.377030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.377030 (E_RNA)
where:
Base-Base interactions energy: -393.330
where: short stacking energy: -151.997
Base-Backbone interact. energy: -0.051
local terms energy: -147.995937
where:
bonds (distance) C4'-P energy: -22.192
bonds (distance) P-C4' energy: -26.812
flat angles C4'-P-C4' energy: -31.762
flat angles P-C4'-P energy: -19.287
tors. eta vs tors. theta energy: -47.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -548.760475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.760475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.760475 (E_RNA)
where:
Base-Base interactions energy: -391.755
where: short stacking energy: -153.291
Base-Backbone interact. energy: -2.628
local terms energy: -154.377527
where:
bonds (distance) C4'-P energy: -29.011
bonds (distance) P-C4' energy: -23.907
flat angles C4'-P-C4' energy: -29.998
flat angles P-C4'-P energy: -24.598
tors. eta vs tors. theta energy: -46.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -525.295810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.295810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.295810 (E_RNA)
where:
Base-Base interactions energy: -380.234
where: short stacking energy: -145.157
Base-Backbone interact. energy: -0.649
local terms energy: -144.412087
where:
bonds (distance) C4'-P energy: -25.457
bonds (distance) P-C4' energy: -24.980
flat angles C4'-P-C4' energy: -29.325
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -43.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -515.717952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.717952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.717952 (E_RNA)
where:
Base-Base interactions energy: -387.181
where: short stacking energy: -144.776
Base-Backbone interact. energy: -0.060
local terms energy: -128.476851
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -28.907
flat angles P-C4'-P energy: -18.337
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: 8, replica: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -516.847718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.847718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.847718 (E_RNA)
where:
Base-Base interactions energy: -378.848
where: short stacking energy: -139.906
Base-Backbone interact. energy: -0.002
local terms energy: -137.997784
where:
bonds (distance) C4'-P energy: -21.761
bonds (distance) P-C4' energy: -23.124
flat angles C4'-P-C4' energy: -32.029
flat angles P-C4'-P energy: -20.870
tors. eta vs tors. theta energy: -40.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -508.279251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.279251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.279251 (E_RNA)
where:
Base-Base interactions energy: -378.046
where: short stacking energy: -146.470
Base-Backbone interact. energy: -1.234
local terms energy: -128.999476
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -24.942
flat angles P-C4'-P energy: -18.464
tors. eta vs tors. theta energy: -46.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -132.772363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.772363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.772363 (E_RNA)
where:
Base-Base interactions energy: -57.147
where: short stacking energy: -45.323
Base-Backbone interact. energy: -1.158
local terms energy: -74.467766
where:
bonds (distance) C4'-P energy: -25.363
bonds (distance) P-C4' energy: -23.062
flat angles C4'-P-C4' energy: -19.738
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: 0.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -568.189773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.189773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.189773 (E_RNA)
where:
Base-Base interactions energy: -409.415
where: short stacking energy: -160.327
Base-Backbone interact. energy: -1.390
local terms energy: -157.384511
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -25.502
flat angles C4'-P-C4' energy: -29.105
flat angles P-C4'-P energy: -27.181
tors. eta vs tors. theta energy: -48.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -553.321505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.321505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.321505 (E_RNA)
where:
Base-Base interactions energy: -407.606
where: short stacking energy: -154.360
Base-Backbone interact. energy: -0.961
local terms energy: -144.754631
where:
bonds (distance) C4'-P energy: -27.184
bonds (distance) P-C4' energy: -18.522
flat angles C4'-P-C4' energy: -29.315
flat angles P-C4'-P energy: -23.679
tors. eta vs tors. theta energy: -46.053
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: 1
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -548.472913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.472913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.472913 (E_RNA)
where:
Base-Base interactions energy: -399.698
where: short stacking energy: -156.331
Base-Backbone interact. energy: -1.168
local terms energy: -147.606872
where:
bonds (distance) C4'-P energy: -24.307
bonds (distance) P-C4' energy: -27.330
flat angles C4'-P-C4' energy: -30.352
flat angles P-C4'-P energy: -20.418
tors. eta vs tors. theta energy: -45.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -545.703286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.703286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.703286 (E_RNA)
where:
Base-Base interactions energy: -400.632
where: short stacking energy: -153.175
Base-Backbone interact. energy: -0.505
local terms energy: -144.566299
where:
bonds (distance) C4'-P energy: -23.821
bonds (distance) P-C4' energy: -26.684
flat angles C4'-P-C4' energy: -28.184
flat angles P-C4'-P energy: -21.896
tors. eta vs tors. theta energy: -43.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -529.150301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.150301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.150301 (E_RNA)
where:
Base-Base interactions energy: -377.814
where: short stacking energy: -144.360
Base-Backbone interact. energy: -0.856
local terms energy: -150.480203
where:
bonds (distance) C4'-P energy: -29.223
bonds (distance) P-C4' energy: -26.352
flat angles C4'-P-C4' energy: -27.837
flat angles P-C4'-P energy: -24.104
tors. eta vs tors. theta energy: -42.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -528.517574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.517574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.517574 (E_RNA)
where:
Base-Base interactions energy: -386.726
where: short stacking energy: -145.643
Base-Backbone interact. energy: -0.002
local terms energy: -141.789351
where:
bonds (distance) C4'-P energy: -22.368
bonds (distance) P-C4' energy: -22.131
flat angles C4'-P-C4' energy: -29.086
flat angles P-C4'-P energy: -22.233
tors. eta vs tors. theta energy: -45.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -512.554652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.554652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.554652 (E_RNA)
where:
Base-Base interactions energy: -373.409
where: short stacking energy: -139.759
Base-Backbone interact. energy: -1.222
local terms energy: -137.923900
where:
bonds (distance) C4'-P energy: -25.402
bonds (distance) P-C4' energy: -22.428
flat angles C4'-P-C4' energy: -25.458
flat angles P-C4'-P energy: -20.250
tors. eta vs tors. theta energy: -44.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -512.886901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.886901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.886901 (E_RNA)
where:
Base-Base interactions energy: -372.308
where: short stacking energy: -143.736
Base-Backbone interact. energy: -0.749
local terms energy: -139.829559
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -28.055
flat angles C4'-P-C4' energy: -28.024
flat angles P-C4'-P energy: -22.294
tors. eta vs tors. theta energy: -43.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -515.282354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.282354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.282354 (E_RNA)
where:
Base-Base interactions energy: -374.285
where: short stacking energy: -146.073
Base-Backbone interact. energy: -0.377
local terms energy: -140.620847
where:
bonds (distance) C4'-P energy: -27.065
bonds (distance) P-C4' energy: -24.220
flat angles C4'-P-C4' energy: -26.752
flat angles P-C4'-P energy: -21.075
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: 10, replica: 2
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -126.929488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.929488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.929488 (E_RNA)
where:
Base-Base interactions energy: -40.328
where: short stacking energy: -39.577
Base-Backbone interact. energy: -0.652
local terms energy: -85.950132
where:
bonds (distance) C4'-P energy: -25.886
bonds (distance) P-C4' energy: -28.770
flat angles C4'-P-C4' energy: -20.796
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -1.856
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: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -565.544397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.544397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.544397 (E_RNA)
where:
Base-Base interactions energy: -403.179
where: short stacking energy: -159.489
Base-Backbone interact. energy: -0.580
local terms energy: -161.785167
where:
bonds (distance) C4'-P energy: -25.740
bonds (distance) P-C4' energy: -29.430
flat angles C4'-P-C4' energy: -33.865
flat angles P-C4'-P energy: -25.406
tors. eta vs tors. theta energy: -47.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -553.363716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.363716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.363716 (E_RNA)
where:
Base-Base interactions energy: -402.138
where: short stacking energy: -154.522
Base-Backbone interact. energy: -0.802
local terms energy: -150.424401
where:
bonds (distance) C4'-P energy: -26.564
bonds (distance) P-C4' energy: -27.386
flat angles C4'-P-C4' energy: -27.733
flat angles P-C4'-P energy: -22.483
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: 3, replica: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -543.281834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.281834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.281834 (E_RNA)
where:
Base-Base interactions energy: -392.084
where: short stacking energy: -156.075
Base-Backbone interact. energy: -0.290
local terms energy: -150.907877
where:
bonds (distance) C4'-P energy: -25.025
bonds (distance) P-C4' energy: -27.574
flat angles C4'-P-C4' energy: -27.971
flat angles P-C4'-P energy: -23.027
tors. eta vs tors. theta energy: -47.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -534.284314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.284314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.284314 (E_RNA)
where:
Base-Base interactions energy: -391.485
where: short stacking energy: -144.361
Base-Backbone interact. energy: -1.389
local terms energy: -141.410369
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -23.322
flat angles C4'-P-C4' energy: -28.018
flat angles P-C4'-P energy: -23.746
tors. eta vs tors. theta energy: -42.550
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: 89
Temperature: 1.100000
Total energy: -536.204931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.204931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.204931 (E_RNA)
where:
Base-Base interactions energy: -392.226
where: short stacking energy: -156.476
Base-Backbone interact. energy: -0.371
local terms energy: -143.608239
where:
bonds (distance) C4'-P energy: -25.367
bonds (distance) P-C4' energy: -23.721
flat angles C4'-P-C4' energy: -25.784
flat angles P-C4'-P energy: -22.877
tors. eta vs tors. theta energy: -45.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -528.497452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.497452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.497452 (E_RNA)
where:
Base-Base interactions energy: -381.727
where: short stacking energy: -145.937
Base-Backbone interact. energy: -1.771
local terms energy: -144.999390
where:
bonds (distance) C4'-P energy: -25.839
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -32.143
flat angles P-C4'-P energy: -19.931
tors. eta vs tors. theta energy: -44.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -510.262559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.262559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.262559 (E_RNA)
where:
Base-Base interactions energy: -373.302
where: short stacking energy: -146.987
Base-Backbone interact. energy: 0.341
local terms energy: -137.302291
where:
bonds (distance) C4'-P energy: -21.043
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -26.847
flat angles P-C4'-P energy: -24.554
tors. eta vs tors. theta energy: -41.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -511.002412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.002412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.002412 (E_RNA)
where:
Base-Base interactions energy: -378.405
where: short stacking energy: -145.544
Base-Backbone interact. energy: -0.816
local terms energy: -131.781721
where:
bonds (distance) C4'-P energy: -26.614
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -30.522
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -40.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -500.382147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.382147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.382147 (E_RNA)
where:
Base-Base interactions energy: -369.807
where: short stacking energy: -144.684
Base-Backbone interact. energy: -1.131
local terms energy: -129.443513
where:
bonds (distance) C4'-P energy: -26.482
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -25.385
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: -41.206
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: 89
Temperature: 1.350000
Total energy: -117.190192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.190192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.190192 (E_RNA)
where:
Base-Base interactions energy: -41.258
where: short stacking energy: -25.937
Base-Backbone interact. energy: -0.050
local terms energy: -75.882823
where:
bonds (distance) C4'-P energy: -19.368
bonds (distance) P-C4' energy: -26.211
flat angles C4'-P-C4' energy: -23.365
flat angles P-C4'-P energy: -17.197
tors. eta vs tors. theta energy: 10.257
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: 8
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -561.302038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.302038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.302038 (E_RNA)
where:
Base-Base interactions energy: -405.415
where: short stacking energy: -163.261
Base-Backbone interact. energy: -0.001
local terms energy: -155.886734
where:
bonds (distance) C4'-P energy: -27.309
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -33.936
flat angles P-C4'-P energy: -22.748
tors. eta vs tors. theta energy: -46.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -556.284952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.284952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.284952 (E_RNA)
where:
Base-Base interactions energy: -406.862
where: short stacking energy: -157.824
Base-Backbone interact. energy: -0.000
local terms energy: -149.422414
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -24.056
flat angles C4'-P-C4' energy: -33.173
flat angles P-C4'-P energy: -23.647
tors. eta vs tors. theta energy: -46.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -550.574960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.574960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.574960 (E_RNA)
where:
Base-Base interactions energy: -400.984
where: short stacking energy: -160.641
Base-Backbone interact. energy: -0.020
local terms energy: -149.570660
where:
bonds (distance) C4'-P energy: -23.246
bonds (distance) P-C4' energy: -27.590
flat angles C4'-P-C4' energy: -32.185
flat angles P-C4'-P energy: -20.647
tors. eta vs tors. theta energy: -45.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -536.049225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.049225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.049225 (E_RNA)
where:
Base-Base interactions energy: -376.681
where: short stacking energy: -149.545
Base-Backbone interact. energy: -0.100
local terms energy: -159.268539
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -32.231
flat angles C4'-P-C4' energy: -31.413
flat angles P-C4'-P energy: -22.440
tors. eta vs tors. theta energy: -43.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -538.682958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.682958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.682958 (E_RNA)
where:
Base-Base interactions energy: -395.855
where: short stacking energy: -156.413
Base-Backbone interact. energy: -1.185
local terms energy: -141.642883
where:
bonds (distance) C4'-P energy: -24.639
bonds (distance) P-C4' energy: -25.614
flat angles C4'-P-C4' energy: -26.394
flat angles P-C4'-P energy: -19.137
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: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -527.855587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.855587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.855587 (E_RNA)
where:
Base-Base interactions energy: -386.452
where: short stacking energy: -148.016
Base-Backbone interact. energy: -0.235
local terms energy: -141.168482
where:
bonds (distance) C4'-P energy: -23.986
bonds (distance) P-C4' energy: -27.251
flat angles C4'-P-C4' energy: -27.408
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -44.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -522.426453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.426453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.426453 (E_RNA)
where:
Base-Base interactions energy: -383.721
where: short stacking energy: -149.467
Base-Backbone interact. energy: -0.241
local terms energy: -138.464507
where:
bonds (distance) C4'-P energy: -23.414
bonds (distance) P-C4' energy: -25.828
flat angles C4'-P-C4' energy: -26.553
flat angles P-C4'-P energy: -17.938
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: 8, replica: 3
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -509.282432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.282432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.282432 (E_RNA)
where:
Base-Base interactions energy: -374.413
where: short stacking energy: -143.963
Base-Backbone interact. energy: -0.694
local terms energy: -134.175806
where:
bonds (distance) C4'-P energy: -22.099
bonds (distance) P-C4' energy: -29.892
flat angles C4'-P-C4' energy: -20.961
flat angles P-C4'-P energy: -18.304
tors. eta vs tors. theta energy: -42.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -485.996118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.996118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.996118 (E_RNA)
where:
Base-Base interactions energy: -352.392
where: short stacking energy: -137.374
Base-Backbone interact. energy: -0.508
local terms energy: -133.096250
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -24.612
flat angles C4'-P-C4' energy: -28.627
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -42.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -139.281365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.281365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.281365 (E_RNA)
where:
Base-Base interactions energy: -53.232
where: short stacking energy: -51.841
Base-Backbone interact. energy: 0.840
local terms energy: -86.888709
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -26.776
flat angles C4'-P-C4' energy: -22.565
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -4.937
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: 8
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -560.324106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.324106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.324106 (E_RNA)
where:
Base-Base interactions energy: -398.661
where: short stacking energy: -157.488
Base-Backbone interact. energy: 0.131
local terms energy: -161.793650
where:
bonds (distance) C4'-P energy: -30.222
bonds (distance) P-C4' energy: -29.377
flat angles C4'-P-C4' energy: -29.322
flat angles P-C4'-P energy: -26.508
tors. eta vs tors. theta energy: -46.365
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: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -559.988935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.988935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.988935 (E_RNA)
where:
Base-Base interactions energy: -397.503
where: short stacking energy: -153.386
Base-Backbone interact. energy: 0.324
local terms energy: -162.809236
where:
bonds (distance) C4'-P energy: -27.524
bonds (distance) P-C4' energy: -32.691
flat angles C4'-P-C4' energy: -28.747
flat angles P-C4'-P energy: -25.026
tors. eta vs tors. theta energy: -48.821
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: 6
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -552.434745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.434745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.434745 (E_RNA)
where:
Base-Base interactions energy: -400.832
where: short stacking energy: -159.760
Base-Backbone interact. energy: -1.094
local terms energy: -150.507901
where:
bonds (distance) C4'-P energy: -23.141
bonds (distance) P-C4' energy: -26.832
flat angles C4'-P-C4' energy: -30.395
flat angles P-C4'-P energy: -23.863
tors. eta vs tors. theta energy: -46.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -549.142203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.142203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.142203 (E_RNA)
where:
Base-Base interactions energy: -400.456
where: short stacking energy: -152.383
Base-Backbone interact. energy: -1.178
local terms energy: -147.509083
where:
bonds (distance) C4'-P energy: -27.426
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -30.266
flat angles P-C4'-P energy: -23.753
tors. eta vs tors. theta energy: -46.122
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: 10
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -527.659307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.659307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.659307 (E_RNA)
where:
Base-Base interactions energy: -387.813
where: short stacking energy: -151.829
Base-Backbone interact. energy: -0.482
local terms energy: -139.364672
where:
bonds (distance) C4'-P energy: -23.793
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -25.554
flat angles P-C4'-P energy: -20.466
tors. eta vs tors. theta energy: -46.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -518.396035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.396035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.396035 (E_RNA)
where:
Base-Base interactions energy: -381.319
where: short stacking energy: -145.225
Base-Backbone interact. energy: -0.544
local terms energy: -136.532927
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -29.714
flat angles P-C4'-P energy: -21.239
tors. eta vs tors. theta energy: -42.992
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: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -519.504331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.504331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.504331 (E_RNA)
where:
Base-Base interactions energy: -385.314
where: short stacking energy: -151.641
Base-Backbone interact. energy: 0.899
local terms energy: -135.089010
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -28.213
flat angles C4'-P-C4' energy: -28.197
flat angles P-C4'-P energy: -18.641
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: 8, replica: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -513.011911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.011911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.011911 (E_RNA)
where:
Base-Base interactions energy: -377.034
where: short stacking energy: -146.569
Base-Backbone interact. energy: -0.080
local terms energy: -135.897070
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -27.292
flat angles C4'-P-C4' energy: -27.765
flat angles P-C4'-P energy: -24.431
tors. eta vs tors. theta energy: -42.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -499.265123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.265123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.265123 (E_RNA)
where:
Base-Base interactions energy: -368.194
where: short stacking energy: -145.070
Base-Backbone interact. energy: -0.930
local terms energy: -130.140561
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -26.030
flat angles P-C4'-P energy: -20.941
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: 10, replica: 2
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -199.862608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.862608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.862608 (E_RNA)
where:
Base-Base interactions energy: -108.026
where: short stacking energy: -54.690
Base-Backbone interact. energy: -0.425
local terms energy: -91.411114
where:
bonds (distance) C4'-P energy: -26.312
bonds (distance) P-C4' energy: -26.981
flat angles C4'-P-C4' energy: -22.796
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -5.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -562.077317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.077317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.077317 (E_RNA)
where:
Base-Base interactions energy: -403.945
where: short stacking energy: -156.779
Base-Backbone interact. energy: -1.198
local terms energy: -156.934248
where:
bonds (distance) C4'-P energy: -27.881
bonds (distance) P-C4' energy: -33.297
flat angles C4'-P-C4' energy: -28.930
flat angles P-C4'-P energy: -20.263
tors. eta vs tors. theta energy: -46.562
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: 92
Temperature: 0.950000
Total energy: -557.005938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.005938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.005938 (E_RNA)
where:
Base-Base interactions energy: -404.922
where: short stacking energy: -159.621
Base-Backbone interact. energy: -0.002
local terms energy: -152.081898
where:
bonds (distance) C4'-P energy: -26.444
bonds (distance) P-C4' energy: -28.973
flat angles C4'-P-C4' energy: -29.401
flat angles P-C4'-P energy: -22.032
tors. eta vs tors. theta energy: -45.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -551.738583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.738583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.738583 (E_RNA)
where:
Base-Base interactions energy: -393.908
where: short stacking energy: -148.623
Base-Backbone interact. energy: -0.640
local terms energy: -157.190618
where:
bonds (distance) C4'-P energy: -31.227
bonds (distance) P-C4' energy: -31.218
flat angles C4'-P-C4' energy: -29.567
flat angles P-C4'-P energy: -22.874
tors. eta vs tors. theta energy: -42.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -540.042430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.042430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.042430 (E_RNA)
where:
Base-Base interactions energy: -381.593
where: short stacking energy: -148.788
Base-Backbone interact. energy: -1.676
local terms energy: -156.774113
where:
bonds (distance) C4'-P energy: -26.701
bonds (distance) P-C4' energy: -25.906
flat angles C4'-P-C4' energy: -32.392
flat angles P-C4'-P energy: -24.628
tors. eta vs tors. theta energy: -47.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -518.086535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.086535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.086535 (E_RNA)
where:
Base-Base interactions energy: -382.806
where: short stacking energy: -143.988
Base-Backbone interact. energy: -1.071
local terms energy: -134.209089
where:
bonds (distance) C4'-P energy: -22.971
bonds (distance) P-C4' energy: -22.311
flat angles C4'-P-C4' energy: -28.840
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -42.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -532.034062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.034062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.034062 (E_RNA)
where:
Base-Base interactions energy: -379.007
where: short stacking energy: -144.938
Base-Backbone interact. energy: -1.775
local terms energy: -151.252359
where:
bonds (distance) C4'-P energy: -24.818
bonds (distance) P-C4' energy: -27.938
flat angles C4'-P-C4' energy: -33.221
flat angles P-C4'-P energy: -18.270
tors. eta vs tors. theta energy: -47.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -514.370155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.370155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.370155 (E_RNA)
where:
Base-Base interactions energy: -376.303
where: short stacking energy: -150.340
Base-Backbone interact. energy: -0.011
local terms energy: -138.056675
where:
bonds (distance) C4'-P energy: -25.128
bonds (distance) P-C4' energy: -25.608
flat angles C4'-P-C4' energy: -22.685
flat angles P-C4'-P energy: -18.894
tors. eta vs tors. theta energy: -45.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -512.257372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.257372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.257372 (E_RNA)
where:
Base-Base interactions energy: -381.826
where: short stacking energy: -143.859
Base-Backbone interact. energy: -0.006
local terms energy: -130.426190
where:
bonds (distance) C4'-P energy: -24.100
bonds (distance) P-C4' energy: -15.658
flat angles C4'-P-C4' energy: -26.741
flat angles P-C4'-P energy: -20.786
tors. eta vs tors. theta energy: -43.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -496.362612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.362612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.362612 (E_RNA)
where:
Base-Base interactions energy: -362.400
where: short stacking energy: -138.909
Base-Backbone interact. energy: -0.017
local terms energy: -133.945793
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -25.591
flat angles C4'-P-C4' energy: -28.877
flat angles P-C4'-P energy: -20.929
tors. eta vs tors. theta energy: -41.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -218.957002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.957002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.957002 (E_RNA)
where:
Base-Base interactions energy: -125.480
where: short stacking energy: -68.204
Base-Backbone interact. energy: 0.433
local terms energy: -93.909697
where:
bonds (distance) C4'-P energy: -24.469
bonds (distance) P-C4' energy: -23.212
flat angles C4'-P-C4' energy: -22.398
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -12.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -557.201104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.201104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.201104 (E_RNA)
where:
Base-Base interactions energy: -401.972
where: short stacking energy: -153.991
Base-Backbone interact. energy: -0.600
local terms energy: -154.629778
where:
bonds (distance) C4'-P energy: -26.531
bonds (distance) P-C4' energy: -29.501
flat angles C4'-P-C4' energy: -33.186
flat angles P-C4'-P energy: -19.907
tors. eta vs tors. theta energy: -45.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -555.599615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.599615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.599615 (E_RNA)
where:
Base-Base interactions energy: -405.794
where: short stacking energy: -159.361
Base-Backbone interact. energy: -1.297
local terms energy: -148.508570
where:
bonds (distance) C4'-P energy: -22.747
bonds (distance) P-C4' energy: -27.245
flat angles C4'-P-C4' energy: -25.589
flat angles P-C4'-P energy: -25.163
tors. eta vs tors. theta energy: -47.765
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: 3, replica: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -547.975612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.975612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.975612 (E_RNA)
where:
Base-Base interactions energy: -400.354
where: short stacking energy: -160.846
Base-Backbone interact. energy: -0.243
local terms energy: -147.378749
where:
bonds (distance) C4'-P energy: -25.637
bonds (distance) P-C4' energy: -24.400
flat angles C4'-P-C4' energy: -29.545
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -49.097
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: 4, replica: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -547.036956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.036956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.036956 (E_RNA)
where:
Base-Base interactions energy: -396.015
where: short stacking energy: -158.762
Base-Backbone interact. energy: -0.934
local terms energy: -150.088112
where:
bonds (distance) C4'-P energy: -25.708
bonds (distance) P-C4' energy: -29.416
flat angles C4'-P-C4' energy: -29.771
flat angles P-C4'-P energy: -18.532
tors. eta vs tors. theta energy: -46.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -532.616184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.616184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.616184 (E_RNA)
where:
Base-Base interactions energy: -391.839
where: short stacking energy: -150.246
Base-Backbone interact. energy: -0.001
local terms energy: -140.776554
where:
bonds (distance) C4'-P energy: -24.871
bonds (distance) P-C4' energy: -25.323
flat angles C4'-P-C4' energy: -27.448
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -46.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -527.305803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.305803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.305803 (E_RNA)
where:
Base-Base interactions energy: -384.639
where: short stacking energy: -147.013
Base-Backbone interact. energy: -0.987
local terms energy: -141.679526
where:
bonds (distance) C4'-P energy: -22.640
bonds (distance) P-C4' energy: -22.428
flat angles C4'-P-C4' energy: -29.536
flat angles P-C4'-P energy: -24.899
tors. eta vs tors. theta energy: -42.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -502.879270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.879270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.879270 (E_RNA)
where:
Base-Base interactions energy: -374.985
where: short stacking energy: -144.204
Base-Backbone interact. energy: -0.545
local terms energy: -127.349602
where:
bonds (distance) C4'-P energy: -27.064
bonds (distance) P-C4' energy: -18.581
flat angles C4'-P-C4' energy: -28.302
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -41.907
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: 8, replica: 3
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -508.165554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.165554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.165554 (E_RNA)
where:
Base-Base interactions energy: -375.691
where: short stacking energy: -140.434
Base-Backbone interact. energy: -0.076
local terms energy: -132.398396
where:
bonds (distance) C4'-P energy: -21.289
bonds (distance) P-C4' energy: -25.557
flat angles C4'-P-C4' energy: -26.590
flat angles P-C4'-P energy: -17.468
tors. eta vs tors. theta energy: -41.493
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: 5
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -507.340233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.340233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.340233 (E_RNA)
where:
Base-Base interactions energy: -368.510
where: short stacking energy: -140.690
Base-Backbone interact. energy: -0.092
local terms energy: -138.739020
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -26.094
flat angles P-C4'-P energy: -22.436
tors. eta vs tors. theta energy: -42.354
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: 93
Temperature: 1.350000
Total energy: -197.946548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.946548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.946548 (E_RNA)
where:
Base-Base interactions energy: -111.642
where: short stacking energy: -44.682
Base-Backbone interact. energy: -0.402
local terms energy: -85.902061
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -23.058
flat angles C4'-P-C4' energy: -27.389
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: -1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -552.728549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.728549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.728549 (E_RNA)
where:
Base-Base interactions energy: -395.367
where: short stacking energy: -160.433
Base-Backbone interact. energy: -0.438
local terms energy: -156.922987
where:
bonds (distance) C4'-P energy: -29.341
bonds (distance) P-C4' energy: -21.015
flat angles C4'-P-C4' energy: -31.011
flat angles P-C4'-P energy: -27.013
tors. eta vs tors. theta energy: -48.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -560.490672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.490672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.490672 (E_RNA)
where:
Base-Base interactions energy: -402.437
where: short stacking energy: -153.474
Base-Backbone interact. energy: -0.871
local terms energy: -157.182839
where:
bonds (distance) C4'-P energy: -25.540
bonds (distance) P-C4' energy: -30.640
flat angles C4'-P-C4' energy: -28.520
flat angles P-C4'-P energy: -24.379
tors. eta vs tors. theta energy: -48.104
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: 6
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -553.602797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.602797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.602797 (E_RNA)
where:
Base-Base interactions energy: -399.370
where: short stacking energy: -158.275
Base-Backbone interact. energy: -1.532
local terms energy: -152.701300
where:
bonds (distance) C4'-P energy: -29.467
bonds (distance) P-C4' energy: -26.139
flat angles C4'-P-C4' energy: -30.456
flat angles P-C4'-P energy: -18.232
tors. eta vs tors. theta energy: -48.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -540.167840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.167840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.167840 (E_RNA)
where:
Base-Base interactions energy: -392.846
where: short stacking energy: -157.400
Base-Backbone interact. energy: -0.972
local terms energy: -146.349874
where:
bonds (distance) C4'-P energy: -22.474
bonds (distance) P-C4' energy: -25.877
flat angles C4'-P-C4' energy: -27.988
flat angles P-C4'-P energy: -23.253
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: 5, replica: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -535.362246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.362246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.362246 (E_RNA)
where:
Base-Base interactions energy: -401.671
where: short stacking energy: -155.065
Base-Backbone interact. energy: -1.650
local terms energy: -132.041357
where:
bonds (distance) C4'-P energy: -20.851
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -29.005
flat angles P-C4'-P energy: -19.601
tors. eta vs tors. theta energy: -44.377
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: 6, replica: 9
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -534.800732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.800732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.800732 (E_RNA)
where:
Base-Base interactions energy: -385.637
where: short stacking energy: -151.752
Base-Backbone interact. energy: -1.861
local terms energy: -147.302661
where:
bonds (distance) C4'-P energy: -24.883
bonds (distance) P-C4' energy: -22.428
flat angles C4'-P-C4' energy: -31.334
flat angles P-C4'-P energy: -22.802
tors. eta vs tors. theta energy: -45.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -522.443191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.443191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.443191 (E_RNA)
where:
Base-Base interactions energy: -378.453
where: short stacking energy: -150.653
Base-Backbone interact. energy: -0.233
local terms energy: -143.758074
where:
bonds (distance) C4'-P energy: -26.584
bonds (distance) P-C4' energy: -23.660
flat angles C4'-P-C4' energy: -28.949
flat angles P-C4'-P energy: -19.593
tors. eta vs tors. theta energy: -44.972
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: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -511.698026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.698026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.698026 (E_RNA)
where:
Base-Base interactions energy: -377.086
where: short stacking energy: -148.262
Base-Backbone interact. energy: -1.448
local terms energy: -133.163931
where:
bonds (distance) C4'-P energy: -21.882
bonds (distance) P-C4' energy: -21.518
flat angles C4'-P-C4' energy: -25.766
flat angles P-C4'-P energy: -19.941
tors. eta vs tors. theta energy: -44.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -516.506578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.506578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.506578 (E_RNA)
where:
Base-Base interactions energy: -379.360
where: short stacking energy: -150.127
Base-Backbone interact. energy: -0.682
local terms energy: -136.464303
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -27.210
flat angles C4'-P-C4' energy: -26.854
flat angles P-C4'-P energy: -20.174
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: 10, replica: 2
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -207.193257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.193257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.193257 (E_RNA)
where:
Base-Base interactions energy: -116.777
where: short stacking energy: -63.131
Base-Backbone interact. energy: -0.469
local terms energy: -89.947049
where:
bonds (distance) C4'-P energy: -22.861
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -22.669
flat angles P-C4'-P energy: -12.351
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: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -568.053761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.053761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.053761 (E_RNA)
where:
Base-Base interactions energy: -403.752
where: short stacking energy: -161.272
Base-Backbone interact. energy: -0.742
local terms energy: -163.560430
where:
bonds (distance) C4'-P energy: -30.673
bonds (distance) P-C4' energy: -29.636
flat angles C4'-P-C4' energy: -30.348
flat angles P-C4'-P energy: -24.664
tors. eta vs tors. theta energy: -48.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -554.912997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.912997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.912997 (E_RNA)
where:
Base-Base interactions energy: -403.915
where: short stacking energy: -151.054
Base-Backbone interact. energy: -0.631
local terms energy: -150.367113
where:
bonds (distance) C4'-P energy: -26.663
bonds (distance) P-C4' energy: -25.878
flat angles C4'-P-C4' energy: -32.296
flat angles P-C4'-P energy: -20.552
tors. eta vs tors. theta energy: -44.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -550.543992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.543992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.543992 (E_RNA)
where:
Base-Base interactions energy: -398.429
where: short stacking energy: -158.463
Base-Backbone interact. energy: -0.578
local terms energy: -151.536822
where:
bonds (distance) C4'-P energy: -22.952
bonds (distance) P-C4' energy: -32.083
flat angles C4'-P-C4' energy: -31.197
flat angles P-C4'-P energy: -18.826
tors. eta vs tors. theta energy: -46.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -533.360118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.360118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.360118 (E_RNA)
where:
Base-Base interactions energy: -383.474
where: short stacking energy: -143.243
Base-Backbone interact. energy: -0.070
local terms energy: -149.816485
where:
bonds (distance) C4'-P energy: -30.971
bonds (distance) P-C4' energy: -22.726
flat angles C4'-P-C4' energy: -29.356
flat angles P-C4'-P energy: -21.242
tors. eta vs tors. theta energy: -45.521
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: 5, replica: 8
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -538.374350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.374350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.374350 (E_RNA)
where:
Base-Base interactions energy: -391.723
where: short stacking energy: -152.923
Base-Backbone interact. energy: -0.002
local terms energy: -146.649174
where:
bonds (distance) C4'-P energy: -23.968
bonds (distance) P-C4' energy: -25.281
flat angles C4'-P-C4' energy: -29.012
flat angles P-C4'-P energy: -20.749
tors. eta vs tors. theta energy: -47.639
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: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -534.268809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.268809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.268809 (E_RNA)
where:
Base-Base interactions energy: -382.860
where: short stacking energy: -145.375
Base-Backbone interact. energy: -1.432
local terms energy: -149.977175
where:
bonds (distance) C4'-P energy: -29.429
bonds (distance) P-C4' energy: -25.966
flat angles C4'-P-C4' energy: -28.586
flat angles P-C4'-P energy: -21.338
tors. eta vs tors. theta energy: -44.658
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: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -515.395527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.395527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.395527 (E_RNA)
where:
Base-Base interactions energy: -373.555
where: short stacking energy: -146.088
Base-Backbone interact. energy: -1.220
local terms energy: -140.621397
where:
bonds (distance) C4'-P energy: -24.275
bonds (distance) P-C4' energy: -26.824
flat angles C4'-P-C4' energy: -25.260
flat angles P-C4'-P energy: -18.255
tors. eta vs tors. theta energy: -46.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -517.475331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.475331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.475331 (E_RNA)
where:
Base-Base interactions energy: -389.938
where: short stacking energy: -144.514
Base-Backbone interact. energy: -0.132
local terms energy: -127.405755
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -20.247
flat angles C4'-P-C4' energy: -28.158
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -45.269
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: 9, replica: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -492.807336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.807336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.807336 (E_RNA)
where:
Base-Base interactions energy: -362.903
where: short stacking energy: -141.525
Base-Backbone interact. energy: -0.165
local terms energy: -129.739667
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -27.567
flat angles P-C4'-P energy: -21.527
tors. eta vs tors. theta energy: -43.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -210.691968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.691968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.691968 (E_RNA)
where:
Base-Base interactions energy: -128.327
where: short stacking energy: -52.464
Base-Backbone interact. energy: 0.404
local terms energy: -82.768750
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -20.776
flat angles C4'-P-C4' energy: -21.007
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -561.784213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.784213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.784213 (E_RNA)
where:
Base-Base interactions energy: -403.934
where: short stacking energy: -154.682
Base-Backbone interact. energy: -0.001
local terms energy: -157.849163
where:
bonds (distance) C4'-P energy: -24.968
bonds (distance) P-C4' energy: -28.295
flat angles C4'-P-C4' energy: -29.734
flat angles P-C4'-P energy: -26.912
tors. eta vs tors. theta energy: -47.940
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: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -556.551618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.551618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.551618 (E_RNA)
where:
Base-Base interactions energy: -399.079
where: short stacking energy: -156.157
Base-Backbone interact. energy: -0.001
local terms energy: -157.472294
where:
bonds (distance) C4'-P energy: -27.970
bonds (distance) P-C4' energy: -26.692
flat angles C4'-P-C4' energy: -32.209
flat angles P-C4'-P energy: -23.618
tors. eta vs tors. theta energy: -46.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -542.969425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.969425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.969425 (E_RNA)
where:
Base-Base interactions energy: -399.895
where: short stacking energy: -161.747
Base-Backbone interact. energy: 0.170
local terms energy: -143.244784
where:
bonds (distance) C4'-P energy: -27.408
bonds (distance) P-C4' energy: -20.764
flat angles C4'-P-C4' energy: -27.504
flat angles P-C4'-P energy: -20.282
tors. eta vs tors. theta energy: -47.287
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: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -540.393406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.393406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.393406 (E_RNA)
where:
Base-Base interactions energy: -394.983
where: short stacking energy: -152.062
Base-Backbone interact. energy: -0.016
local terms energy: -145.394347
where:
bonds (distance) C4'-P energy: -26.556
bonds (distance) P-C4' energy: -22.932
flat angles C4'-P-C4' energy: -30.812
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: -45.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -524.528085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.528085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.528085 (E_RNA)
where:
Base-Base interactions energy: -380.254
where: short stacking energy: -146.020
Base-Backbone interact. energy: -0.015
local terms energy: -144.259427
where:
bonds (distance) C4'-P energy: -23.272
bonds (distance) P-C4' energy: -25.411
flat angles C4'-P-C4' energy: -32.409
flat angles P-C4'-P energy: -23.139
tors. eta vs tors. theta energy: -40.029
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: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -548.768720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.768720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.768720 (E_RNA)
where:
Base-Base interactions energy: -395.149
where: short stacking energy: -151.746
Base-Backbone interact. energy: -0.575
local terms energy: -153.044954
where:
bonds (distance) C4'-P energy: -27.015
bonds (distance) P-C4' energy: -24.200
flat angles C4'-P-C4' energy: -30.574
flat angles P-C4'-P energy: -24.744
tors. eta vs tors. theta energy: -46.511
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: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -521.868976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.868976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.868976 (E_RNA)
where:
Base-Base interactions energy: -383.472
where: short stacking energy: -148.146
Base-Backbone interact. energy: -1.348
local terms energy: -137.048954
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -23.871
flat angles C4'-P-C4' energy: -30.621
flat angles P-C4'-P energy: -21.371
tors. eta vs tors. theta energy: -46.735
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: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -513.796070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.796070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.796070 (E_RNA)
where:
Base-Base interactions energy: -368.480
where: short stacking energy: -142.047
Base-Backbone interact. energy: -0.708
local terms energy: -144.607975
where:
bonds (distance) C4'-P energy: -25.091
bonds (distance) P-C4' energy: -26.468
flat angles C4'-P-C4' energy: -29.060
flat angles P-C4'-P energy: -19.413
tors. eta vs tors. theta energy: -44.576
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: 9, replica: 5
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -502.374744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.374744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.374744 (E_RNA)
where:
Base-Base interactions energy: -366.601
where: short stacking energy: -143.451
Base-Backbone interact. energy: -0.112
local terms energy: -135.662242
where:
bonds (distance) C4'-P energy: -21.876
bonds (distance) P-C4' energy: -22.092
flat angles C4'-P-C4' energy: -27.011
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: -44.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -208.696101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.696101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.696101 (E_RNA)
where:
Base-Base interactions energy: -121.327
where: short stacking energy: -66.868
Base-Backbone interact. energy: -2.045
local terms energy: -85.324449
where:
bonds (distance) C4'-P energy: -28.483
bonds (distance) P-C4' energy: -23.839
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -7.508
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: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -561.564590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.564590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.564590 (E_RNA)
where:
Base-Base interactions energy: -403.776
where: short stacking energy: -156.663
Base-Backbone interact. energy: -1.526
local terms energy: -156.262532
where:
bonds (distance) C4'-P energy: -26.098
bonds (distance) P-C4' energy: -25.352
flat angles C4'-P-C4' energy: -31.429
flat angles P-C4'-P energy: -25.064
tors. eta vs tors. theta energy: -48.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -554.120707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.120707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.120707 (E_RNA)
where:
Base-Base interactions energy: -395.946
where: short stacking energy: -153.691
Base-Backbone interact. energy: -0.943
local terms energy: -157.231884
where:
bonds (distance) C4'-P energy: -28.126
bonds (distance) P-C4' energy: -26.488
flat angles C4'-P-C4' energy: -32.436
flat angles P-C4'-P energy: -23.703
tors. eta vs tors. theta energy: -46.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -557.266759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.266759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.266759 (E_RNA)
where:
Base-Base interactions energy: -400.913
where: short stacking energy: -150.310
Base-Backbone interact. energy: -1.677
local terms energy: -154.677427
where:
bonds (distance) C4'-P energy: -30.308
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -28.794
flat angles P-C4'-P energy: -24.485
tors. eta vs tors. theta energy: -46.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -540.854152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.854152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.854152 (E_RNA)
where:
Base-Base interactions energy: -390.951
where: short stacking energy: -148.524
Base-Backbone interact. energy: -1.543
local terms energy: -148.360091
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -23.835
flat angles C4'-P-C4' energy: -30.705
flat angles P-C4'-P energy: -25.087
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: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -534.877761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.877761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.877761 (E_RNA)
where:
Base-Base interactions energy: -383.979
where: short stacking energy: -138.670
Base-Backbone interact. energy: -1.595
local terms energy: -149.303872
where:
bonds (distance) C4'-P energy: -25.336
bonds (distance) P-C4' energy: -29.505
flat angles C4'-P-C4' energy: -28.561
flat angles P-C4'-P energy: -20.077
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: 6, replica: 3
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -522.530876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.530876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.530876 (E_RNA)
where:
Base-Base interactions energy: -384.938
where: short stacking energy: -154.484
Base-Backbone interact. energy: -0.002
local terms energy: -137.591044
where:
bonds (distance) C4'-P energy: -18.479
bonds (distance) P-C4' energy: -27.661
flat angles C4'-P-C4' energy: -29.800
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -44.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -524.704888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.704888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.704888 (E_RNA)
where:
Base-Base interactions energy: -371.386
where: short stacking energy: -140.439
Base-Backbone interact. energy: -0.454
local terms energy: -152.864736
where:
bonds (distance) C4'-P energy: -24.126
bonds (distance) P-C4' energy: -29.166
flat angles C4'-P-C4' energy: -30.355
flat angles P-C4'-P energy: -24.806
tors. eta vs tors. theta energy: -44.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -524.428282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.428282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.428282 (E_RNA)
where:
Base-Base interactions energy: -381.070
where: short stacking energy: -143.608
Base-Backbone interact. energy: 0.656
local terms energy: -144.014266
where:
bonds (distance) C4'-P energy: -28.430
bonds (distance) P-C4' energy: -27.673
flat angles C4'-P-C4' energy: -25.383
flat angles P-C4'-P energy: -15.506
tors. eta vs tors. theta energy: -47.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -504.805235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.805235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.805235 (E_RNA)
where:
Base-Base interactions energy: -363.428
where: short stacking energy: -137.824
Base-Backbone interact. energy: -0.082
local terms energy: -141.295150
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -28.421
flat angles C4'-P-C4' energy: -26.010
flat angles P-C4'-P energy: -19.770
tors. eta vs tors. theta energy: -44.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -257.559623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.559623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.559623 (E_RNA)
where:
Base-Base interactions energy: -161.456
where: short stacking energy: -71.214
Base-Backbone interact. energy: -0.643
local terms energy: -95.461220
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -23.109
flat angles C4'-P-C4' energy: -23.033
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -13.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -562.592737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.592737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.592737 (E_RNA)
where:
Base-Base interactions energy: -407.839
where: short stacking energy: -161.420
Base-Backbone interact. energy: -0.714
local terms energy: -154.039733
where:
bonds (distance) C4'-P energy: -23.586
bonds (distance) P-C4' energy: -30.953
flat angles C4'-P-C4' energy: -30.975
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -48.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -563.171660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.171660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.171660 (E_RNA)
where:
Base-Base interactions energy: -399.913
where: short stacking energy: -157.825
Base-Backbone interact. energy: -1.190
local terms energy: -162.069062
where:
bonds (distance) C4'-P energy: -28.184
bonds (distance) P-C4' energy: -27.907
flat angles C4'-P-C4' energy: -35.042
flat angles P-C4'-P energy: -25.340
tors. eta vs tors. theta energy: -45.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -553.369322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.369322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.369322 (E_RNA)
where:
Base-Base interactions energy: -407.277
where: short stacking energy: -158.948
Base-Backbone interact. energy: -0.029
local terms energy: -146.063293
where:
bonds (distance) C4'-P energy: -21.762
bonds (distance) P-C4' energy: -25.212
flat angles C4'-P-C4' energy: -30.245
flat angles P-C4'-P energy: -19.843
tors. eta vs tors. theta energy: -49.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -542.135293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.135293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.135293 (E_RNA)
where:
Base-Base interactions energy: -401.627
where: short stacking energy: -156.652
Base-Backbone interact. energy: 0.453
local terms energy: -140.961361
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -24.521
flat angles P-C4'-P energy: -25.666
tors. eta vs tors. theta energy: -46.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -528.056545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.056545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.056545 (E_RNA)
where:
Base-Base interactions energy: -382.333
where: short stacking energy: -149.501
Base-Backbone interact. energy: -0.326
local terms energy: -145.396894
where:
bonds (distance) C4'-P energy: -23.344
bonds (distance) P-C4' energy: -24.706
flat angles C4'-P-C4' energy: -29.395
flat angles P-C4'-P energy: -24.196
tors. eta vs tors. theta energy: -43.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -533.207729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.207729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.207729 (E_RNA)
where:
Base-Base interactions energy: -376.343
where: short stacking energy: -149.440
Base-Backbone interact. energy: -0.242
local terms energy: -156.622280
where:
bonds (distance) C4'-P energy: -29.057
bonds (distance) P-C4' energy: -29.768
flat angles C4'-P-C4' energy: -28.116
flat angles P-C4'-P energy: -23.942
tors. eta vs tors. theta energy: -45.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -535.143096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.143096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.143096 (E_RNA)
where:
Base-Base interactions energy: -389.183
where: short stacking energy: -153.250
Base-Backbone interact. energy: -0.194
local terms energy: -145.765617
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -29.437
flat angles P-C4'-P energy: -24.618
tors. eta vs tors. theta energy: -48.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -508.426473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.426473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.426473 (E_RNA)
where:
Base-Base interactions energy: -376.338
where: short stacking energy: -149.481
Base-Backbone interact. energy: -0.925
local terms energy: -131.163905
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -25.429
flat angles C4'-P-C4' energy: -28.429
flat angles P-C4'-P energy: -17.406
tors. eta vs tors. theta energy: -43.117
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: 9, replica: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -517.081572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.081572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.081572 (E_RNA)
where:
Base-Base interactions energy: -373.159
where: short stacking energy: -146.404
Base-Backbone interact. energy: -0.042
local terms energy: -143.880467
where:
bonds (distance) C4'-P energy: -20.345
bonds (distance) P-C4' energy: -26.919
flat angles C4'-P-C4' energy: -30.980
flat angles P-C4'-P energy: -21.813
tors. eta vs tors. theta energy: -43.822
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: 2
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -252.390706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.390706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.390706 (E_RNA)
where:
Base-Base interactions energy: -157.750
where: short stacking energy: -75.671
Base-Backbone interact. energy: -1.013
local terms energy: -93.627987
where:
bonds (distance) C4'-P energy: -23.293
bonds (distance) P-C4' energy: -28.501
flat angles C4'-P-C4' energy: -19.370
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -10.855
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: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -565.375882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.375882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.375882 (E_RNA)
where:
Base-Base interactions energy: -401.103
where: short stacking energy: -156.326
Base-Backbone interact. energy: -1.520
local terms energy: -162.752877
where:
bonds (distance) C4'-P energy: -30.034
bonds (distance) P-C4' energy: -30.776
flat angles C4'-P-C4' energy: -31.383
flat angles P-C4'-P energy: -24.778
tors. eta vs tors. theta energy: -45.782
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: 10
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -555.250501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.250501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.250501 (E_RNA)
where:
Base-Base interactions energy: -399.348
where: short stacking energy: -156.151
Base-Backbone interact. energy: -0.696
local terms energy: -155.207418
where:
bonds (distance) C4'-P energy: -27.180
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -31.274
flat angles P-C4'-P energy: -22.267
tors. eta vs tors. theta energy: -47.406
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: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -549.888632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.888632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.888632 (E_RNA)
where:
Base-Base interactions energy: -394.903
where: short stacking energy: -154.163
Base-Backbone interact. energy: -0.001
local terms energy: -154.985495
where:
bonds (distance) C4'-P energy: -28.439
bonds (distance) P-C4' energy: -24.765
flat angles C4'-P-C4' energy: -31.349
flat angles P-C4'-P energy: -21.447
tors. eta vs tors. theta energy: -48.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -544.357634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.357634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.357634 (E_RNA)
where:
Base-Base interactions energy: -401.641
where: short stacking energy: -158.440
Base-Backbone interact. energy: -0.741
local terms energy: -141.974985
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -24.250
flat angles C4'-P-C4' energy: -32.065
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: -47.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -536.512627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.512627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.512627 (E_RNA)
where:
Base-Base interactions energy: -384.603
where: short stacking energy: -152.425
Base-Backbone interact. energy: -0.850
local terms energy: -151.060296
where:
bonds (distance) C4'-P energy: -26.841
bonds (distance) P-C4' energy: -28.913
flat angles C4'-P-C4' energy: -31.236
flat angles P-C4'-P energy: -17.911
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: 6, replica: 5
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -525.361327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.361327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.361327 (E_RNA)
where:
Base-Base interactions energy: -384.125
where: short stacking energy: -149.885
Base-Backbone interact. energy: -0.478
local terms energy: -140.758447
where:
bonds (distance) C4'-P energy: -25.666
bonds (distance) P-C4' energy: -21.969
flat angles C4'-P-C4' energy: -30.813
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -45.912
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: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -523.971163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.971163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.971163 (E_RNA)
where:
Base-Base interactions energy: -380.734
where: short stacking energy: -146.317
Base-Backbone interact. energy: -0.471
local terms energy: -142.765744
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -25.280
flat angles C4'-P-C4' energy: -29.503
flat angles P-C4'-P energy: -24.386
tors. eta vs tors. theta energy: -42.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -506.790769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.790769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.790769 (E_RNA)
where:
Base-Base interactions energy: -361.357
where: short stacking energy: -138.191
Base-Backbone interact. energy: -0.024
local terms energy: -145.409878
where:
bonds (distance) C4'-P energy: -23.306
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -32.992
flat angles P-C4'-P energy: -24.262
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: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -510.227927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.227927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.227927 (E_RNA)
where:
Base-Base interactions energy: -370.824
where: short stacking energy: -138.086
Base-Backbone interact. energy: -0.144
local terms energy: -139.260401
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -31.363
flat angles P-C4'-P energy: -22.725
tors. eta vs tors. theta energy: -42.148
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: 2
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -199.635028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.635028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.635028 (E_RNA)
where:
Base-Base interactions energy: -115.131
where: short stacking energy: -61.524
Base-Backbone interact. energy: 0.510
local terms energy: -85.013645
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -20.779
flat angles C4'-P-C4' energy: -27.624
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -568.529711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.529711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.529711 (E_RNA)
where:
Base-Base interactions energy: -413.853
where: short stacking energy: -163.074
Base-Backbone interact. energy: 1.280
local terms energy: -155.956762
where:
bonds (distance) C4'-P energy: -25.989
bonds (distance) P-C4' energy: -31.565
flat angles C4'-P-C4' energy: -27.828
flat angles P-C4'-P energy: -24.763
tors. eta vs tors. theta energy: -45.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -558.159701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.159701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.159701 (E_RNA)
where:
Base-Base interactions energy: -403.257
where: short stacking energy: -157.575
Base-Backbone interact. energy: -0.002
local terms energy: -154.900999
where:
bonds (distance) C4'-P energy: -27.235
bonds (distance) P-C4' energy: -30.677
flat angles C4'-P-C4' energy: -26.887
flat angles P-C4'-P energy: -22.265
tors. eta vs tors. theta energy: -47.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -547.020097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.020097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.020097 (E_RNA)
where:
Base-Base interactions energy: -390.467
where: short stacking energy: -150.637
Base-Backbone interact. energy: -0.526
local terms energy: -156.026496
where:
bonds (distance) C4'-P energy: -28.866
bonds (distance) P-C4' energy: -27.437
flat angles C4'-P-C4' energy: -30.074
flat angles P-C4'-P energy: -25.037
tors. eta vs tors. theta energy: -44.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -544.949367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.949367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.949367 (E_RNA)
where:
Base-Base interactions energy: -392.559
where: short stacking energy: -156.066
Base-Backbone interact. energy: -2.121
local terms energy: -150.268921
where:
bonds (distance) C4'-P energy: -24.799
bonds (distance) P-C4' energy: -23.677
flat angles C4'-P-C4' energy: -29.590
flat angles P-C4'-P energy: -24.502
tors. eta vs tors. theta energy: -47.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -544.907623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.907623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.907623 (E_RNA)
where:
Base-Base interactions energy: -391.997
where: short stacking energy: -157.453
Base-Backbone interact. energy: -1.313
local terms energy: -151.597551
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -27.743
flat angles C4'-P-C4' energy: -30.838
flat angles P-C4'-P energy: -24.956
tors. eta vs tors. theta energy: -48.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -532.568962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.568962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.568962 (E_RNA)
where:
Base-Base interactions energy: -392.871
where: short stacking energy: -154.198
Base-Backbone interact. energy: -0.167
local terms energy: -139.531098
where:
bonds (distance) C4'-P energy: -20.849
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -30.753
flat angles P-C4'-P energy: -22.201
tors. eta vs tors. theta energy: -47.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -508.179516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.179516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.179516 (E_RNA)
where:
Base-Base interactions energy: -360.372
where: short stacking energy: -145.231
Base-Backbone interact. energy: -0.013
local terms energy: -147.794037
where:
bonds (distance) C4'-P energy: -26.135
bonds (distance) P-C4' energy: -27.701
flat angles C4'-P-C4' energy: -25.684
flat angles P-C4'-P energy: -22.978
tors. eta vs tors. theta energy: -45.296
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: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -519.926993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.926993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.926993 (E_RNA)
where:
Base-Base interactions energy: -377.932
where: short stacking energy: -144.665
Base-Backbone interact. energy: -0.608
local terms energy: -141.387715
where:
bonds (distance) C4'-P energy: -24.995
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -28.297
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -45.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -495.568464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.568464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.568464 (E_RNA)
where:
Base-Base interactions energy: -361.117
where: short stacking energy: -133.624
Base-Backbone interact. energy: -0.365
local terms energy: -134.086317
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -25.396
flat angles C4'-P-C4' energy: -26.845
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -41.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -224.387081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.387081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.387081 (E_RNA)
where:
Base-Base interactions energy: -141.319
where: short stacking energy: -70.346
Base-Backbone interact. energy: -0.302
local terms energy: -82.766051
where:
bonds (distance) C4'-P energy: -25.952
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -5.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -565.940582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.940582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.940582 (E_RNA)
where:
Base-Base interactions energy: -399.942
where: short stacking energy: -156.812
Base-Backbone interact. energy: -0.777
local terms energy: -165.221360
where:
bonds (distance) C4'-P energy: -30.604
bonds (distance) P-C4' energy: -29.820
flat angles C4'-P-C4' energy: -30.594
flat angles P-C4'-P energy: -25.577
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: 2, replica: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -558.114790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.114790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.114790 (E_RNA)
where:
Base-Base interactions energy: -403.312
where: short stacking energy: -158.735
Base-Backbone interact. energy: -0.416
local terms energy: -154.387291
where:
bonds (distance) C4'-P energy: -28.408
bonds (distance) P-C4' energy: -27.377
flat angles C4'-P-C4' energy: -31.802
flat angles P-C4'-P energy: -23.084
tors. eta vs tors. theta energy: -43.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -551.510810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.510810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.510810 (E_RNA)
where:
Base-Base interactions energy: -407.169
where: short stacking energy: -158.551
Base-Backbone interact. energy: -0.364
local terms energy: -143.977861
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -25.230
flat angles C4'-P-C4' energy: -33.934
flat angles P-C4'-P energy: -21.004
tors. eta vs tors. theta energy: -45.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -544.654576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.654576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.654576 (E_RNA)
where:
Base-Base interactions energy: -391.644
where: short stacking energy: -152.860
Base-Backbone interact. energy: -0.504
local terms energy: -152.506414
where:
bonds (distance) C4'-P energy: -30.843
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -30.389
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -46.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -543.185597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.185597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.185597 (E_RNA)
where:
Base-Base interactions energy: -403.466
where: short stacking energy: -161.354
Base-Backbone interact. energy: -0.316
local terms energy: -139.403949
where:
bonds (distance) C4'-P energy: -22.251
bonds (distance) P-C4' energy: -28.469
flat angles C4'-P-C4' energy: -27.923
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -43.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -536.947738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.947738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.947738 (E_RNA)
where:
Base-Base interactions energy: -392.241
where: short stacking energy: -156.332
Base-Backbone interact. energy: -0.389
local terms energy: -144.316862
where:
bonds (distance) C4'-P energy: -27.669
bonds (distance) P-C4' energy: -27.171
flat angles C4'-P-C4' energy: -25.515
flat angles P-C4'-P energy: -18.433
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: 7, replica: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -520.042936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.042936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.042936 (E_RNA)
where:
Base-Base interactions energy: -373.618
where: short stacking energy: -143.255
Base-Backbone interact. energy: -0.362
local terms energy: -146.063066
where:
bonds (distance) C4'-P energy: -25.175
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -31.031
flat angles P-C4'-P energy: -23.506
tors. eta vs tors. theta energy: -43.893
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: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -520.685158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.685158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.685158 (E_RNA)
where:
Base-Base interactions energy: -381.881
where: short stacking energy: -149.171
Base-Backbone interact. energy: -0.301
local terms energy: -138.503025
where:
bonds (distance) C4'-P energy: -23.664
bonds (distance) P-C4' energy: -19.814
flat angles C4'-P-C4' energy: -28.199
flat angles P-C4'-P energy: -22.046
tors. eta vs tors. theta energy: -44.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -522.794847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.794847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.794847 (E_RNA)
where:
Base-Base interactions energy: -373.313
where: short stacking energy: -145.964
Base-Backbone interact. energy: -0.087
local terms energy: -149.395204
where:
bonds (distance) C4'-P energy: -26.362
bonds (distance) P-C4' energy: -23.753
flat angles C4'-P-C4' energy: -29.864
flat angles P-C4'-P energy: -22.825
tors. eta vs tors. theta energy: -46.591
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: 2
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -216.882913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.882913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.882913 (E_RNA)
where:
Base-Base interactions energy: -123.666
where: short stacking energy: -70.766
Base-Backbone interact. energy: 1.274
local terms energy: -94.490871
where:
bonds (distance) C4'-P energy: -22.892
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -22.964
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -567.761144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.761144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.761144 (E_RNA)
where:
Base-Base interactions energy: -411.597
where: short stacking energy: -163.327
Base-Backbone interact. energy: -0.280
local terms energy: -155.884075
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -31.853
flat angles C4'-P-C4' energy: -32.389
flat angles P-C4'-P energy: -22.971
tors. eta vs tors. theta energy: -47.347
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: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -554.378551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.378551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.378551 (E_RNA)
where:
Base-Base interactions energy: -402.779
where: short stacking energy: -156.271
Base-Backbone interact. energy: -0.021
local terms energy: -151.578611
where:
bonds (distance) C4'-P energy: -27.909
bonds (distance) P-C4' energy: -26.375
flat angles C4'-P-C4' energy: -31.653
flat angles P-C4'-P energy: -19.110
tors. eta vs tors. theta energy: -46.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -546.861863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.861863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.861863 (E_RNA)
where:
Base-Base interactions energy: -394.515
where: short stacking energy: -153.531
Base-Backbone interact. energy: -0.911
local terms energy: -151.435946
where:
bonds (distance) C4'-P energy: -25.823
bonds (distance) P-C4' energy: -22.743
flat angles C4'-P-C4' energy: -31.591
flat angles P-C4'-P energy: -23.507
tors. eta vs tors. theta energy: -47.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -540.161713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.161713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.161713 (E_RNA)
where:
Base-Base interactions energy: -400.500
where: short stacking energy: -160.419
Base-Backbone interact. energy: -0.950
local terms energy: -138.712457
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -19.673
flat angles C4'-P-C4' energy: -29.825
flat angles P-C4'-P energy: -24.041
tors. eta vs tors. theta energy: -43.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -535.206492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.206492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.206492 (E_RNA)
where:
Base-Base interactions energy: -391.609
where: short stacking energy: -148.941
Base-Backbone interact. energy: -0.010
local terms energy: -143.587710
where:
bonds (distance) C4'-P energy: -28.299
bonds (distance) P-C4' energy: -28.515
flat angles C4'-P-C4' energy: -28.027
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -44.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -532.513975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.513975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.513975 (E_RNA)
where:
Base-Base interactions energy: -387.722
where: short stacking energy: -150.696
Base-Backbone interact. energy: -0.129
local terms energy: -144.662625
where:
bonds (distance) C4'-P energy: -22.500
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -31.309
flat angles P-C4'-P energy: -21.047
tors. eta vs tors. theta energy: -47.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -517.864253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.864253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.864253 (E_RNA)
where:
Base-Base interactions energy: -384.155
where: short stacking energy: -148.714
Base-Backbone interact. energy: -0.933
local terms energy: -132.776805
where:
bonds (distance) C4'-P energy: -21.918
bonds (distance) P-C4' energy: -20.485
flat angles C4'-P-C4' energy: -27.321
flat angles P-C4'-P energy: -16.953
tors. eta vs tors. theta energy: -46.100
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: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -515.384456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.384456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.384456 (E_RNA)
where:
Base-Base interactions energy: -374.617
where: short stacking energy: -142.392
Base-Backbone interact. energy: -1.481
local terms energy: -139.286255
where:
bonds (distance) C4'-P energy: -24.667
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -30.616
flat angles P-C4'-P energy: -20.309
tors. eta vs tors. theta energy: -41.816
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: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -506.401559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.401559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.401559 (E_RNA)
where:
Base-Base interactions energy: -366.768
where: short stacking energy: -143.782
Base-Backbone interact. energy: -0.130
local terms energy: -139.503032
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -21.804
flat angles C4'-P-C4' energy: -32.357
flat angles P-C4'-P energy: -19.291
tors. eta vs tors. theta energy: -44.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -211.010221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.010221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.010221 (E_RNA)
where:
Base-Base interactions energy: -123.415
where: short stacking energy: -61.856
Base-Backbone interact. energy: 0.176
local terms energy: -87.771887
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -26.799
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -4.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -560.576245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.576245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.576245 (E_RNA)
where:
Base-Base interactions energy: -403.561
where: short stacking energy: -158.527
Base-Backbone interact. energy: -0.596
local terms energy: -156.419079
where:
bonds (distance) C4'-P energy: -27.811
bonds (distance) P-C4' energy: -26.603
flat angles C4'-P-C4' energy: -31.354
flat angles P-C4'-P energy: -23.692
tors. eta vs tors. theta energy: -46.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -562.857829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.857829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.857829 (E_RNA)
where:
Base-Base interactions energy: -404.059
where: short stacking energy: -156.520
Base-Backbone interact. energy: -1.243
local terms energy: -157.555481
where:
bonds (distance) C4'-P energy: -24.023
bonds (distance) P-C4' energy: -28.773
flat angles C4'-P-C4' energy: -31.047
flat angles P-C4'-P energy: -24.469
tors. eta vs tors. theta energy: -49.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -546.756332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.756332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.756332 (E_RNA)
where:
Base-Base interactions energy: -390.365
where: short stacking energy: -155.708
Base-Backbone interact. energy: -0.101
local terms energy: -156.290715
where:
bonds (distance) C4'-P energy: -26.667
bonds (distance) P-C4' energy: -28.394
flat angles C4'-P-C4' energy: -31.232
flat angles P-C4'-P energy: -24.112
tors. eta vs tors. theta energy: -45.886
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: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -536.043746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.043746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.043746 (E_RNA)
where:
Base-Base interactions energy: -378.587
where: short stacking energy: -152.669
Base-Backbone interact. energy: -1.632
local terms energy: -155.824911
where:
bonds (distance) C4'-P energy: -30.358
bonds (distance) P-C4' energy: -27.727
flat angles C4'-P-C4' energy: -30.889
flat angles P-C4'-P energy: -20.354
tors. eta vs tors. theta energy: -46.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -528.124244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.124244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.124244 (E_RNA)
where:
Base-Base interactions energy: -384.423
where: short stacking energy: -150.640
Base-Backbone interact. energy: -0.877
local terms energy: -142.824102
where:
bonds (distance) C4'-P energy: -25.915
bonds (distance) P-C4' energy: -27.238
flat angles C4'-P-C4' energy: -27.244
flat angles P-C4'-P energy: -19.449
tors. eta vs tors. theta energy: -42.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -523.872875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.872875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.872875 (E_RNA)
where:
Base-Base interactions energy: -391.176
where: short stacking energy: -152.834
Base-Backbone interact. energy: -0.010
local terms energy: -132.687149
where:
bonds (distance) C4'-P energy: -22.386
bonds (distance) P-C4' energy: -21.389
flat angles C4'-P-C4' energy: -26.729
flat angles P-C4'-P energy: -18.980
tors. eta vs tors. theta energy: -43.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -534.323030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.323030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.323030 (E_RNA)
where:
Base-Base interactions energy: -380.901
where: short stacking energy: -148.642
Base-Backbone interact. energy: -0.239
local terms energy: -153.183279
where:
bonds (distance) C4'-P energy: -22.129
bonds (distance) P-C4' energy: -31.725
flat angles C4'-P-C4' energy: -30.507
flat angles P-C4'-P energy: -22.994
tors. eta vs tors. theta energy: -45.829
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: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -518.239381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.239381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.239381 (E_RNA)
where:
Base-Base interactions energy: -377.029
where: short stacking energy: -141.635
Base-Backbone interact. energy: -0.538
local terms energy: -140.672307
where:
bonds (distance) C4'-P energy: -24.755
bonds (distance) P-C4' energy: -28.009
flat angles C4'-P-C4' energy: -26.876
flat angles P-C4'-P energy: -19.510
tors. eta vs tors. theta energy: -41.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -502.972138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.972138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.972138 (E_RNA)
where:
Base-Base interactions energy: -356.408
where: short stacking energy: -139.341
Base-Backbone interact. energy: -0.117
local terms energy: -146.446434
where:
bonds (distance) C4'-P energy: -26.017
bonds (distance) P-C4' energy: -29.452
flat angles C4'-P-C4' energy: -30.059
flat angles P-C4'-P energy: -19.441
tors. eta vs tors. theta energy: -41.477
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: 103
Temperature: 1.350000
Total energy: -207.296658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.296658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.296658 (E_RNA)
where:
Base-Base interactions energy: -129.884
where: short stacking energy: -64.920
Base-Backbone interact. energy: -0.429
local terms energy: -76.984258
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -19.208
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -8.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -570.803974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.803974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.803974 (E_RNA)
where:
Base-Base interactions energy: -409.524
where: short stacking energy: -162.404
Base-Backbone interact. energy: -0.500
local terms energy: -160.780613
where:
bonds (distance) C4'-P energy: -23.558
bonds (distance) P-C4' energy: -32.369
flat angles C4'-P-C4' energy: -32.648
flat angles P-C4'-P energy: -23.477
tors. eta vs tors. theta energy: -48.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -551.051770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.051770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.051770 (E_RNA)
where:
Base-Base interactions energy: -395.130
where: short stacking energy: -153.629
Base-Backbone interact. energy: -0.536
local terms energy: -155.385198
where:
bonds (distance) C4'-P energy: -30.622
bonds (distance) P-C4' energy: -26.500
flat angles C4'-P-C4' energy: -30.484
flat angles P-C4'-P energy: -19.432
tors. eta vs tors. theta energy: -48.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -547.815311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.815311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.815311 (E_RNA)
where:
Base-Base interactions energy: -386.463
where: short stacking energy: -153.562
Base-Backbone interact. energy: -0.001
local terms energy: -161.350369
where:
bonds (distance) C4'-P energy: -26.569
bonds (distance) P-C4' energy: -27.997
flat angles C4'-P-C4' energy: -33.866
flat angles P-C4'-P energy: -25.289
tors. eta vs tors. theta energy: -47.630
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: 10
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -539.721542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.721542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.721542 (E_RNA)
where:
Base-Base interactions energy: -394.374
where: short stacking energy: -157.498
Base-Backbone interact. energy: -0.598
local terms energy: -144.749884
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -27.864
flat angles C4'-P-C4' energy: -26.745
flat angles P-C4'-P energy: -20.792
tors. eta vs tors. theta energy: -47.980
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: 5, replica: 8
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -542.203189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.203189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.203189 (E_RNA)
where:
Base-Base interactions energy: -388.341
where: short stacking energy: -150.373
Base-Backbone interact. energy: -0.374
local terms energy: -153.488332
where:
bonds (distance) C4'-P energy: -29.463
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -27.899
flat angles P-C4'-P energy: -26.602
tors. eta vs tors. theta energy: -44.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -532.924157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.924157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.924157 (E_RNA)
where:
Base-Base interactions energy: -379.684
where: short stacking energy: -146.483
Base-Backbone interact. energy: -0.046
local terms energy: -153.194722
where:
bonds (distance) C4'-P energy: -23.778
bonds (distance) P-C4' energy: -32.455
flat angles C4'-P-C4' energy: -27.584
flat angles P-C4'-P energy: -22.745
tors. eta vs tors. theta energy: -46.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -508.427679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.427679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.427679 (E_RNA)
where:
Base-Base interactions energy: -372.479
where: short stacking energy: -142.496
Base-Backbone interact. energy: 0.051
local terms energy: -136.000375
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -26.018
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -45.049
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: 8, replica: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -507.620961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.620961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.620961 (E_RNA)
where:
Base-Base interactions energy: -376.788
where: short stacking energy: -142.863
Base-Backbone interact. energy: -0.569
local terms energy: -130.264330
where:
bonds (distance) C4'-P energy: -26.797
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -30.500
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -43.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -522.004918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.004918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.004918 (E_RNA)
where:
Base-Base interactions energy: -381.345
where: short stacking energy: -144.459
Base-Backbone interact. energy: -0.207
local terms energy: -140.453500
where:
bonds (distance) C4'-P energy: -21.687
bonds (distance) P-C4' energy: -20.275
flat angles C4'-P-C4' energy: -31.148
flat angles P-C4'-P energy: -21.268
tors. eta vs tors. theta energy: -46.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -213.667465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.667465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.667465 (E_RNA)
where:
Base-Base interactions energy: -126.643
where: short stacking energy: -71.789
Base-Backbone interact. energy: -0.534
local terms energy: -86.490005
where:
bonds (distance) C4'-P energy: -23.599
bonds (distance) P-C4' energy: -29.693
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -559.535481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.535481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.535481 (E_RNA)
where:
Base-Base interactions energy: -409.186
where: short stacking energy: -158.203
Base-Backbone interact. energy: -1.308
local terms energy: -149.041444
where:
bonds (distance) C4'-P energy: -27.354
bonds (distance) P-C4' energy: -26.804
flat angles C4'-P-C4' energy: -28.558
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: -47.717
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: 6
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -551.061574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.061574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.061574 (E_RNA)
where:
Base-Base interactions energy: -401.365
where: short stacking energy: -155.417
Base-Backbone interact. energy: -0.214
local terms energy: -149.482568
where:
bonds (distance) C4'-P energy: -25.059
bonds (distance) P-C4' energy: -29.208
flat angles C4'-P-C4' energy: -29.159
flat angles P-C4'-P energy: -21.916
tors. eta vs tors. theta energy: -44.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -552.982456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.982456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.982456 (E_RNA)
where:
Base-Base interactions energy: -409.474
where: short stacking energy: -163.735
Base-Backbone interact. energy: -0.201
local terms energy: -143.307678
where:
bonds (distance) C4'-P energy: -23.865
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -32.556
flat angles P-C4'-P energy: -23.644
tors. eta vs tors. theta energy: -45.726
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: 10
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -543.654083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.654083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.654083 (E_RNA)
where:
Base-Base interactions energy: -392.054
where: short stacking energy: -151.525
Base-Backbone interact. energy: -0.916
local terms energy: -150.683578
where:
bonds (distance) C4'-P energy: -24.386
bonds (distance) P-C4' energy: -24.541
flat angles C4'-P-C4' energy: -27.685
flat angles P-C4'-P energy: -28.161
tors. eta vs tors. theta energy: -45.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -528.369003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.369003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.369003 (E_RNA)
where:
Base-Base interactions energy: -386.454
where: short stacking energy: -146.829
Base-Backbone interact. energy: -0.007
local terms energy: -141.907788
where:
bonds (distance) C4'-P energy: -25.607
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -26.468
flat angles P-C4'-P energy: -23.642
tors. eta vs tors. theta energy: -44.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -527.225351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.225351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.225351 (E_RNA)
where:
Base-Base interactions energy: -383.369
where: short stacking energy: -144.950
Base-Backbone interact. energy: -0.003
local terms energy: -143.853794
where:
bonds (distance) C4'-P energy: -19.678
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -31.102
flat angles P-C4'-P energy: -25.665
tors. eta vs tors. theta energy: -45.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -513.297533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.297533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.297533 (E_RNA)
where:
Base-Base interactions energy: -370.475
where: short stacking energy: -139.612
Base-Backbone interact. energy: -0.375
local terms energy: -142.447251
where:
bonds (distance) C4'-P energy: -23.652
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -25.114
flat angles P-C4'-P energy: -24.308
tors. eta vs tors. theta energy: -44.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -519.762214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.762214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.762214 (E_RNA)
where:
Base-Base interactions energy: -375.258
where: short stacking energy: -142.758
Base-Backbone interact. energy: -0.001
local terms energy: -144.503587
where:
bonds (distance) C4'-P energy: -26.711
bonds (distance) P-C4' energy: -25.621
flat angles C4'-P-C4' energy: -28.303
flat angles P-C4'-P energy: -18.603
tors. eta vs tors. theta energy: -45.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -498.087589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.087589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.087589 (E_RNA)
where:
Base-Base interactions energy: -365.711
where: short stacking energy: -142.142
Base-Backbone interact. energy: -0.220
local terms energy: -132.157054
where:
bonds (distance) C4'-P energy: -21.844
bonds (distance) P-C4' energy: -23.199
flat angles C4'-P-C4' energy: -29.136
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -40.341
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: 105
Temperature: 1.350000
Total energy: -212.433887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.433887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.433887 (E_RNA)
where:
Base-Base interactions energy: -135.723
where: short stacking energy: -70.049
Base-Backbone interact. energy: -0.482
local terms energy: -76.228897
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -21.710
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -6.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -562.637810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.637810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.637810 (E_RNA)
where:
Base-Base interactions energy: -404.371
where: short stacking energy: -157.504
Base-Backbone interact. energy: -1.012
local terms energy: -157.255202
where:
bonds (distance) C4'-P energy: -31.255
bonds (distance) P-C4' energy: -27.451
flat angles C4'-P-C4' energy: -29.218
flat angles P-C4'-P energy: -23.254
tors. eta vs tors. theta energy: -46.077
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: 5
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -554.762723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.762723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.762723 (E_RNA)
where:
Base-Base interactions energy: -397.428
where: short stacking energy: -155.382
Base-Backbone interact. energy: -1.718
local terms energy: -155.616511
where:
bonds (distance) C4'-P energy: -23.149
bonds (distance) P-C4' energy: -27.284
flat angles C4'-P-C4' energy: -31.931
flat angles P-C4'-P energy: -25.310
tors. eta vs tors. theta energy: -47.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -549.332684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.332684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.332684 (E_RNA)
where:
Base-Base interactions energy: -397.502
where: short stacking energy: -153.195
Base-Backbone interact. energy: -0.004
local terms energy: -151.825747
where:
bonds (distance) C4'-P energy: -29.851
bonds (distance) P-C4' energy: -23.991
flat angles C4'-P-C4' energy: -27.764
flat angles P-C4'-P energy: -23.536
tors. eta vs tors. theta energy: -46.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -539.367235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.367235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.367235 (E_RNA)
where:
Base-Base interactions energy: -395.991
where: short stacking energy: -159.207
Base-Backbone interact. energy: -0.270
local terms energy: -143.105892
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -22.254
flat angles C4'-P-C4' energy: -28.543
flat angles P-C4'-P energy: -20.498
tors. eta vs tors. theta energy: -46.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -529.363778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.363778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.363778 (E_RNA)
where:
Base-Base interactions energy: -389.738
where: short stacking energy: -151.463
Base-Backbone interact. energy: -0.578
local terms energy: -139.047347
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -23.254
flat angles C4'-P-C4' energy: -29.668
flat angles P-C4'-P energy: -19.284
tors. eta vs tors. theta energy: -46.042
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: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -532.499357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.499357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.499357 (E_RNA)
where:
Base-Base interactions energy: -378.448
where: short stacking energy: -152.138
Base-Backbone interact. energy: -0.773
local terms energy: -153.278146
where:
bonds (distance) C4'-P energy: -29.923
bonds (distance) P-C4' energy: -23.221
flat angles C4'-P-C4' energy: -29.268
flat angles P-C4'-P energy: -23.491
tors. eta vs tors. theta energy: -47.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -522.047656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.047656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.047656 (E_RNA)
where:
Base-Base interactions energy: -383.023
where: short stacking energy: -153.410
Base-Backbone interact. energy: -0.157
local terms energy: -138.868309
where:
bonds (distance) C4'-P energy: -22.284
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -29.187
flat angles P-C4'-P energy: -22.598
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: 8, replica: 9
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -520.732171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.732171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.732171 (E_RNA)
where:
Base-Base interactions energy: -388.543
where: short stacking energy: -153.516
Base-Backbone interact. energy: -0.007
local terms energy: -132.182006
where:
bonds (distance) C4'-P energy: -24.013
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -24.086
tors. eta vs tors. theta energy: -44.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -502.973255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.973255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.973255 (E_RNA)
where:
Base-Base interactions energy: -365.668
where: short stacking energy: -137.624
Base-Backbone interact. energy: -0.091
local terms energy: -137.214403
where:
bonds (distance) C4'-P energy: -19.364
bonds (distance) P-C4' energy: -24.938
flat angles C4'-P-C4' energy: -28.381
flat angles P-C4'-P energy: -18.612
tors. eta vs tors. theta energy: -45.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -233.857245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.857245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.857245 (E_RNA)
where:
Base-Base interactions energy: -152.398
where: short stacking energy: -63.845
Base-Backbone interact. energy: 0.665
local terms energy: -82.124150
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -24.532
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -6.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -567.005584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.005584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.005584 (E_RNA)
where:
Base-Base interactions energy: -411.698
where: short stacking energy: -160.697
Base-Backbone interact. energy: -0.086
local terms energy: -155.221793
where:
bonds (distance) C4'-P energy: -23.647
bonds (distance) P-C4' energy: -28.275
flat angles C4'-P-C4' energy: -30.866
flat angles P-C4'-P energy: -24.145
tors. eta vs tors. theta energy: -48.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -558.829085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.829085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.829085 (E_RNA)
where:
Base-Base interactions energy: -400.152
where: short stacking energy: -156.705
Base-Backbone interact. energy: -1.967
local terms energy: -156.709714
where:
bonds (distance) C4'-P energy: -25.053
bonds (distance) P-C4' energy: -29.704
flat angles C4'-P-C4' energy: -30.507
flat angles P-C4'-P energy: -22.826
tors. eta vs tors. theta energy: -48.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -546.385622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.385622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.385622 (E_RNA)
where:
Base-Base interactions energy: -400.759
where: short stacking energy: -153.954
Base-Backbone interact. energy: -0.340
local terms energy: -145.285995
where:
bonds (distance) C4'-P energy: -21.096
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -35.655
flat angles P-C4'-P energy: -20.194
tors. eta vs tors. theta energy: -45.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -551.004455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.004455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.004455 (E_RNA)
where:
Base-Base interactions energy: -400.301
where: short stacking energy: -152.108
Base-Backbone interact. energy: -0.165
local terms energy: -150.538057
where:
bonds (distance) C4'-P energy: -22.399
bonds (distance) P-C4' energy: -26.230
flat angles C4'-P-C4' energy: -32.697
flat angles P-C4'-P energy: -24.150
tors. eta vs tors. theta energy: -45.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -532.915313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.915313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.915313 (E_RNA)
where:
Base-Base interactions energy: -388.220
where: short stacking energy: -148.248
Base-Backbone interact. energy: -0.018
local terms energy: -144.677419
where:
bonds (distance) C4'-P energy: -26.437
bonds (distance) P-C4' energy: -24.199
flat angles C4'-P-C4' energy: -26.412
flat angles P-C4'-P energy: -19.456
tors. eta vs tors. theta energy: -48.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -531.772902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.772902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.772902 (E_RNA)
where:
Base-Base interactions energy: -385.510
where: short stacking energy: -147.228
Base-Backbone interact. energy: -0.322
local terms energy: -145.940059
where:
bonds (distance) C4'-P energy: -27.293
bonds (distance) P-C4' energy: -27.161
flat angles C4'-P-C4' energy: -31.598
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -44.188
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: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -522.887113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.887113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.887113 (E_RNA)
where:
Base-Base interactions energy: -389.845
where: short stacking energy: -149.908
Base-Backbone interact. energy: 0.355
local terms energy: -133.396421
where:
bonds (distance) C4'-P energy: -20.883
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -25.898
flat angles P-C4'-P energy: -20.260
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: 8, replica: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -517.941233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.941233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.941233 (E_RNA)
where:
Base-Base interactions energy: -384.819
where: short stacking energy: -155.151
Base-Backbone interact. energy: -1.359
local terms energy: -131.763194
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -25.364
flat angles C4'-P-C4' energy: -28.269
flat angles P-C4'-P energy: -19.801
tors. eta vs tors. theta energy: -42.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -503.876939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.876939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.876939 (E_RNA)
where:
Base-Base interactions energy: -363.912
where: short stacking energy: -138.062
Base-Backbone interact. energy: -0.765
local terms energy: -139.200131
where:
bonds (distance) C4'-P energy: -24.264
bonds (distance) P-C4' energy: -25.481
flat angles C4'-P-C4' energy: -32.101
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -42.791
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: 2
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -215.338081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.338081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.338081 (E_RNA)
where:
Base-Base interactions energy: -121.799
where: short stacking energy: -62.770
Base-Backbone interact. energy: -0.267
local terms energy: -93.271670
where:
bonds (distance) C4'-P energy: -22.483
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -28.808
flat angles P-C4'-P energy: -14.032
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: 1, replica: 6
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -555.629912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.629912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.629912 (E_RNA)
where:
Base-Base interactions energy: -397.691
where: short stacking energy: -156.131
Base-Backbone interact. energy: -1.454
local terms energy: -156.484841
where:
bonds (distance) C4'-P energy: -29.214
bonds (distance) P-C4' energy: -28.544
flat angles C4'-P-C4' energy: -26.872
flat angles P-C4'-P energy: -25.445
tors. eta vs tors. theta energy: -46.411
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: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -559.678928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.678928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.678928 (E_RNA)
where:
Base-Base interactions energy: -404.843
where: short stacking energy: -161.662
Base-Backbone interact. energy: -0.674
local terms energy: -154.162117
where:
bonds (distance) C4'-P energy: -24.026
bonds (distance) P-C4' energy: -31.299
flat angles C4'-P-C4' energy: -29.014
flat angles P-C4'-P energy: -20.875
tors. eta vs tors. theta energy: -48.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -554.372015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.372015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.372015 (E_RNA)
where:
Base-Base interactions energy: -405.955
where: short stacking energy: -156.151
Base-Backbone interact. energy: -1.235
local terms energy: -147.182910
where:
bonds (distance) C4'-P energy: -25.696
bonds (distance) P-C4' energy: -26.066
flat angles C4'-P-C4' energy: -26.551
flat angles P-C4'-P energy: -21.306
tors. eta vs tors. theta energy: -47.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -552.979347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.979347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.979347 (E_RNA)
where:
Base-Base interactions energy: -398.081
where: short stacking energy: -162.788
Base-Backbone interact. energy: -0.012
local terms energy: -154.885609
where:
bonds (distance) C4'-P energy: -26.022
bonds (distance) P-C4' energy: -30.363
flat angles C4'-P-C4' energy: -28.727
flat angles P-C4'-P energy: -22.886
tors. eta vs tors. theta energy: -46.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -528.124071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.124071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.124071 (E_RNA)
where:
Base-Base interactions energy: -382.580
where: short stacking energy: -142.674
Base-Backbone interact. energy: -0.262
local terms energy: -145.282735
where:
bonds (distance) C4'-P energy: -23.488
bonds (distance) P-C4' energy: -28.329
flat angles C4'-P-C4' energy: -32.206
flat angles P-C4'-P energy: -19.153
tors. eta vs tors. theta energy: -42.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -529.061039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.061039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.061039 (E_RNA)
where:
Base-Base interactions energy: -389.610
where: short stacking energy: -152.324
Base-Backbone interact. energy: -0.001
local terms energy: -139.450402
where:
bonds (distance) C4'-P energy: -26.064
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -26.708
flat angles P-C4'-P energy: -20.081
tors. eta vs tors. theta energy: -45.478
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: 4
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -514.647493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.647493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.647493 (E_RNA)
where:
Base-Base interactions energy: -372.136
where: short stacking energy: -138.977
Base-Backbone interact. energy: -2.080
local terms energy: -140.432090
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -29.733
flat angles C4'-P-C4' energy: -26.819
flat angles P-C4'-P energy: -19.857
tors. eta vs tors. theta energy: -44.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -492.359750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.359750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.359750 (E_RNA)
where:
Base-Base interactions energy: -358.032
where: short stacking energy: -141.386
Base-Backbone interact. energy: -0.294
local terms energy: -134.034601
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -21.090
flat angles C4'-P-C4' energy: -31.980
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -44.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -504.051361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.051361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.051361 (E_RNA)
where:
Base-Base interactions energy: -375.213
where: short stacking energy: -141.449
Base-Backbone interact. energy: -0.006
local terms energy: -128.832547
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -30.590
flat angles P-C4'-P energy: -16.121
tors. eta vs tors. theta energy: -42.858
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: 108
Temperature: 1.350000
Total energy: -251.888650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.888650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.888650 (E_RNA)
where:
Base-Base interactions energy: -160.576
where: short stacking energy: -74.067
Base-Backbone interact. energy: -0.443
local terms energy: -90.869596
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -26.350
flat angles C4'-P-C4' energy: -23.730
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -563.200036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.200036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.200036 (E_RNA)
where:
Base-Base interactions energy: -409.485
where: short stacking energy: -162.706
Base-Backbone interact. energy: -0.774
local terms energy: -152.941477
where:
bonds (distance) C4'-P energy: -24.616
bonds (distance) P-C4' energy: -27.818
flat angles C4'-P-C4' energy: -30.526
flat angles P-C4'-P energy: -22.575
tors. eta vs tors. theta energy: -47.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -555.006383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.006383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.006383 (E_RNA)
where:
Base-Base interactions energy: -397.751
where: short stacking energy: -154.689
Base-Backbone interact. energy: -0.343
local terms energy: -156.912700
where:
bonds (distance) C4'-P energy: -25.877
bonds (distance) P-C4' energy: -31.235
flat angles C4'-P-C4' energy: -29.064
flat angles P-C4'-P energy: -24.126
tors. eta vs tors. theta energy: -46.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -547.831440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.831440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.831440 (E_RNA)
where:
Base-Base interactions energy: -395.256
where: short stacking energy: -159.944
Base-Backbone interact. energy: -0.476
local terms energy: -152.099306
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -22.972
flat angles C4'-P-C4' energy: -32.017
flat angles P-C4'-P energy: -25.409
tors. eta vs tors. theta energy: -48.920
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: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -537.413567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.413567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.413567 (E_RNA)
where:
Base-Base interactions energy: -391.068
where: short stacking energy: -149.837
Base-Backbone interact. energy: 0.947
local terms energy: -147.292751
where:
bonds (distance) C4'-P energy: -28.751
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -31.016
flat angles P-C4'-P energy: -20.641
tors. eta vs tors. theta energy: -44.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -530.250221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.250221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.250221 (E_RNA)
where:
Base-Base interactions energy: -383.498
where: short stacking energy: -151.651
Base-Backbone interact. energy: -0.207
local terms energy: -146.545487
where:
bonds (distance) C4'-P energy: -23.928
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -32.142
flat angles P-C4'-P energy: -22.620
tors. eta vs tors. theta energy: -45.701
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: 6, replica: 4
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -525.006114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.006114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.006114 (E_RNA)
where:
Base-Base interactions energy: -382.478
where: short stacking energy: -149.783
Base-Backbone interact. energy: -0.724
local terms energy: -141.804051
where:
bonds (distance) C4'-P energy: -22.950
bonds (distance) P-C4' energy: -21.659
flat angles C4'-P-C4' energy: -30.402
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: -46.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -523.993891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.993891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.993891 (E_RNA)
where:
Base-Base interactions energy: -386.837
where: short stacking energy: -150.969
Base-Backbone interact. energy: -0.003
local terms energy: -137.153894
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -25.036
flat angles C4'-P-C4' energy: -29.717
flat angles P-C4'-P energy: -20.187
tors. eta vs tors. theta energy: -43.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -509.224641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.224641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.224641 (E_RNA)
where:
Base-Base interactions energy: -382.160
where: short stacking energy: -149.417
Base-Backbone interact. energy: -0.414
local terms energy: -126.650359
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -27.413
flat angles P-C4'-P energy: -19.065
tors. eta vs tors. theta energy: -44.493
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: 3
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -495.021777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.021777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.021777 (E_RNA)
where:
Base-Base interactions energy: -363.473
where: short stacking energy: -147.419
Base-Backbone interact. energy: -0.737
local terms energy: -130.811383
where:
bonds (distance) C4'-P energy: -22.378
bonds (distance) P-C4' energy: -27.786
flat angles C4'-P-C4' energy: -27.843
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -41.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -263.413539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.413539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.413539 (E_RNA)
where:
Base-Base interactions energy: -167.852
where: short stacking energy: -80.939
Base-Backbone interact. energy: 2.203
local terms energy: -97.765395
where:
bonds (distance) C4'-P energy: -24.464
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -27.916
flat angles P-C4'-P energy: -10.030
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: 1, replica: 6
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -561.834081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.834081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.834081 (E_RNA)
where:
Base-Base interactions energy: -406.647
where: short stacking energy: -157.570
Base-Backbone interact. energy: -0.108
local terms energy: -155.079455
where:
bonds (distance) C4'-P energy: -23.907
bonds (distance) P-C4' energy: -29.210
flat angles C4'-P-C4' energy: -29.808
flat angles P-C4'-P energy: -24.850
tors. eta vs tors. theta energy: -47.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -560.293697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.293697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.293697 (E_RNA)
where:
Base-Base interactions energy: -405.089
where: short stacking energy: -158.841
Base-Backbone interact. energy: -0.914
local terms energy: -154.290097
where:
bonds (distance) C4'-P energy: -28.511
bonds (distance) P-C4' energy: -24.494
flat angles C4'-P-C4' energy: -29.850
flat angles P-C4'-P energy: -24.894
tors. eta vs tors. theta energy: -46.541
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: 5
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -549.081510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.081510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.081510 (E_RNA)
where:
Base-Base interactions energy: -396.585
where: short stacking energy: -154.793
Base-Backbone interact. energy: -0.052
local terms energy: -152.444574
where:
bonds (distance) C4'-P energy: -27.190
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -30.829
flat angles P-C4'-P energy: -25.579
tors. eta vs tors. theta energy: -45.965
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: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -542.998595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.998595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.998595 (E_RNA)
where:
Base-Base interactions energy: -395.019
where: short stacking energy: -154.361
Base-Backbone interact. energy: -0.410
local terms energy: -147.569865
where:
bonds (distance) C4'-P energy: -26.022
bonds (distance) P-C4' energy: -24.085
flat angles C4'-P-C4' energy: -29.797
flat angles P-C4'-P energy: -21.705
tors. eta vs tors. theta energy: -45.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -538.229366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.229366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.229366 (E_RNA)
where:
Base-Base interactions energy: -390.708
where: short stacking energy: -153.457
Base-Backbone interact. energy: -0.010
local terms energy: -147.511663
where:
bonds (distance) C4'-P energy: -21.383
bonds (distance) P-C4' energy: -28.159
flat angles C4'-P-C4' energy: -29.905
flat angles P-C4'-P energy: -20.336
tors. eta vs tors. theta energy: -47.729
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: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -530.078931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.078931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.078931 (E_RNA)
where:
Base-Base interactions energy: -385.653
where: short stacking energy: -146.536
Base-Backbone interact. energy: -1.091
local terms energy: -143.335373
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -29.386
flat angles C4'-P-C4' energy: -29.172
flat angles P-C4'-P energy: -18.922
tors. eta vs tors. theta energy: -47.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -521.064998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.064998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.064998 (E_RNA)
where:
Base-Base interactions energy: -387.156
where: short stacking energy: -151.162
Base-Backbone interact. energy: -1.409
local terms energy: -132.499707
where:
bonds (distance) C4'-P energy: -20.660
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -31.500
flat angles P-C4'-P energy: -18.430
tors. eta vs tors. theta energy: -46.735
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: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -502.199364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.199364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.199364 (E_RNA)
where:
Base-Base interactions energy: -378.828
where: short stacking energy: -140.613
Base-Backbone interact. energy: -0.531
local terms energy: -122.840188
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -26.174
flat angles P-C4'-P energy: -18.543
tors. eta vs tors. theta energy: -42.231
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: 3
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -498.224073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.224073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.224073 (E_RNA)
where:
Base-Base interactions energy: -369.631
where: short stacking energy: -145.370
Base-Backbone interact. energy: -0.538
local terms energy: -128.054592
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -26.924
flat angles C4'-P-C4' energy: -27.316
flat angles P-C4'-P energy: -16.064
tors. eta vs tors. theta energy: -44.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -299.286752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.286752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.286752 (E_RNA)
where:
Base-Base interactions energy: -204.377
where: short stacking energy: -89.344
Base-Backbone interact. energy: -0.434
local terms energy: -94.476390
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -25.947
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -20.834
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: 6
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -559.251489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.251489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.251489 (E_RNA)
where:
Base-Base interactions energy: -401.373
where: short stacking energy: -158.036
Base-Backbone interact. energy: -0.002
local terms energy: -157.876878
where:
bonds (distance) C4'-P energy: -29.570
bonds (distance) P-C4' energy: -26.896
flat angles C4'-P-C4' energy: -33.133
flat angles P-C4'-P energy: -22.122
tors. eta vs tors. theta energy: -46.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -568.719033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.719033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.719033 (E_RNA)
where:
Base-Base interactions energy: -412.042
where: short stacking energy: -159.333
Base-Backbone interact. energy: -0.686
local terms energy: -155.990682
where:
bonds (distance) C4'-P energy: -28.294
bonds (distance) P-C4' energy: -28.519
flat angles C4'-P-C4' energy: -29.366
flat angles P-C4'-P energy: -22.148
tors. eta vs tors. theta energy: -47.664
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: 3, replica: 5
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -541.042588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.042588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.042588 (E_RNA)
where:
Base-Base interactions energy: -395.460
where: short stacking energy: -154.493
Base-Backbone interact. energy: -0.853
local terms energy: -144.729425
where:
bonds (distance) C4'-P energy: -22.374
bonds (distance) P-C4' energy: -25.208
flat angles C4'-P-C4' energy: -30.340
flat angles P-C4'-P energy: -20.637
tors. eta vs tors. theta energy: -46.171
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: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -540.708050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.708050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.708050 (E_RNA)
where:
Base-Base interactions energy: -394.916
where: short stacking energy: -158.088
Base-Backbone interact. energy: -0.041
local terms energy: -145.750607
where:
bonds (distance) C4'-P energy: -23.379
bonds (distance) P-C4' energy: -25.481
flat angles C4'-P-C4' energy: -31.910
flat angles P-C4'-P energy: -20.866
tors. eta vs tors. theta energy: -44.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -537.542057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.542057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.542057 (E_RNA)
where:
Base-Base interactions energy: -387.566
where: short stacking energy: -153.399
Base-Backbone interact. energy: -0.041
local terms energy: -149.934757
where:
bonds (distance) C4'-P energy: -22.880
bonds (distance) P-C4' energy: -26.753
flat angles C4'-P-C4' energy: -31.522
flat angles P-C4'-P energy: -22.016
tors. eta vs tors. theta energy: -46.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -530.877992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.877992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.877992 (E_RNA)
where:
Base-Base interactions energy: -390.630
where: short stacking energy: -153.009
Base-Backbone interact. energy: -1.273
local terms energy: -138.974903
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -22.561
flat angles P-C4'-P energy: -24.093
tors. eta vs tors. theta energy: -47.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -527.261657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.261657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.261657 (E_RNA)
where:
Base-Base interactions energy: -385.360
where: short stacking energy: -152.682
Base-Backbone interact. energy: -0.005
local terms energy: -141.896270
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -24.210
flat angles C4'-P-C4' energy: -29.621
flat angles P-C4'-P energy: -21.161
tors. eta vs tors. theta energy: -47.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -508.907417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.907417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.907417 (E_RNA)
where:
Base-Base interactions energy: -384.633
where: short stacking energy: -152.354
Base-Backbone interact. energy: -0.023
local terms energy: -124.251461
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -27.802
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -46.891
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: 3
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -497.881353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.881353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.881353 (E_RNA)
where:
Base-Base interactions energy: -368.367
where: short stacking energy: -132.877
Base-Backbone interact. energy: -0.120
local terms energy: -129.394058
where:
bonds (distance) C4'-P energy: -23.707
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -27.418
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -44.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -287.194225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.194225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.194225 (E_RNA)
where:
Base-Base interactions energy: -198.492
where: short stacking energy: -83.122
Base-Backbone interact. energy: -0.361
local terms energy: -88.341167
where:
bonds (distance) C4'-P energy: -21.016
bonds (distance) P-C4' energy: -21.899
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -13.088
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: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -557.822120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.822120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.822120 (E_RNA)
where:
Base-Base interactions energy: -407.875
where: short stacking energy: -161.775
Base-Backbone interact. energy: -0.915
local terms energy: -149.032247
where:
bonds (distance) C4'-P energy: -23.816
bonds (distance) P-C4' energy: -29.064
flat angles C4'-P-C4' energy: -26.919
flat angles P-C4'-P energy: -22.765
tors. eta vs tors. theta energy: -46.469
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: 6
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -551.319291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.319291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.319291 (E_RNA)
where:
Base-Base interactions energy: -390.567
where: short stacking energy: -153.546
Base-Backbone interact. energy: -1.069
local terms energy: -159.683366
where:
bonds (distance) C4'-P energy: -28.553
bonds (distance) P-C4' energy: -30.921
flat angles C4'-P-C4' energy: -28.936
flat angles P-C4'-P energy: -24.257
tors. eta vs tors. theta energy: -47.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -548.531365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.531365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.531365 (E_RNA)
where:
Base-Base interactions energy: -396.870
where: short stacking energy: -154.272
Base-Backbone interact. energy: -0.122
local terms energy: -151.539100
where:
bonds (distance) C4'-P energy: -26.820
bonds (distance) P-C4' energy: -28.905
flat angles C4'-P-C4' energy: -28.982
flat angles P-C4'-P energy: -21.154
tors. eta vs tors. theta energy: -45.678
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: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -534.231448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.231448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.231448 (E_RNA)
where:
Base-Base interactions energy: -390.231
where: short stacking energy: -145.233
Base-Backbone interact. energy: -0.235
local terms energy: -143.765081
where:
bonds (distance) C4'-P energy: -27.389
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -30.137
flat angles P-C4'-P energy: -18.396
tors. eta vs tors. theta energy: -44.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -538.783935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.783935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.783935 (E_RNA)
where:
Base-Base interactions energy: -403.364
where: short stacking energy: -159.863
Base-Backbone interact. energy: -0.346
local terms energy: -135.073747
where:
bonds (distance) C4'-P energy: -21.976
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -29.533
flat angles P-C4'-P energy: -19.653
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: 6, replica: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -534.509004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.509004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.509004 (E_RNA)
where:
Base-Base interactions energy: -382.839
where: short stacking energy: -151.738
Base-Backbone interact. energy: -0.422
local terms energy: -151.248498
where:
bonds (distance) C4'-P energy: -28.705
bonds (distance) P-C4' energy: -24.792
flat angles C4'-P-C4' energy: -31.134
flat angles P-C4'-P energy: -21.090
tors. eta vs tors. theta energy: -45.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -516.763105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.763105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.763105 (E_RNA)
where:
Base-Base interactions energy: -383.663
where: short stacking energy: -146.369
Base-Backbone interact. energy: -0.793
local terms energy: -132.306894
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -27.295
flat angles C4'-P-C4' energy: -23.262
flat angles P-C4'-P energy: -20.110
tors. eta vs tors. theta energy: -43.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -511.395322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.395322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.395322 (E_RNA)
where:
Base-Base interactions energy: -373.438
where: short stacking energy: -141.549
Base-Backbone interact. energy: -0.738
local terms energy: -137.219662
where:
bonds (distance) C4'-P energy: -24.349
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -29.259
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -45.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -507.342194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.342194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.342194 (E_RNA)
where:
Base-Base interactions energy: -366.673
where: short stacking energy: -145.404
Base-Backbone interact. energy: -0.009
local terms energy: -140.659607
where:
bonds (distance) C4'-P energy: -24.229
bonds (distance) P-C4' energy: -24.284
flat angles C4'-P-C4' energy: -25.419
flat angles P-C4'-P energy: -20.769
tors. eta vs tors. theta energy: -45.958
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: 112
Temperature: 1.350000
Total energy: -294.850568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.850568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.850568 (E_RNA)
where:
Base-Base interactions energy: -199.202
where: short stacking energy: -90.371
Base-Backbone interact. energy: -0.229
local terms energy: -95.420134
where:
bonds (distance) C4'-P energy: -20.344
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -21.662
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: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -563.815134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.815134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.815134 (E_RNA)
where:
Base-Base interactions energy: -403.986
where: short stacking energy: -156.627
Base-Backbone interact. energy: -0.585
local terms energy: -159.243988
where:
bonds (distance) C4'-P energy: -26.814
bonds (distance) P-C4' energy: -26.970
flat angles C4'-P-C4' energy: -30.256
flat angles P-C4'-P energy: -27.497
tors. eta vs tors. theta energy: -47.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -560.817281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.817281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.817281 (E_RNA)
where:
Base-Base interactions energy: -407.757
where: short stacking energy: -160.262
Base-Backbone interact. energy: -0.167
local terms energy: -152.892485
where:
bonds (distance) C4'-P energy: -25.293
bonds (distance) P-C4' energy: -28.941
flat angles C4'-P-C4' energy: -30.650
flat angles P-C4'-P energy: -20.210
tors. eta vs tors. theta energy: -47.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -554.494454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.494454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.494454 (E_RNA)
where:
Base-Base interactions energy: -401.850
where: short stacking energy: -159.419
Base-Backbone interact. energy: -0.999
local terms energy: -151.645201
where:
bonds (distance) C4'-P energy: -23.682
bonds (distance) P-C4' energy: -27.694
flat angles C4'-P-C4' energy: -30.156
flat angles P-C4'-P energy: -25.262
tors. eta vs tors. theta energy: -44.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -534.493334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.493334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.493334 (E_RNA)
where:
Base-Base interactions energy: -392.847
where: short stacking energy: -151.683
Base-Backbone interact. energy: -0.871
local terms energy: -140.775130
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -26.377
flat angles C4'-P-C4' energy: -27.780
flat angles P-C4'-P energy: -20.197
tors. eta vs tors. theta energy: -45.949
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: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -529.180416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.180416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.180416 (E_RNA)
where:
Base-Base interactions energy: -388.661
where: short stacking energy: -156.608
Base-Backbone interact. energy: -0.569
local terms energy: -139.950754
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -27.295
flat angles C4'-P-C4' energy: -30.341
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -44.170
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: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -524.118620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.118620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.118620 (E_RNA)
where:
Base-Base interactions energy: -373.043
where: short stacking energy: -141.380
Base-Backbone interact. energy: -1.569
local terms energy: -149.505823
where:
bonds (distance) C4'-P energy: -29.677
bonds (distance) P-C4' energy: -30.068
flat angles C4'-P-C4' energy: -27.580
flat angles P-C4'-P energy: -21.184
tors. eta vs tors. theta energy: -40.996
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: 7, replica: 4
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -528.818866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.818866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.818866 (E_RNA)
where:
Base-Base interactions energy: -390.186
where: short stacking energy: -155.580
Base-Backbone interact. energy: -1.611
local terms energy: -137.021868
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -21.371
flat angles C4'-P-C4' energy: -28.267
flat angles P-C4'-P energy: -23.859
tors. eta vs tors. theta energy: -46.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -514.575569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.575569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.575569 (E_RNA)
where:
Base-Base interactions energy: -366.779
where: short stacking energy: -143.866
Base-Backbone interact. energy: -0.031
local terms energy: -147.765146
where:
bonds (distance) C4'-P energy: -21.219
bonds (distance) P-C4' energy: -27.332
flat angles C4'-P-C4' energy: -34.589
flat angles P-C4'-P energy: -18.877
tors. eta vs tors. theta energy: -45.749
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: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -509.512142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.512142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.512142 (E_RNA)
where:
Base-Base interactions energy: -371.676
where: short stacking energy: -146.738
Base-Backbone interact. energy: 0.489
local terms energy: -138.325826
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -25.738
flat angles C4'-P-C4' energy: -30.862
flat angles P-C4'-P energy: -20.753
tors. eta vs tors. theta energy: -43.181
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: 2
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -330.176927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.176927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.176927 (E_RNA)
where:
Base-Base interactions energy: -223.943
where: short stacking energy: -86.371
Base-Backbone interact. energy: -0.171
local terms energy: -106.063386
where:
bonds (distance) C4'-P energy: -24.575
bonds (distance) P-C4' energy: -29.773
flat angles C4'-P-C4' energy: -22.671
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -559.872783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.872783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.872783 (E_RNA)
where:
Base-Base interactions energy: -405.103
where: short stacking energy: -164.968
Base-Backbone interact. energy: -0.465
local terms energy: -154.304948
where:
bonds (distance) C4'-P energy: -28.170
bonds (distance) P-C4' energy: -25.052
flat angles C4'-P-C4' energy: -31.240
flat angles P-C4'-P energy: -24.560
tors. eta vs tors. theta energy: -45.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -565.746850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.746850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.746850 (E_RNA)
where:
Base-Base interactions energy: -408.985
where: short stacking energy: -167.224
Base-Backbone interact. energy: -0.474
local terms energy: -156.287600
where:
bonds (distance) C4'-P energy: -32.336
bonds (distance) P-C4' energy: -23.379
flat angles C4'-P-C4' energy: -29.268
flat angles P-C4'-P energy: -24.081
tors. eta vs tors. theta energy: -47.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -560.098254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.098254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.098254 (E_RNA)
where:
Base-Base interactions energy: -404.572
where: short stacking energy: -158.315
Base-Backbone interact. energy: -0.124
local terms energy: -155.402024
where:
bonds (distance) C4'-P energy: -21.812
bonds (distance) P-C4' energy: -29.544
flat angles C4'-P-C4' energy: -31.725
flat angles P-C4'-P energy: -26.954
tors. eta vs tors. theta energy: -45.366
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: 9
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -541.028516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.028516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.028516 (E_RNA)
where:
Base-Base interactions energy: -411.039
where: short stacking energy: -158.600
Base-Backbone interact. energy: -0.350
local terms energy: -129.640181
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -29.219
flat angles P-C4'-P energy: -18.355
tors. eta vs tors. theta energy: -42.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -543.271876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.271876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.271876 (E_RNA)
where:
Base-Base interactions energy: -390.497
where: short stacking energy: -156.326
Base-Backbone interact. energy: -1.364
local terms energy: -151.410972
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -23.859
flat angles C4'-P-C4' energy: -31.622
flat angles P-C4'-P energy: -25.184
tors. eta vs tors. theta energy: -47.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -520.755402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.755402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.755402 (E_RNA)
where:
Base-Base interactions energy: -383.233
where: short stacking energy: -154.075
Base-Backbone interact. energy: -1.187
local terms energy: -136.335562
where:
bonds (distance) C4'-P energy: -23.173
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -28.616
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -46.086
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: 3
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -532.134460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.134460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.134460 (E_RNA)
where:
Base-Base interactions energy: -386.271
where: short stacking energy: -148.563
Base-Backbone interact. energy: -0.650
local terms energy: -145.213335
where:
bonds (distance) C4'-P energy: -27.029
bonds (distance) P-C4' energy: -23.894
flat angles C4'-P-C4' energy: -31.641
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -46.521
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: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -509.169338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.169338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.169338 (E_RNA)
where:
Base-Base interactions energy: -373.180
where: short stacking energy: -141.398
Base-Backbone interact. energy: -0.498
local terms energy: -135.490848
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -28.777
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -45.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -504.166146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.166146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.166146 (E_RNA)
where:
Base-Base interactions energy: -374.770
where: short stacking energy: -145.067
Base-Backbone interact. energy: -0.164
local terms energy: -129.231709
where:
bonds (distance) C4'-P energy: -25.252
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -26.901
flat angles P-C4'-P energy: -18.755
tors. eta vs tors. theta energy: -42.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -369.510416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.510416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.510416 (E_RNA)
where:
Base-Base interactions energy: -256.144
where: short stacking energy: -108.459
Base-Backbone interact. energy: -0.869
local terms energy: -112.497294
where:
bonds (distance) C4'-P energy: -17.581
bonds (distance) P-C4' energy: -23.915
flat angles C4'-P-C4' energy: -23.676
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: -29.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -564.002034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.002034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.002034 (E_RNA)
where:
Base-Base interactions energy: -400.064
where: short stacking energy: -156.179
Base-Backbone interact. energy: -1.740
local terms energy: -162.198626
where:
bonds (distance) C4'-P energy: -26.296
bonds (distance) P-C4' energy: -26.306
flat angles C4'-P-C4' energy: -34.125
flat angles P-C4'-P energy: -25.949
tors. eta vs tors. theta energy: -49.523
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: 2, replica: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -545.910852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.910852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.910852 (E_RNA)
where:
Base-Base interactions energy: -391.406
where: short stacking energy: -155.422
Base-Backbone interact. energy: -0.341
local terms energy: -154.164235
where:
bonds (distance) C4'-P energy: -25.754
bonds (distance) P-C4' energy: -27.388
flat angles C4'-P-C4' energy: -31.991
flat angles P-C4'-P energy: -25.781
tors. eta vs tors. theta energy: -43.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -544.436783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.436783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.436783 (E_RNA)
where:
Base-Base interactions energy: -386.147
where: short stacking energy: -146.873
Base-Backbone interact. energy: -0.001
local terms energy: -158.288512
where:
bonds (distance) C4'-P energy: -25.846
bonds (distance) P-C4' energy: -31.295
flat angles C4'-P-C4' energy: -30.907
flat angles P-C4'-P energy: -25.427
tors. eta vs tors. theta energy: -44.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -551.675495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.675495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.675495 (E_RNA)
where:
Base-Base interactions energy: -402.337
where: short stacking energy: -158.834
Base-Backbone interact. energy: -0.699
local terms energy: -148.639452
where:
bonds (distance) C4'-P energy: -28.540
bonds (distance) P-C4' energy: -21.412
flat angles C4'-P-C4' energy: -27.788
flat angles P-C4'-P energy: -25.762
tors. eta vs tors. theta energy: -45.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -528.113022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.113022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.113022 (E_RNA)
where:
Base-Base interactions energy: -380.926
where: short stacking energy: -147.025
Base-Backbone interact. energy: -0.954
local terms energy: -146.232910
where:
bonds (distance) C4'-P energy: -22.438
bonds (distance) P-C4' energy: -29.420
flat angles C4'-P-C4' energy: -26.425
flat angles P-C4'-P energy: -23.151
tors. eta vs tors. theta energy: -44.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -528.033362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.033362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.033362 (E_RNA)
where:
Base-Base interactions energy: -386.536
where: short stacking energy: -150.549
Base-Backbone interact. energy: -0.274
local terms energy: -141.222813
where:
bonds (distance) C4'-P energy: -24.468
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -28.261
flat angles P-C4'-P energy: -20.049
tors. eta vs tors. theta energy: -45.219
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: 115
Temperature: 1.200000
Total energy: -522.318524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.318524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.318524 (E_RNA)
where:
Base-Base interactions energy: -382.269
where: short stacking energy: -151.944
Base-Backbone interact. energy: -0.223
local terms energy: -139.826118
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -32.745
flat angles P-C4'-P energy: -21.426
tors. eta vs tors. theta energy: -43.454
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: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -510.272466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.272466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.272466 (E_RNA)
where:
Base-Base interactions energy: -379.882
where: short stacking energy: -147.660
Base-Backbone interact. energy: 1.895
local terms energy: -132.285502
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -20.452
flat angles C4'-P-C4' energy: -27.116
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -46.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -510.480394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.480394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.480394 (E_RNA)
where:
Base-Base interactions energy: -380.093
where: short stacking energy: -146.774
Base-Backbone interact. energy: -0.498
local terms energy: -129.889454
where:
bonds (distance) C4'-P energy: -6.306
bonds (distance) P-C4' energy: -26.588
flat angles C4'-P-C4' energy: -32.398
flat angles P-C4'-P energy: -20.801
tors. eta vs tors. theta energy: -43.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -355.321629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.321629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.321629 (E_RNA)
where:
Base-Base interactions energy: -248.191
where: short stacking energy: -99.450
Base-Backbone interact. energy: 0.214
local terms energy: -107.344721
where:
bonds (distance) C4'-P energy: -27.906
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -24.008
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -566.035851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.035851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.035851 (E_RNA)
where:
Base-Base interactions energy: -409.895
where: short stacking energy: -161.086
Base-Backbone interact. energy: -0.535
local terms energy: -155.605464
where:
bonds (distance) C4'-P energy: -27.586
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -30.824
flat angles P-C4'-P energy: -28.209
tors. eta vs tors. theta energy: -46.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -554.307060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.307060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.307060 (E_RNA)
where:
Base-Base interactions energy: -397.870
where: short stacking energy: -161.064
Base-Backbone interact. energy: -0.260
local terms energy: -156.176867
where:
bonds (distance) C4'-P energy: -27.560
bonds (distance) P-C4' energy: -25.496
flat angles C4'-P-C4' energy: -32.207
flat angles P-C4'-P energy: -24.418
tors. eta vs tors. theta energy: -46.495
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: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -553.897041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.897041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.897041 (E_RNA)
where:
Base-Base interactions energy: -398.017
where: short stacking energy: -153.373
Base-Backbone interact. energy: -1.071
local terms energy: -154.808742
where:
bonds (distance) C4'-P energy: -26.034
bonds (distance) P-C4' energy: -24.706
flat angles C4'-P-C4' energy: -32.297
flat angles P-C4'-P energy: -26.122
tors. eta vs tors. theta energy: -45.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -530.737600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.737600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.737600 (E_RNA)
where:
Base-Base interactions energy: -380.182
where: short stacking energy: -144.242
Base-Backbone interact. energy: -0.880
local terms energy: -149.675609
where:
bonds (distance) C4'-P energy: -27.356
bonds (distance) P-C4' energy: -24.690
flat angles C4'-P-C4' energy: -29.480
flat angles P-C4'-P energy: -24.179
tors. eta vs tors. theta energy: -43.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -540.322485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.322485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.322485 (E_RNA)
where:
Base-Base interactions energy: -395.369
where: short stacking energy: -158.212
Base-Backbone interact. energy: -0.231
local terms energy: -144.722467
where:
bonds (distance) C4'-P energy: -25.103
bonds (distance) P-C4' energy: -24.060
flat angles C4'-P-C4' energy: -29.007
flat angles P-C4'-P energy: -20.713
tors. eta vs tors. theta energy: -45.840
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: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -525.932641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.932641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.932641 (E_RNA)
where:
Base-Base interactions energy: -381.293
where: short stacking energy: -152.811
Base-Backbone interact. energy: -0.042
local terms energy: -144.597803
where:
bonds (distance) C4'-P energy: -23.507
bonds (distance) P-C4' energy: -25.701
flat angles C4'-P-C4' energy: -28.615
flat angles P-C4'-P energy: -20.768
tors. eta vs tors. theta energy: -46.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -510.670021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.670021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.670021 (E_RNA)
where:
Base-Base interactions energy: -377.116
where: short stacking energy: -148.659
Base-Backbone interact. energy: -0.591
local terms energy: -132.963106
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -28.029
flat angles C4'-P-C4' energy: -26.377
flat angles P-C4'-P energy: -22.134
tors. eta vs tors. theta energy: -40.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -512.808652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.808652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.808652 (E_RNA)
where:
Base-Base interactions energy: -374.280
where: short stacking energy: -148.783
Base-Backbone interact. energy: 4.042
local terms energy: -142.570815
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -30.005
flat angles C4'-P-C4' energy: -26.341
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: -45.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -507.943717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.943717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.943717 (E_RNA)
where:
Base-Base interactions energy: -373.210
where: short stacking energy: -144.445
Base-Backbone interact. energy: -0.202
local terms energy: -134.531118
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -21.813
flat angles C4'-P-C4' energy: -29.208
flat angles P-C4'-P energy: -19.809
tors. eta vs tors. theta energy: -45.911
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: 116
Temperature: 1.350000
Total energy: -325.758138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.758138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.758138 (E_RNA)
where:
Base-Base interactions energy: -226.165
where: short stacking energy: -94.777
Base-Backbone interact. energy: 0.705
local terms energy: -100.298861
where:
bonds (distance) C4'-P energy: -20.274
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -19.513
tors. eta vs tors. theta energy: -21.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -566.307279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.307279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.307279 (E_RNA)
where:
Base-Base interactions energy: -409.966
where: short stacking energy: -164.574
Base-Backbone interact. energy: -0.136
local terms energy: -156.205788
where:
bonds (distance) C4'-P energy: -24.636
bonds (distance) P-C4' energy: -27.929
flat angles C4'-P-C4' energy: -31.522
flat angles P-C4'-P energy: -22.996
tors. eta vs tors. theta energy: -49.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -548.438073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.438073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.438073 (E_RNA)
where:
Base-Base interactions energy: -399.214
where: short stacking energy: -158.820
Base-Backbone interact. energy: -0.781
local terms energy: -148.443213
where:
bonds (distance) C4'-P energy: -23.709
bonds (distance) P-C4' energy: -26.048
flat angles C4'-P-C4' energy: -28.646
flat angles P-C4'-P energy: -27.142
tors. eta vs tors. theta energy: -42.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -558.764422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.764422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.764422 (E_RNA)
where:
Base-Base interactions energy: -404.930
where: short stacking energy: -155.979
Base-Backbone interact. energy: -0.624
local terms energy: -153.210133
where:
bonds (distance) C4'-P energy: -27.089
bonds (distance) P-C4' energy: -27.610
flat angles C4'-P-C4' energy: -28.920
flat angles P-C4'-P energy: -20.391
tors. eta vs tors. theta energy: -49.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -546.206861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.206861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.206861 (E_RNA)
where:
Base-Base interactions energy: -394.142
where: short stacking energy: -155.209
Base-Backbone interact. energy: -0.006
local terms energy: -152.058875
where:
bonds (distance) C4'-P energy: -24.070
bonds (distance) P-C4' energy: -30.618
flat angles C4'-P-C4' energy: -29.804
flat angles P-C4'-P energy: -21.095
tors. eta vs tors. theta energy: -46.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -545.754456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.754456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.754456 (E_RNA)
where:
Base-Base interactions energy: -399.341
where: short stacking energy: -156.286
Base-Backbone interact. energy: -0.855
local terms energy: -145.558385
where:
bonds (distance) C4'-P energy: -29.487
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -32.277
flat angles P-C4'-P energy: -18.687
tors. eta vs tors. theta energy: -43.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -525.156884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.156884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.156884 (E_RNA)
where:
Base-Base interactions energy: -382.474
where: short stacking energy: -146.966
Base-Backbone interact. energy: -0.315
local terms energy: -142.367580
where:
bonds (distance) C4'-P energy: -22.626
bonds (distance) P-C4' energy: -23.921
flat angles C4'-P-C4' energy: -29.313
flat angles P-C4'-P energy: -19.896
tors. eta vs tors. theta energy: -46.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -525.047991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.047991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.047991 (E_RNA)
where:
Base-Base interactions energy: -378.493
where: short stacking energy: -151.223
Base-Backbone interact. energy: -1.770
local terms energy: -144.785004
where:
bonds (distance) C4'-P energy: -24.900
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -30.371
flat angles P-C4'-P energy: -18.138
tors. eta vs tors. theta energy: -46.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -511.625299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.625299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.625299 (E_RNA)
where:
Base-Base interactions energy: -370.450
where: short stacking energy: -139.810
Base-Backbone interact. energy: -0.527
local terms energy: -140.647622
where:
bonds (distance) C4'-P energy: -23.079
bonds (distance) P-C4' energy: -26.406
flat angles C4'-P-C4' energy: -27.701
flat angles P-C4'-P energy: -17.613
tors. eta vs tors. theta energy: -45.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -498.261511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.261511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.261511 (E_RNA)
where:
Base-Base interactions energy: -373.323
where: short stacking energy: -138.013
Base-Backbone interact. energy: -0.130
local terms energy: -124.808527
where:
bonds (distance) C4'-P energy: -23.507
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -28.379
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -42.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -329.873674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.873674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.873674 (E_RNA)
where:
Base-Base interactions energy: -220.482
where: short stacking energy: -85.478
Base-Backbone interact. energy: -0.327
local terms energy: -109.064961
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -25.291
flat angles C4'-P-C4' energy: -26.784
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -21.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -559.137229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.137229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.137229 (E_RNA)
where:
Base-Base interactions energy: -403.230
where: short stacking energy: -161.941
Base-Backbone interact. energy: -0.123
local terms energy: -155.783891
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -31.397
flat angles C4'-P-C4' energy: -27.194
flat angles P-C4'-P energy: -26.716
tors. eta vs tors. theta energy: -47.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -562.887091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.887091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.887091 (E_RNA)
where:
Base-Base interactions energy: -403.684
where: short stacking energy: -159.233
Base-Backbone interact. energy: -0.002
local terms energy: -159.200781
where:
bonds (distance) C4'-P energy: -30.166
bonds (distance) P-C4' energy: -25.029
flat angles C4'-P-C4' energy: -30.510
flat angles P-C4'-P energy: -23.954
tors. eta vs tors. theta energy: -49.543
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: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -548.068980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.068980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.068980 (E_RNA)
where:
Base-Base interactions energy: -393.944
where: short stacking energy: -156.233
Base-Backbone interact. energy: -1.013
local terms energy: -153.112324
where:
bonds (distance) C4'-P energy: -25.947
bonds (distance) P-C4' energy: -29.502
flat angles C4'-P-C4' energy: -31.009
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -46.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -542.316667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.316667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.316667 (E_RNA)
where:
Base-Base interactions energy: -390.196
where: short stacking energy: -145.026
Base-Backbone interact. energy: -1.062
local terms energy: -151.058908
where:
bonds (distance) C4'-P energy: -27.007
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -29.634
flat angles P-C4'-P energy: -23.339
tors. eta vs tors. theta energy: -47.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -554.449664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.449664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.449664 (E_RNA)
where:
Base-Base interactions energy: -394.707
where: short stacking energy: -151.988
Base-Backbone interact. energy: -0.250
local terms energy: -159.493065
where:
bonds (distance) C4'-P energy: -28.268
bonds (distance) P-C4' energy: -25.538
flat angles C4'-P-C4' energy: -31.902
flat angles P-C4'-P energy: -25.530
tors. eta vs tors. theta energy: -48.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -530.137464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.137464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.137464 (E_RNA)
where:
Base-Base interactions energy: -382.369
where: short stacking energy: -148.413
Base-Backbone interact. energy: -0.002
local terms energy: -147.766051
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -31.679
flat angles C4'-P-C4' energy: -29.385
flat angles P-C4'-P energy: -19.411
tors. eta vs tors. theta energy: -46.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -522.232115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.232115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.232115 (E_RNA)
where:
Base-Base interactions energy: -377.170
where: short stacking energy: -143.392
Base-Backbone interact. energy: -0.625
local terms energy: -144.436796
where:
bonds (distance) C4'-P energy: -23.790
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -29.431
flat angles P-C4'-P energy: -20.679
tors. eta vs tors. theta energy: -42.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -503.882755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.882755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.882755 (E_RNA)
where:
Base-Base interactions energy: -367.210
where: short stacking energy: -145.181
Base-Backbone interact. energy: -0.534
local terms energy: -136.139204
where:
bonds (distance) C4'-P energy: -22.921
bonds (distance) P-C4' energy: -20.813
flat angles C4'-P-C4' energy: -27.642
flat angles P-C4'-P energy: -17.797
tors. eta vs tors. theta energy: -46.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -488.246958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.246958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.246958 (E_RNA)
where:
Base-Base interactions energy: -370.374
where: short stacking energy: -140.093
Base-Backbone interact. energy: -0.163
local terms energy: -117.710014
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -29.263
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -43.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -307.987890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.987890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.987890 (E_RNA)
where:
Base-Base interactions energy: -208.811
where: short stacking energy: -83.806
Base-Backbone interact. energy: -0.654
local terms energy: -98.523248
where:
bonds (distance) C4'-P energy: -23.195
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -18.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -556.097242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.097242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.097242 (E_RNA)
where:
Base-Base interactions energy: -407.860
where: short stacking energy: -161.392
Base-Backbone interact. energy: -1.210
local terms energy: -147.026827
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -32.752
flat angles P-C4'-P energy: -22.555
tors. eta vs tors. theta energy: -46.432
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: 2, replica: 9
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -558.403248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.403248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.403248 (E_RNA)
where:
Base-Base interactions energy: -399.603
where: short stacking energy: -161.061
Base-Backbone interact. energy: -0.558
local terms energy: -158.241915
where:
bonds (distance) C4'-P energy: -26.641
bonds (distance) P-C4' energy: -31.891
flat angles C4'-P-C4' energy: -29.698
flat angles P-C4'-P energy: -22.264
tors. eta vs tors. theta energy: -47.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -548.313225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.313225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.313225 (E_RNA)
where:
Base-Base interactions energy: -404.285
where: short stacking energy: -157.225
Base-Backbone interact. energy: -0.706
local terms energy: -143.322791
where:
bonds (distance) C4'-P energy: -26.426
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -29.766
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: -46.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -540.106581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.106581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.106581 (E_RNA)
where:
Base-Base interactions energy: -386.069
where: short stacking energy: -152.550
Base-Backbone interact. energy: -1.821
local terms energy: -152.216198
where:
bonds (distance) C4'-P energy: -26.292
bonds (distance) P-C4' energy: -30.190
flat angles C4'-P-C4' energy: -29.323
flat angles P-C4'-P energy: -18.743
tors. eta vs tors. theta energy: -47.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -521.128520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.128520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.128520 (E_RNA)
where:
Base-Base interactions energy: -380.416
where: short stacking energy: -153.907
Base-Backbone interact. energy: -0.509
local terms energy: -140.203520
where:
bonds (distance) C4'-P energy: -20.316
bonds (distance) P-C4' energy: -23.833
flat angles C4'-P-C4' energy: -30.886
flat angles P-C4'-P energy: -19.462
tors. eta vs tors. theta energy: -45.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -525.538241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.538241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.538241 (E_RNA)
where:
Base-Base interactions energy: -386.034
where: short stacking energy: -147.581
Base-Backbone interact. energy: -0.545
local terms energy: -138.958761
where:
bonds (distance) C4'-P energy: -21.167
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -27.104
flat angles P-C4'-P energy: -22.795
tors. eta vs tors. theta energy: -47.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -494.108430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.108430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.108430 (E_RNA)
where:
Base-Base interactions energy: -358.747
where: short stacking energy: -133.908
Base-Backbone interact. energy: -0.932
local terms energy: -134.429907
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -32.070
flat angles C4'-P-C4' energy: -24.466
flat angles P-C4'-P energy: -23.235
tors. eta vs tors. theta energy: -37.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -501.976097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.976097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.976097 (E_RNA)
where:
Base-Base interactions energy: -375.070
where: short stacking energy: -140.761
Base-Backbone interact. energy: -0.035
local terms energy: -126.871274
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -24.898
flat angles P-C4'-P energy: -21.786
tors. eta vs tors. theta energy: -44.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -486.632120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.632120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.632120 (E_RNA)
where:
Base-Base interactions energy: -343.957
where: short stacking energy: -130.797
Base-Backbone interact. energy: -0.791
local terms energy: -141.884115
where:
bonds (distance) C4'-P energy: -21.454
bonds (distance) P-C4' energy: -29.387
flat angles C4'-P-C4' energy: -29.823
flat angles P-C4'-P energy: -20.246
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: 10, replica: 2
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -300.611869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.611869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.611869 (E_RNA)
where:
Base-Base interactions energy: -183.116
where: short stacking energy: -71.803
Base-Backbone interact. energy: -0.801
local terms energy: -116.695235
where:
bonds (distance) C4'-P energy: -25.825
bonds (distance) P-C4' energy: -29.485
flat angles C4'-P-C4' energy: -25.687
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -18.030
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: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -558.604113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.604113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.604113 (E_RNA)
where:
Base-Base interactions energy: -399.440
where: short stacking energy: -153.313
Base-Backbone interact. energy: -0.030
local terms energy: -159.133962
where:
bonds (distance) C4'-P energy: -29.317
bonds (distance) P-C4' energy: -29.598
flat angles C4'-P-C4' energy: -32.513
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -48.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -558.433048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.433048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.433048 (E_RNA)
where:
Base-Base interactions energy: -404.599
where: short stacking energy: -162.588
Base-Backbone interact. energy: -1.914
local terms energy: -151.919794
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -26.713
flat angles C4'-P-C4' energy: -34.396
flat angles P-C4'-P energy: -22.473
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: 3, replica: 1
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -548.415238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.415238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.415238 (E_RNA)
where:
Base-Base interactions energy: -398.351
where: short stacking energy: -155.318
Base-Backbone interact. energy: -0.009
local terms energy: -150.054470
where:
bonds (distance) C4'-P energy: -24.234
bonds (distance) P-C4' energy: -29.735
flat angles C4'-P-C4' energy: -29.752
flat angles P-C4'-P energy: -19.996
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: 4, replica: 7
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -533.198809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.198809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.198809 (E_RNA)
where:
Base-Base interactions energy: -385.728
where: short stacking energy: -151.931
Base-Backbone interact. energy: -0.705
local terms energy: -146.766552
where:
bonds (distance) C4'-P energy: -25.107
bonds (distance) P-C4' energy: -25.817
flat angles C4'-P-C4' energy: -32.199
flat angles P-C4'-P energy: -18.272
tors. eta vs tors. theta energy: -45.373
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: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -530.741733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.741733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.741733 (E_RNA)
where:
Base-Base interactions energy: -395.851
where: short stacking energy: -154.194
Base-Backbone interact. energy: -0.030
local terms energy: -134.860939
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -27.591
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -48.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -528.039696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.039696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.039696 (E_RNA)
where:
Base-Base interactions energy: -379.799
where: short stacking energy: -144.111
Base-Backbone interact. energy: -0.032
local terms energy: -148.209330
where:
bonds (distance) C4'-P energy: -27.066
bonds (distance) P-C4' energy: -25.742
flat angles C4'-P-C4' energy: -30.313
flat angles P-C4'-P energy: -22.779
tors. eta vs tors. theta energy: -42.310
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: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -522.182063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.182063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.182063 (E_RNA)
where:
Base-Base interactions energy: -379.101
where: short stacking energy: -142.966
Base-Backbone interact. energy: -0.318
local terms energy: -142.762516
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -28.145
flat angles C4'-P-C4' energy: -30.555
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: -45.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -505.525737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.525737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.525737 (E_RNA)
where:
Base-Base interactions energy: -367.076
where: short stacking energy: -142.080
Base-Backbone interact. energy: -0.502
local terms energy: -137.947225
where:
bonds (distance) C4'-P energy: -23.096
bonds (distance) P-C4' energy: -24.522
flat angles C4'-P-C4' energy: -26.043
flat angles P-C4'-P energy: -20.367
tors. eta vs tors. theta energy: -43.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -496.593898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.593898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.593898 (E_RNA)
where:
Base-Base interactions energy: -372.244
where: short stacking energy: -139.030
Base-Backbone interact. energy: -0.826
local terms energy: -123.523577
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -22.490
flat angles P-C4'-P energy: -21.270
tors. eta vs tors. theta energy: -41.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -306.728769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.728769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.728769 (E_RNA)
where:
Base-Base interactions energy: -202.696
where: short stacking energy: -85.922
Base-Backbone interact. energy: -1.703
local terms energy: -102.328835
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -27.758
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -19.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -565.304253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.304253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.304253 (E_RNA)
where:
Base-Base interactions energy: -411.204
where: short stacking energy: -160.611
Base-Backbone interact. energy: -0.647
local terms energy: -153.452723
where:
bonds (distance) C4'-P energy: -22.215
bonds (distance) P-C4' energy: -31.551
flat angles C4'-P-C4' energy: -30.487
flat angles P-C4'-P energy: -21.529
tors. eta vs tors. theta energy: -47.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -553.449634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.449634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.449634 (E_RNA)
where:
Base-Base interactions energy: -397.660
where: short stacking energy: -155.617
Base-Backbone interact. energy: -0.007
local terms energy: -155.782020
where:
bonds (distance) C4'-P energy: -28.784
bonds (distance) P-C4' energy: -29.398
flat angles C4'-P-C4' energy: -27.271
flat angles P-C4'-P energy: -24.150
tors. eta vs tors. theta energy: -46.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -539.748407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.748407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.748407 (E_RNA)
where:
Base-Base interactions energy: -398.978
where: short stacking energy: -149.853
Base-Backbone interact. energy: -0.249
local terms energy: -140.521752
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -27.952
flat angles C4'-P-C4' energy: -30.742
flat angles P-C4'-P energy: -22.871
tors. eta vs tors. theta energy: -44.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -535.760048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.760048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.760048 (E_RNA)
where:
Base-Base interactions energy: -396.328
where: short stacking energy: -152.329
Base-Backbone interact. energy: -1.272
local terms energy: -138.159778
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -24.298
flat angles C4'-P-C4' energy: -28.886
flat angles P-C4'-P energy: -21.510
tors. eta vs tors. theta energy: -45.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -535.593207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.593207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.593207 (E_RNA)
where:
Base-Base interactions energy: -393.484
where: short stacking energy: -152.059
Base-Backbone interact. energy: -0.582
local terms energy: -141.526788
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -27.188
flat angles C4'-P-C4' energy: -25.011
flat angles P-C4'-P energy: -22.790
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: 121
Temperature: 1.150000
Total energy: -533.954789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.954789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.954789 (E_RNA)
where:
Base-Base interactions energy: -391.461
where: short stacking energy: -151.699
Base-Backbone interact. energy: -0.015
local terms energy: -142.478369
where:
bonds (distance) C4'-P energy: -23.267
bonds (distance) P-C4' energy: -28.022
flat angles C4'-P-C4' energy: -28.601
flat angles P-C4'-P energy: -18.547
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: 7, replica: 3
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -512.736117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.736117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.736117 (E_RNA)
where:
Base-Base interactions energy: -373.681
where: short stacking energy: -140.612
Base-Backbone interact. energy: -0.799
local terms energy: -138.255278
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -26.918
flat angles C4'-P-C4' energy: -27.786
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -45.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -508.912525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.912525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.912525 (E_RNA)
where:
Base-Base interactions energy: -383.845
where: short stacking energy: -147.969
Base-Backbone interact. energy: -0.129
local terms energy: -124.938453
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -24.589
flat angles P-C4'-P energy: -20.135
tors. eta vs tors. theta energy: -45.722
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: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -504.023970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.023970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.023970 (E_RNA)
where:
Base-Base interactions energy: -380.379
where: short stacking energy: -146.002
Base-Backbone interact. energy: -0.758
local terms energy: -122.887694
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -26.180
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -45.013
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: 2
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -297.332259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.332259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.332259 (E_RNA)
where:
Base-Base interactions energy: -193.472
where: short stacking energy: -84.351
Base-Backbone interact. energy: -1.510
local terms energy: -102.350193
where:
bonds (distance) C4'-P energy: -25.244
bonds (distance) P-C4' energy: -20.857
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -20.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -558.918489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.918489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.918489 (E_RNA)
where:
Base-Base interactions energy: -402.639
where: short stacking energy: -158.799
Base-Backbone interact. energy: -0.331
local terms energy: -155.948947
where:
bonds (distance) C4'-P energy: -24.835
bonds (distance) P-C4' energy: -29.391
flat angles C4'-P-C4' energy: -31.142
flat angles P-C4'-P energy: -25.034
tors. eta vs tors. theta energy: -45.547
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: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -556.066170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.066170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.066170 (E_RNA)
where:
Base-Base interactions energy: -401.250
where: short stacking energy: -154.912
Base-Backbone interact. energy: -1.010
local terms energy: -153.805681
where:
bonds (distance) C4'-P energy: -29.682
bonds (distance) P-C4' energy: -26.978
flat angles C4'-P-C4' energy: -28.401
flat angles P-C4'-P energy: -23.391
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: 6
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -553.615992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.615992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.615992 (E_RNA)
where:
Base-Base interactions energy: -407.499
where: short stacking energy: -161.724
Base-Backbone interact. energy: -0.460
local terms energy: -145.657319
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -25.258
flat angles C4'-P-C4' energy: -31.735
flat angles P-C4'-P energy: -23.705
tors. eta vs tors. theta energy: -45.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -543.521907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.521907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.521907 (E_RNA)
where:
Base-Base interactions energy: -396.247
where: short stacking energy: -157.806
Base-Backbone interact. energy: -0.691
local terms energy: -146.583363
where:
bonds (distance) C4'-P energy: -22.010
bonds (distance) P-C4' energy: -23.389
flat angles C4'-P-C4' energy: -26.852
flat angles P-C4'-P energy: -26.385
tors. eta vs tors. theta energy: -47.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -535.050973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.050973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.050973 (E_RNA)
where:
Base-Base interactions energy: -391.162
where: short stacking energy: -150.245
Base-Backbone interact. energy: -1.086
local terms energy: -142.802692
where:
bonds (distance) C4'-P energy: -23.691
bonds (distance) P-C4' energy: -27.621
flat angles C4'-P-C4' energy: -28.124
flat angles P-C4'-P energy: -20.563
tors. eta vs tors. theta energy: -42.804
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: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -528.853761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.853761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.853761 (E_RNA)
where:
Base-Base interactions energy: -386.798
where: short stacking energy: -151.580
Base-Backbone interact. energy: -1.263
local terms energy: -140.793555
where:
bonds (distance) C4'-P energy: -20.255
bonds (distance) P-C4' energy: -23.606
flat angles C4'-P-C4' energy: -27.263
flat angles P-C4'-P energy: -23.894
tors. eta vs tors. theta energy: -45.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -521.111530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.111530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.111530 (E_RNA)
where:
Base-Base interactions energy: -381.196
where: short stacking energy: -153.820
Base-Backbone interact. energy: -0.103
local terms energy: -139.813205
where:
bonds (distance) C4'-P energy: -25.840
bonds (distance) P-C4' energy: -23.907
flat angles C4'-P-C4' energy: -27.421
flat angles P-C4'-P energy: -17.232
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: 8, replica: 3
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -523.623801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.623801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.623801 (E_RNA)
where:
Base-Base interactions energy: -384.272
where: short stacking energy: -147.936
Base-Backbone interact. energy: -0.285
local terms energy: -139.066619
where:
bonds (distance) C4'-P energy: -25.235
bonds (distance) P-C4' energy: -20.407
flat angles C4'-P-C4' energy: -30.592
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -45.706
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: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -505.232931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.232931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.232931 (E_RNA)
where:
Base-Base interactions energy: -366.544
where: short stacking energy: -131.215
Base-Backbone interact. energy: -0.184
local terms energy: -138.504835
where:
bonds (distance) C4'-P energy: -26.284
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -26.563
flat angles P-C4'-P energy: -22.081
tors. eta vs tors. theta energy: -41.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -294.955704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.955704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.955704 (E_RNA)
where:
Base-Base interactions energy: -189.080
where: short stacking energy: -76.921
Base-Backbone interact. energy: -1.232
local terms energy: -104.643707
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -30.993
flat angles C4'-P-C4' energy: -23.074
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -15.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -563.989761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.989761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.989761 (E_RNA)
where:
Base-Base interactions energy: -404.872
where: short stacking energy: -161.223
Base-Backbone interact. energy: -0.000
local terms energy: -159.117629
where:
bonds (distance) C4'-P energy: -28.594
bonds (distance) P-C4' energy: -31.177
flat angles C4'-P-C4' energy: -33.422
flat angles P-C4'-P energy: -18.709
tors. eta vs tors. theta energy: -47.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -550.751125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.751125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.751125 (E_RNA)
where:
Base-Base interactions energy: -396.496
where: short stacking energy: -155.390
Base-Backbone interact. energy: -0.409
local terms energy: -153.845674
where:
bonds (distance) C4'-P energy: -29.020
bonds (distance) P-C4' energy: -27.241
flat angles C4'-P-C4' energy: -28.734
flat angles P-C4'-P energy: -23.203
tors. eta vs tors. theta energy: -45.648
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: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -553.839661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.839661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.839661 (E_RNA)
where:
Base-Base interactions energy: -403.159
where: short stacking energy: -161.405
Base-Backbone interact. energy: -0.090
local terms energy: -150.590285
where:
bonds (distance) C4'-P energy: -26.614
bonds (distance) P-C4' energy: -29.871
flat angles C4'-P-C4' energy: -28.163
flat angles P-C4'-P energy: -18.901
tors. eta vs tors. theta energy: -47.040
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: 10
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -543.639747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.639747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.639747 (E_RNA)
where:
Base-Base interactions energy: -388.444
where: short stacking energy: -151.979
Base-Backbone interact. energy: -1.139
local terms energy: -154.057351
where:
bonds (distance) C4'-P energy: -27.381
bonds (distance) P-C4' energy: -29.941
flat angles C4'-P-C4' energy: -27.598
flat angles P-C4'-P energy: -24.208
tors. eta vs tors. theta energy: -44.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -541.266285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.266285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.266285 (E_RNA)
where:
Base-Base interactions energy: -392.368
where: short stacking energy: -154.196
Base-Backbone interact. energy: -0.438
local terms energy: -148.459993
where:
bonds (distance) C4'-P energy: -29.054
bonds (distance) P-C4' energy: -28.066
flat angles C4'-P-C4' energy: -27.995
flat angles P-C4'-P energy: -19.550
tors. eta vs tors. theta energy: -43.796
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: 123
Temperature: 1.150000
Total energy: -534.480897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.480897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.480897 (E_RNA)
where:
Base-Base interactions energy: -402.119
where: short stacking energy: -158.868
Base-Backbone interact. energy: -0.004
local terms energy: -132.357469
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -20.796
flat angles C4'-P-C4' energy: -25.774
flat angles P-C4'-P energy: -20.421
tors. eta vs tors. theta energy: -44.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -528.333940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.333940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.333940 (E_RNA)
where:
Base-Base interactions energy: -380.259
where: short stacking energy: -142.025
Base-Backbone interact. energy: -0.003
local terms energy: -148.072141
where:
bonds (distance) C4'-P energy: -25.565
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -31.630
flat angles P-C4'-P energy: -20.027
tors. eta vs tors. theta energy: -47.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -515.084924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.084924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.084924 (E_RNA)
where:
Base-Base interactions energy: -369.551
where: short stacking energy: -141.576
Base-Backbone interact. energy: -0.036
local terms energy: -145.498138
where:
bonds (distance) C4'-P energy: -24.436
bonds (distance) P-C4' energy: -27.972
flat angles C4'-P-C4' energy: -29.270
flat angles P-C4'-P energy: -20.219
tors. eta vs tors. theta energy: -43.602
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: 3
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -519.586447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.586447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.586447 (E_RNA)
where:
Base-Base interactions energy: -378.532
where: short stacking energy: -148.484
Base-Backbone interact. energy: -1.947
local terms energy: -139.106919
where:
bonds (distance) C4'-P energy: -22.875
bonds (distance) P-C4' energy: -24.750
flat angles C4'-P-C4' energy: -24.758
flat angles P-C4'-P energy: -19.912
tors. eta vs tors. theta energy: -46.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -342.848601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.848601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.848601 (E_RNA)
where:
Base-Base interactions energy: -229.217
where: short stacking energy: -86.784
Base-Backbone interact. energy: 1.588
local terms energy: -115.219736
where:
bonds (distance) C4'-P energy: -25.989
bonds (distance) P-C4' energy: -23.509
flat angles C4'-P-C4' energy: -26.911
flat angles P-C4'-P energy: -20.399
tors. eta vs tors. theta energy: -18.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -571.565634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.565634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.565634 (E_RNA)
where:
Base-Base interactions energy: -403.889
where: short stacking energy: -156.362
Base-Backbone interact. energy: -0.910
local terms energy: -166.766421
where:
bonds (distance) C4'-P energy: -28.112
bonds (distance) P-C4' energy: -33.918
flat angles C4'-P-C4' energy: -32.434
flat angles P-C4'-P energy: -24.981
tors. eta vs tors. theta energy: -47.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -559.097930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.097930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.097930 (E_RNA)
where:
Base-Base interactions energy: -403.914
where: short stacking energy: -158.528
Base-Backbone interact. energy: -0.293
local terms energy: -154.891011
where:
bonds (distance) C4'-P energy: -27.547
bonds (distance) P-C4' energy: -28.163
flat angles C4'-P-C4' energy: -32.703
flat angles P-C4'-P energy: -21.034
tors. eta vs tors. theta energy: -45.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -551.482488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.482488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.482488 (E_RNA)
where:
Base-Base interactions energy: -408.868
where: short stacking energy: -158.895
Base-Backbone interact. energy: -0.510
local terms energy: -142.103967
where:
bonds (distance) C4'-P energy: -22.035
bonds (distance) P-C4' energy: -25.103
flat angles C4'-P-C4' energy: -27.711
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -49.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -536.873429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.873429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.873429 (E_RNA)
where:
Base-Base interactions energy: -388.717
where: short stacking energy: -149.925
Base-Backbone interact. energy: -0.059
local terms energy: -148.098145
where:
bonds (distance) C4'-P energy: -24.147
bonds (distance) P-C4' energy: -26.284
flat angles C4'-P-C4' energy: -31.606
flat angles P-C4'-P energy: -22.390
tors. eta vs tors. theta energy: -43.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -527.668389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.668389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.668389 (E_RNA)
where:
Base-Base interactions energy: -396.294
where: short stacking energy: -160.474
Base-Backbone interact. energy: -0.475
local terms energy: -130.899318
where:
bonds (distance) C4'-P energy: -22.945
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -25.937
flat angles P-C4'-P energy: -15.563
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: 6, replica: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -545.029253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.029253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.029253 (E_RNA)
where:
Base-Base interactions energy: -397.601
where: short stacking energy: -153.175
Base-Backbone interact. energy: -0.876
local terms energy: -146.552061
where:
bonds (distance) C4'-P energy: -22.365
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -30.033
flat angles P-C4'-P energy: -21.199
tors. eta vs tors. theta energy: -49.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -518.055433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.055433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.055433 (E_RNA)
where:
Base-Base interactions energy: -377.253
where: short stacking energy: -147.489
Base-Backbone interact. energy: -0.436
local terms energy: -140.366158
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -27.333
flat angles C4'-P-C4' energy: -25.534
flat angles P-C4'-P energy: -22.648
tors. eta vs tors. theta energy: -46.014
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: 8, replica: 5
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -518.580803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.580803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.580803 (E_RNA)
where:
Base-Base interactions energy: -380.459
where: short stacking energy: -149.796
Base-Backbone interact. energy: -0.184
local terms energy: -137.938114
where:
bonds (distance) C4'-P energy: -22.040
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -32.271
flat angles P-C4'-P energy: -17.864
tors. eta vs tors. theta energy: -43.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -494.504214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.504214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.504214 (E_RNA)
where:
Base-Base interactions energy: -362.872
where: short stacking energy: -142.827
Base-Backbone interact. energy: -1.108
local terms energy: -130.523887
where:
bonds (distance) C4'-P energy: -24.950
bonds (distance) P-C4' energy: -22.617
flat angles C4'-P-C4' energy: -25.787
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -42.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -364.378584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.378584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.378584 (E_RNA)
where:
Base-Base interactions energy: -247.935
where: short stacking energy: -103.810
Base-Backbone interact. energy: -0.519
local terms energy: -115.924505
where:
bonds (distance) C4'-P energy: -21.081
bonds (distance) P-C4' energy: -25.875
flat angles C4'-P-C4' energy: -24.457
flat angles P-C4'-P energy: -20.123
tors. eta vs tors. theta energy: -24.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -563.117390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.117390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.117390 (E_RNA)
where:
Base-Base interactions energy: -409.755
where: short stacking energy: -162.988
Base-Backbone interact. energy: -0.884
local terms energy: -152.478028
where:
bonds (distance) C4'-P energy: -26.179
bonds (distance) P-C4' energy: -23.108
flat angles C4'-P-C4' energy: -33.150
flat angles P-C4'-P energy: -21.744
tors. eta vs tors. theta energy: -48.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -559.705823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.705823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.705823 (E_RNA)
where:
Base-Base interactions energy: -405.356
where: short stacking energy: -158.904
Base-Backbone interact. energy: -1.380
local terms energy: -152.969682
where:
bonds (distance) C4'-P energy: -26.687
bonds (distance) P-C4' energy: -23.767
flat angles C4'-P-C4' energy: -30.588
flat angles P-C4'-P energy: -23.783
tors. eta vs tors. theta energy: -48.146
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: 6
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -547.468155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.468155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.468155 (E_RNA)
where:
Base-Base interactions energy: -397.632
where: short stacking energy: -157.415
Base-Backbone interact. energy: -0.998
local terms energy: -148.838645
where:
bonds (distance) C4'-P energy: -27.117
bonds (distance) P-C4' energy: -24.774
flat angles C4'-P-C4' energy: -28.303
flat angles P-C4'-P energy: -22.779
tors. eta vs tors. theta energy: -45.866
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: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -543.359585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.359585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.359585 (E_RNA)
where:
Base-Base interactions energy: -394.577
where: short stacking energy: -151.945
Base-Backbone interact. energy: -0.306
local terms energy: -148.476970
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -28.785
flat angles C4'-P-C4' energy: -30.763
flat angles P-C4'-P energy: -21.217
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: 5, replica: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -542.678090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.678090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.678090 (E_RNA)
where:
Base-Base interactions energy: -399.122
where: short stacking energy: -159.589
Base-Backbone interact. energy: -0.874
local terms energy: -142.682133
where:
bonds (distance) C4'-P energy: -25.470
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -27.316
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -46.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -520.585790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.585790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.585790 (E_RNA)
where:
Base-Base interactions energy: -385.840
where: short stacking energy: -148.163
Base-Backbone interact. energy: -0.572
local terms energy: -134.173440
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -29.538
flat angles C4'-P-C4' energy: -29.679
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -46.419
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: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -530.535987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.535987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.535987 (E_RNA)
where:
Base-Base interactions energy: -392.247
where: short stacking energy: -151.587
Base-Backbone interact. energy: -0.004
local terms energy: -138.285434
where:
bonds (distance) C4'-P energy: -24.623
bonds (distance) P-C4' energy: -25.963
flat angles C4'-P-C4' energy: -23.320
flat angles P-C4'-P energy: -19.869
tors. eta vs tors. theta energy: -44.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -505.438147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.438147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.438147 (E_RNA)
where:
Base-Base interactions energy: -371.767
where: short stacking energy: -142.092
Base-Backbone interact. energy: 0.534
local terms energy: -134.204632
where:
bonds (distance) C4'-P energy: -25.702
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -26.852
flat angles P-C4'-P energy: -24.145
tors. eta vs tors. theta energy: -41.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -502.157161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.157161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.157161 (E_RNA)
where:
Base-Base interactions energy: -368.973
where: short stacking energy: -147.536
Base-Backbone interact. energy: -0.123
local terms energy: -133.061650
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -25.052
flat angles C4'-P-C4' energy: -29.978
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -42.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -364.070373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.070373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.070373 (E_RNA)
where:
Base-Base interactions energy: -251.126
where: short stacking energy: -109.515
Base-Backbone interact. energy: -1.458
local terms energy: -111.485923
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -26.008
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -29.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -567.520798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.520798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.520798 (E_RNA)
where:
Base-Base interactions energy: -407.277
where: short stacking energy: -159.542
Base-Backbone interact. energy: -0.001
local terms energy: -160.243074
where:
bonds (distance) C4'-P energy: -30.932
bonds (distance) P-C4' energy: -26.200
flat angles C4'-P-C4' energy: -29.160
flat angles P-C4'-P energy: -25.372
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: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -560.131030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.131030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.131030 (E_RNA)
where:
Base-Base interactions energy: -402.422
where: short stacking energy: -159.019
Base-Backbone interact. energy: -0.627
local terms energy: -157.082069
where:
bonds (distance) C4'-P energy: -30.333
bonds (distance) P-C4' energy: -22.447
flat angles C4'-P-C4' energy: -31.743
flat angles P-C4'-P energy: -24.910
tors. eta vs tors. theta energy: -47.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -556.107499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.107499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.107499 (E_RNA)
where:
Base-Base interactions energy: -401.579
where: short stacking energy: -158.118
Base-Backbone interact. energy: -0.624
local terms energy: -153.903743
where:
bonds (distance) C4'-P energy: -27.856
bonds (distance) P-C4' energy: -26.050
flat angles C4'-P-C4' energy: -29.399
flat angles P-C4'-P energy: -23.333
tors. eta vs tors. theta energy: -47.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -540.210238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.210238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.210238 (E_RNA)
where:
Base-Base interactions energy: -390.806
where: short stacking energy: -152.569
Base-Backbone interact. energy: -0.602
local terms energy: -148.802093
where:
bonds (distance) C4'-P energy: -28.031
bonds (distance) P-C4' energy: -27.273
flat angles C4'-P-C4' energy: -25.643
flat angles P-C4'-P energy: -22.074
tors. eta vs tors. theta energy: -45.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -541.202665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.202665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.202665 (E_RNA)
where:
Base-Base interactions energy: -395.875
where: short stacking energy: -154.444
Base-Backbone interact. energy: -0.598
local terms energy: -144.729640
where:
bonds (distance) C4'-P energy: -23.401
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -30.716
flat angles P-C4'-P energy: -23.050
tors. eta vs tors. theta energy: -46.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -531.293503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.293503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.293503 (E_RNA)
where:
Base-Base interactions energy: -391.504
where: short stacking energy: -158.558
Base-Backbone interact. energy: -0.042
local terms energy: -139.747106
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -25.316
flat angles C4'-P-C4' energy: -31.995
flat angles P-C4'-P energy: -16.452
tors. eta vs tors. theta energy: -45.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -529.452198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.452198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.452198 (E_RNA)
where:
Base-Base interactions energy: -390.580
where: short stacking energy: -147.711
Base-Backbone interact. energy: -1.380
local terms energy: -137.491870
where:
bonds (distance) C4'-P energy: -25.935
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -29.162
flat angles P-C4'-P energy: -19.294
tors. eta vs tors. theta energy: -45.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -518.124590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.124590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.124590 (E_RNA)
where:
Base-Base interactions energy: -374.539
where: short stacking energy: -145.254
Base-Backbone interact. energy: -0.462
local terms energy: -143.123472
where:
bonds (distance) C4'-P energy: -23.624
bonds (distance) P-C4' energy: -22.695
flat angles C4'-P-C4' energy: -32.433
flat angles P-C4'-P energy: -21.991
tors. eta vs tors. theta energy: -42.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -511.551014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.551014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.551014 (E_RNA)
where:
Base-Base interactions energy: -370.914
where: short stacking energy: -138.532
Base-Backbone interact. energy: -0.134
local terms energy: -140.503458
where:
bonds (distance) C4'-P energy: -19.973
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -30.636
flat angles P-C4'-P energy: -21.093
tors. eta vs tors. theta energy: -45.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -392.731405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.731405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.731405 (E_RNA)
where:
Base-Base interactions energy: -269.577
where: short stacking energy: -122.052
Base-Backbone interact. energy: -0.508
local terms energy: -122.646884
where:
bonds (distance) C4'-P energy: -25.113
bonds (distance) P-C4' energy: -25.393
flat angles C4'-P-C4' energy: -24.043
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -31.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -562.733775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.733775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.733775 (E_RNA)
where:
Base-Base interactions energy: -404.458
where: short stacking energy: -160.054
Base-Backbone interact. energy: -0.758
local terms energy: -157.517749
where:
bonds (distance) C4'-P energy: -30.972
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -32.362
flat angles P-C4'-P energy: -24.566
tors. eta vs tors. theta energy: -48.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -558.214335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.214335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.214335 (E_RNA)
where:
Base-Base interactions energy: -406.263
where: short stacking energy: -159.982
Base-Backbone interact. energy: -1.235
local terms energy: -150.716926
where:
bonds (distance) C4'-P energy: -24.885
bonds (distance) P-C4' energy: -23.615
flat angles C4'-P-C4' energy: -29.860
flat angles P-C4'-P energy: -24.613
tors. eta vs tors. theta energy: -47.743
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: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -542.799566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.799566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.799566 (E_RNA)
where:
Base-Base interactions energy: -399.602
where: short stacking energy: -155.206
Base-Backbone interact. energy: -0.487
local terms energy: -142.709982
where:
bonds (distance) C4'-P energy: -21.015
bonds (distance) P-C4' energy: -26.212
flat angles C4'-P-C4' energy: -29.474
flat angles P-C4'-P energy: -19.412
tors. eta vs tors. theta energy: -46.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -546.602181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.602181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.602181 (E_RNA)
where:
Base-Base interactions energy: -397.076
where: short stacking energy: -155.756
Base-Backbone interact. energy: -1.788
local terms energy: -147.737661
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -27.342
flat angles C4'-P-C4' energy: -29.607
flat angles P-C4'-P energy: -24.565
tors. eta vs tors. theta energy: -46.416
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: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -530.704440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.704440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.704440 (E_RNA)
where:
Base-Base interactions energy: -385.026
where: short stacking energy: -145.975
Base-Backbone interact. energy: -0.108
local terms energy: -145.570002
where:
bonds (distance) C4'-P energy: -27.163
bonds (distance) P-C4' energy: -25.250
flat angles C4'-P-C4' energy: -24.783
flat angles P-C4'-P energy: -21.508
tors. eta vs tors. theta energy: -46.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -525.935419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.935419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.935419 (E_RNA)
where:
Base-Base interactions energy: -390.256
where: short stacking energy: -149.674
Base-Backbone interact. energy: 0.681
local terms energy: -136.359639
where:
bonds (distance) C4'-P energy: -27.449
bonds (distance) P-C4' energy: -17.705
flat angles C4'-P-C4' energy: -30.072
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -46.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -511.787275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.787275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.787275 (E_RNA)
where:
Base-Base interactions energy: -378.403
where: short stacking energy: -153.706
Base-Backbone interact. energy: -0.046
local terms energy: -133.338818
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -18.462
flat angles C4'-P-C4' energy: -30.522
flat angles P-C4'-P energy: -18.646
tors. eta vs tors. theta energy: -46.000
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: 8, replica: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -513.401296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.401296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.401296 (E_RNA)
where:
Base-Base interactions energy: -377.815
where: short stacking energy: -145.799
Base-Backbone interact. energy: -0.906
local terms energy: -134.679971
where:
bonds (distance) C4'-P energy: -22.732
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -28.993
flat angles P-C4'-P energy: -22.483
tors. eta vs tors. theta energy: -45.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -501.041338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.041338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.041338 (E_RNA)
where:
Base-Base interactions energy: -361.371
where: short stacking energy: -132.455
Base-Backbone interact. energy: -0.355
local terms energy: -139.315179
where:
bonds (distance) C4'-P energy: -24.787
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -28.705
flat angles P-C4'-P energy: -20.125
tors. eta vs tors. theta energy: -42.151
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: 127
Temperature: 1.350000
Total energy: -384.230244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.230244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.230244 (E_RNA)
where:
Base-Base interactions energy: -266.492
where: short stacking energy: -116.412
Base-Backbone interact. energy: -0.386
local terms energy: -117.352955
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -29.494
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: -33.455
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: 6
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -563.564361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.564361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.564361 (E_RNA)
where:
Base-Base interactions energy: -409.371
where: short stacking energy: -164.763
Base-Backbone interact. energy: -0.344
local terms energy: -153.849743
where:
bonds (distance) C4'-P energy: -25.420
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -32.622
flat angles P-C4'-P energy: -25.482
tors. eta vs tors. theta energy: -45.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -559.408401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.408401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.408401 (E_RNA)
where:
Base-Base interactions energy: -410.780
where: short stacking energy: -156.909
Base-Backbone interact. energy: -0.737
local terms energy: -147.891984
where:
bonds (distance) C4'-P energy: -25.044
bonds (distance) P-C4' energy: -23.792
flat angles C4'-P-C4' energy: -30.541
flat angles P-C4'-P energy: -21.900
tors. eta vs tors. theta energy: -46.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -560.602768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.602768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.602768 (E_RNA)
where:
Base-Base interactions energy: -407.030
where: short stacking energy: -158.555
Base-Backbone interact. energy: -1.060
local terms energy: -152.512729
where:
bonds (distance) C4'-P energy: -25.150
bonds (distance) P-C4' energy: -25.164
flat angles C4'-P-C4' energy: -33.401
flat angles P-C4'-P energy: -20.735
tors. eta vs tors. theta energy: -48.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -545.758924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.758924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.758924 (E_RNA)
where:
Base-Base interactions energy: -391.554
where: short stacking energy: -152.940
Base-Backbone interact. energy: -0.593
local terms energy: -153.612646
where:
bonds (distance) C4'-P energy: -26.981
bonds (distance) P-C4' energy: -27.240
flat angles C4'-P-C4' energy: -32.081
flat angles P-C4'-P energy: -19.855
tors. eta vs tors. theta energy: -47.456
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: 5, replica: 10
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -534.187098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.187098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.187098 (E_RNA)
where:
Base-Base interactions energy: -392.226
where: short stacking energy: -156.113
Base-Backbone interact. energy: -0.457
local terms energy: -141.504512
where:
bonds (distance) C4'-P energy: -25.914
bonds (distance) P-C4' energy: -24.521
flat angles C4'-P-C4' energy: -25.519
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: -46.248
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: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -532.006935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.006935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.006935 (E_RNA)
where:
Base-Base interactions energy: -391.198
where: short stacking energy: -153.060
Base-Backbone interact. energy: -0.001
local terms energy: -140.808295
where:
bonds (distance) C4'-P energy: -23.177
bonds (distance) P-C4' energy: -24.306
flat angles C4'-P-C4' energy: -28.540
flat angles P-C4'-P energy: -20.337
tors. eta vs tors. theta energy: -44.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -519.173625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.173625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.173625 (E_RNA)
where:
Base-Base interactions energy: -391.778
where: short stacking energy: -158.875
Base-Backbone interact. energy: -0.001
local terms energy: -127.395294
where:
bonds (distance) C4'-P energy: -19.819
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -30.281
flat angles P-C4'-P energy: -20.011
tors. eta vs tors. theta energy: -44.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -519.713095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.713095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.713095 (E_RNA)
where:
Base-Base interactions energy: -375.228
where: short stacking energy: -144.226
Base-Backbone interact. energy: -0.023
local terms energy: -144.461947
where:
bonds (distance) C4'-P energy: -19.890
bonds (distance) P-C4' energy: -27.171
flat angles C4'-P-C4' energy: -29.299
flat angles P-C4'-P energy: -20.644
tors. eta vs tors. theta energy: -47.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -502.194659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.194659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.194659 (E_RNA)
where:
Base-Base interactions energy: -363.817
where: short stacking energy: -142.501
Base-Backbone interact. energy: -1.677
local terms energy: -136.700581
where:
bonds (distance) C4'-P energy: -21.943
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -29.052
flat angles P-C4'-P energy: -21.003
tors. eta vs tors. theta energy: -46.359
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: 10, replica: 2
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -345.597313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.597313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.597313 (E_RNA)
where:
Base-Base interactions energy: -239.424
where: short stacking energy: -100.456
Base-Backbone interact. energy: 1.256
local terms energy: -107.429486
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -24.579
flat angles C4'-P-C4' energy: -22.675
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -28.642
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: 6
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -561.104870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.104870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.104870 (E_RNA)
where:
Base-Base interactions energy: -409.526
where: short stacking energy: -161.151
Base-Backbone interact. energy: -0.000
local terms energy: -151.578263
where:
bonds (distance) C4'-P energy: -29.641
bonds (distance) P-C4' energy: -25.659
flat angles C4'-P-C4' energy: -29.356
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -48.069
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: 129
Temperature: 0.950000
Total energy: -539.038826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.038826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.038826 (E_RNA)
where:
Base-Base interactions energy: -391.832
where: short stacking energy: -154.355
Base-Backbone interact. energy: -0.046
local terms energy: -147.161768
where:
bonds (distance) C4'-P energy: -27.168
bonds (distance) P-C4' energy: -25.527
flat angles C4'-P-C4' energy: -30.303
flat angles P-C4'-P energy: -19.940
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: 3, replica: 9
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -543.535734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.535734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.535734 (E_RNA)
where:
Base-Base interactions energy: -395.651
where: short stacking energy: -157.357
Base-Backbone interact. energy: -0.361
local terms energy: -147.524523
where:
bonds (distance) C4'-P energy: -23.702
bonds (distance) P-C4' energy: -21.265
flat angles C4'-P-C4' energy: -33.007
flat angles P-C4'-P energy: -22.904
tors. eta vs tors. theta energy: -46.646
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: 10
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -535.491778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.491778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.491778 (E_RNA)
where:
Base-Base interactions energy: -390.216
where: short stacking energy: -153.639
Base-Backbone interact. energy: -0.714
local terms energy: -144.561843
where:
bonds (distance) C4'-P energy: -24.884
bonds (distance) P-C4' energy: -28.690
flat angles C4'-P-C4' energy: -24.934
flat angles P-C4'-P energy: -18.428
tors. eta vs tors. theta energy: -47.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -531.664153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.664153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.664153 (E_RNA)
where:
Base-Base interactions energy: -383.087
where: short stacking energy: -147.642
Base-Backbone interact. energy: -0.018
local terms energy: -148.559148
where:
bonds (distance) C4'-P energy: -24.829
bonds (distance) P-C4' energy: -25.481
flat angles C4'-P-C4' energy: -31.125
flat angles P-C4'-P energy: -22.719
tors. eta vs tors. theta energy: -44.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -534.561515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.561515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.561515 (E_RNA)
where:
Base-Base interactions energy: -386.720
where: short stacking energy: -152.220
Base-Backbone interact. energy: -0.002
local terms energy: -147.839205
where:
bonds (distance) C4'-P energy: -26.805
bonds (distance) P-C4' energy: -26.233
flat angles C4'-P-C4' energy: -28.068
flat angles P-C4'-P energy: -20.456
tors. eta vs tors. theta energy: -46.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -520.526428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.526428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.526428 (E_RNA)
where:
Base-Base interactions energy: -386.247
where: short stacking energy: -152.052
Base-Backbone interact. energy: -0.007
local terms energy: -134.272417
where:
bonds (distance) C4'-P energy: -23.739
bonds (distance) P-C4' energy: -26.949
flat angles C4'-P-C4' energy: -23.489
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -44.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -516.700306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.700306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.700306 (E_RNA)
where:
Base-Base interactions energy: -371.012
where: short stacking energy: -145.805
Base-Backbone interact. energy: -0.023
local terms energy: -145.665292
where:
bonds (distance) C4'-P energy: -26.892
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -29.495
flat angles P-C4'-P energy: -20.580
tors. eta vs tors. theta energy: -44.675
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: 3
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -503.649279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.649279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.649279 (E_RNA)
where:
Base-Base interactions energy: -374.830
where: short stacking energy: -149.385
Base-Backbone interact. energy: -0.464
local terms energy: -128.355067
where:
bonds (distance) C4'-P energy: -21.305
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -26.888
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -46.604
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: 2
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -307.585250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.585250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.585250 (E_RNA)
where:
Base-Base interactions energy: -197.237
where: short stacking energy: -84.382
Base-Backbone interact. energy: -0.306
local terms energy: -110.042525
where:
bonds (distance) C4'-P energy: -26.145
bonds (distance) P-C4' energy: -24.006
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -17.622
tors. eta vs tors. theta energy: -22.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -559.232869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.232869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.232869 (E_RNA)
where:
Base-Base interactions energy: -406.451
where: short stacking energy: -163.328
Base-Backbone interact. energy: 0.953
local terms energy: -153.734933
where:
bonds (distance) C4'-P energy: -24.405
bonds (distance) P-C4' energy: -28.288
flat angles C4'-P-C4' energy: -28.532
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -48.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -552.589915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.589915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.589915 (E_RNA)
where:
Base-Base interactions energy: -399.414
where: short stacking energy: -150.899
Base-Backbone interact. energy: -0.001
local terms energy: -153.174728
where:
bonds (distance) C4'-P energy: -28.680
bonds (distance) P-C4' energy: -27.063
flat angles C4'-P-C4' energy: -31.597
flat angles P-C4'-P energy: -20.036
tors. eta vs tors. theta energy: -45.798
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: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -546.221010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.221010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.221010 (E_RNA)
where:
Base-Base interactions energy: -401.653
where: short stacking energy: -154.556
Base-Backbone interact. energy: -1.316
local terms energy: -143.251871
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -25.715
flat angles C4'-P-C4' energy: -25.482
flat angles P-C4'-P energy: -24.873
tors. eta vs tors. theta energy: -45.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -548.793867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.793867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.793867 (E_RNA)
where:
Base-Base interactions energy: -395.796
where: short stacking energy: -153.451
Base-Backbone interact. energy: -0.526
local terms energy: -152.471654
where:
bonds (distance) C4'-P energy: -23.983
bonds (distance) P-C4' energy: -29.354
flat angles C4'-P-C4' energy: -30.327
flat angles P-C4'-P energy: -20.654
tors. eta vs tors. theta energy: -48.153
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: 130
Temperature: 1.100000
Total energy: -526.860395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.860395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.860395 (E_RNA)
where:
Base-Base interactions energy: -392.165
where: short stacking energy: -148.613
Base-Backbone interact. energy: -0.905
local terms energy: -133.790600
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -25.563
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -22.588
tors. eta vs tors. theta energy: -42.988
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: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -530.403777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.403777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.403777 (E_RNA)
where:
Base-Base interactions energy: -385.314
where: short stacking energy: -150.217
Base-Backbone interact. energy: -0.004
local terms energy: -145.085895
where:
bonds (distance) C4'-P energy: -25.318
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -29.625
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -46.067
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: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -529.106356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.106356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.106356 (E_RNA)
where:
Base-Base interactions energy: -388.546
where: short stacking energy: -152.679
Base-Backbone interact. energy: -0.639
local terms energy: -139.921253
where:
bonds (distance) C4'-P energy: -23.067
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -28.541
flat angles P-C4'-P energy: -25.732
tors. eta vs tors. theta energy: -47.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -512.139041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.139041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.139041 (E_RNA)
where:
Base-Base interactions energy: -376.141
where: short stacking energy: -143.341
Base-Backbone interact. energy: -0.032
local terms energy: -135.966529
where:
bonds (distance) C4'-P energy: -22.752
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -27.499
flat angles P-C4'-P energy: -22.398
tors. eta vs tors. theta energy: -43.601
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: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -502.447352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.447352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.447352 (E_RNA)
where:
Base-Base interactions energy: -370.071
where: short stacking energy: -143.242
Base-Backbone interact. energy: -0.006
local terms energy: -132.370128
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -27.519
flat angles C4'-P-C4' energy: -27.202
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -42.881
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: 2
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -317.484445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.484445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.484445 (E_RNA)
where:
Base-Base interactions energy: -214.598
where: short stacking energy: -89.602
Base-Backbone interact. energy: -1.275
local terms energy: -101.611444
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -21.232
flat angles C4'-P-C4' energy: -22.189
flat angles P-C4'-P energy: -17.743
tors. eta vs tors. theta energy: -22.792
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: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -557.188198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.188198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.188198 (E_RNA)
where:
Base-Base interactions energy: -409.868
where: short stacking energy: -158.767
Base-Backbone interact. energy: -0.242
local terms energy: -147.078269
where:
bonds (distance) C4'-P energy: -24.719
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -27.497
flat angles P-C4'-P energy: -24.328
tors. eta vs tors. theta energy: -47.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -558.603874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.603874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.603874 (E_RNA)
where:
Base-Base interactions energy: -397.126
where: short stacking energy: -152.631
Base-Backbone interact. energy: -0.569
local terms energy: -160.908526
where:
bonds (distance) C4'-P energy: -27.956
bonds (distance) P-C4' energy: -30.842
flat angles C4'-P-C4' energy: -30.914
flat angles P-C4'-P energy: -26.342
tors. eta vs tors. theta energy: -44.854
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: 3, replica: 6
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -552.934438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.934438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.934438 (E_RNA)
where:
Base-Base interactions energy: -397.552
where: short stacking energy: -154.707
Base-Backbone interact. energy: -0.665
local terms energy: -154.716943
where:
bonds (distance) C4'-P energy: -26.425
bonds (distance) P-C4' energy: -28.591
flat angles C4'-P-C4' energy: -30.425
flat angles P-C4'-P energy: -22.927
tors. eta vs tors. theta energy: -46.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -541.985899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.985899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.985899 (E_RNA)
where:
Base-Base interactions energy: -400.836
where: short stacking energy: -157.926
Base-Backbone interact. energy: -0.294
local terms energy: -140.855155
where:
bonds (distance) C4'-P energy: -25.711
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -32.944
flat angles P-C4'-P energy: -22.214
tors. eta vs tors. theta energy: -45.938
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: 131
Temperature: 1.100000
Total energy: -543.061170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.061170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.061170 (E_RNA)
where:
Base-Base interactions energy: -393.560
where: short stacking energy: -157.624
Base-Backbone interact. energy: -0.352
local terms energy: -149.148721
where:
bonds (distance) C4'-P energy: -23.127
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -32.069
flat angles P-C4'-P energy: -24.856
tors. eta vs tors. theta energy: -48.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -526.006192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.006192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.006192 (E_RNA)
where:
Base-Base interactions energy: -388.794
where: short stacking energy: -146.290
Base-Backbone interact. energy: -0.656
local terms energy: -136.556224
where:
bonds (distance) C4'-P energy: -18.829
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -26.901
flat angles P-C4'-P energy: -22.704
tors. eta vs tors. theta energy: -46.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -523.841584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.841584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.841584 (E_RNA)
where:
Base-Base interactions energy: -375.169
where: short stacking energy: -143.070
Base-Backbone interact. energy: -0.200
local terms energy: -148.471875
where:
bonds (distance) C4'-P energy: -23.571
bonds (distance) P-C4' energy: -30.274
flat angles C4'-P-C4' energy: -25.146
flat angles P-C4'-P energy: -22.206
tors. eta vs tors. theta energy: -47.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -519.615698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.615698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.615698 (E_RNA)
where:
Base-Base interactions energy: -379.376
where: short stacking energy: -151.207
Base-Backbone interact. energy: -1.599
local terms energy: -138.641346
where:
bonds (distance) C4'-P energy: -18.357
bonds (distance) P-C4' energy: -24.017
flat angles C4'-P-C4' energy: -26.253
flat angles P-C4'-P energy: -23.702
tors. eta vs tors. theta energy: -46.312
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: 3
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -491.907869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.907869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.907869 (E_RNA)
where:
Base-Base interactions energy: -355.239
where: short stacking energy: -140.480
Base-Backbone interact. energy: -0.002
local terms energy: -136.667232
where:
bonds (distance) C4'-P energy: -20.621
bonds (distance) P-C4' energy: -25.200
flat angles C4'-P-C4' energy: -28.853
flat angles P-C4'-P energy: -17.738
tors. eta vs tors. theta energy: -44.255
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: 10, replica: 2
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -308.807091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.807091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.807091 (E_RNA)
where:
Base-Base interactions energy: -210.193
where: short stacking energy: -85.184
Base-Backbone interact. energy: -0.381
local terms energy: -98.232346
where:
bonds (distance) C4'-P energy: -23.973
bonds (distance) P-C4' energy: -23.406
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -23.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -564.675149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.675149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.675149 (E_RNA)
where:
Base-Base interactions energy: -407.515
where: short stacking energy: -157.207
Base-Backbone interact. energy: -1.229
local terms energy: -155.930399
where:
bonds (distance) C4'-P energy: -26.030
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -30.510
flat angles P-C4'-P energy: -25.741
tors. eta vs tors. theta energy: -46.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -552.385110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.385110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.385110 (E_RNA)
where:
Base-Base interactions energy: -398.184
where: short stacking energy: -155.475
Base-Backbone interact. energy: -0.693
local terms energy: -153.508561
where:
bonds (distance) C4'-P energy: -27.007
bonds (distance) P-C4' energy: -29.284
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -22.425
tors. eta vs tors. theta energy: -47.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -562.342367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.342367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.342367 (E_RNA)
where:
Base-Base interactions energy: -403.905
where: short stacking energy: -156.357
Base-Backbone interact. energy: -0.658
local terms energy: -157.779951
where:
bonds (distance) C4'-P energy: -27.301
bonds (distance) P-C4' energy: -29.124
flat angles C4'-P-C4' energy: -33.331
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: -49.017
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: 6
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -539.501890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.501890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.501890 (E_RNA)
where:
Base-Base interactions energy: -394.013
where: short stacking energy: -153.511
Base-Backbone interact. energy: -2.486
local terms energy: -143.003157
where:
bonds (distance) C4'-P energy: -24.932
bonds (distance) P-C4' energy: -29.213
flat angles C4'-P-C4' energy: -26.752
flat angles P-C4'-P energy: -18.392
tors. eta vs tors. theta energy: -43.714
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: 7
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -533.845972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.845972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.845972 (E_RNA)
where:
Base-Base interactions energy: -390.485
where: short stacking energy: -154.140
Base-Backbone interact. energy: -0.123
local terms energy: -143.238515
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -31.835
flat angles P-C4'-P energy: -20.780
tors. eta vs tors. theta energy: -48.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -527.727612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.727612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.727612 (E_RNA)
where:
Base-Base interactions energy: -389.138
where: short stacking energy: -150.657
Base-Backbone interact. energy: 0.010
local terms energy: -138.599305
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -25.712
flat angles C4'-P-C4' energy: -28.785
flat angles P-C4'-P energy: -21.790
tors. eta vs tors. theta energy: -42.578
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: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -515.807863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.807863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.807863 (E_RNA)
where:
Base-Base interactions energy: -378.182
where: short stacking energy: -140.361
Base-Backbone interact. energy: -0.318
local terms energy: -137.308147
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -29.925
flat angles P-C4'-P energy: -22.481
tors. eta vs tors. theta energy: -44.647
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: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -514.201294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.201294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.201294 (E_RNA)
where:
Base-Base interactions energy: -370.338
where: short stacking energy: -142.016
Base-Backbone interact. energy: -0.424
local terms energy: -143.438731
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -26.581
flat angles C4'-P-C4' energy: -23.566
flat angles P-C4'-P energy: -22.616
tors. eta vs tors. theta energy: -48.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -503.112303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.112303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.112303 (E_RNA)
where:
Base-Base interactions energy: -366.624
where: short stacking energy: -143.420
Base-Backbone interact. energy: -0.581
local terms energy: -135.906686
where:
bonds (distance) C4'-P energy: -25.717
bonds (distance) P-C4' energy: -25.367
flat angles C4'-P-C4' energy: -29.281
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -41.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -310.649505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.649505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.649505 (E_RNA)
where:
Base-Base interactions energy: -203.566
where: short stacking energy: -81.031
Base-Backbone interact. energy: -1.020
local terms energy: -106.063745
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -25.272
flat angles C4'-P-C4' energy: -29.554
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -563.955778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.955778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.955778 (E_RNA)
where:
Base-Base interactions energy: -406.764
where: short stacking energy: -160.519
Base-Backbone interact. energy: -0.843
local terms energy: -156.349002
where:
bonds (distance) C4'-P energy: -30.691
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -32.866
flat angles P-C4'-P energy: -23.897
tors. eta vs tors. theta energy: -46.395
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: 9
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -556.334544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.334544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.334544 (E_RNA)
where:
Base-Base interactions energy: -400.607
where: short stacking energy: -151.950
Base-Backbone interact. energy: -0.502
local terms energy: -155.225180
where:
bonds (distance) C4'-P energy: -22.818
bonds (distance) P-C4' energy: -30.583
flat angles C4'-P-C4' energy: -29.499
flat angles P-C4'-P energy: -25.612
tors. eta vs tors. theta energy: -46.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -553.729295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.729295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.729295 (E_RNA)
where:
Base-Base interactions energy: -405.443
where: short stacking energy: -160.669
Base-Backbone interact. energy: -0.619
local terms energy: -147.667323
where:
bonds (distance) C4'-P energy: -26.598
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -28.628
flat angles P-C4'-P energy: -24.440
tors. eta vs tors. theta energy: -46.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -544.453080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.453080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.453080 (E_RNA)
where:
Base-Base interactions energy: -404.841
where: short stacking energy: -156.529
Base-Backbone interact. energy: -1.580
local terms energy: -138.031108
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -28.914
flat angles P-C4'-P energy: -19.871
tors. eta vs tors. theta energy: -45.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -543.164333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.164333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.164333 (E_RNA)
where:
Base-Base interactions energy: -396.683
where: short stacking energy: -157.997
Base-Backbone interact. energy: -0.425
local terms energy: -146.055676
where:
bonds (distance) C4'-P energy: -22.722
bonds (distance) P-C4' energy: -23.147
flat angles C4'-P-C4' energy: -32.472
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -46.720
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: 8
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -534.332547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.332547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.332547 (E_RNA)
where:
Base-Base interactions energy: -384.406
where: short stacking energy: -150.103
Base-Backbone interact. energy: -0.249
local terms energy: -149.676985
where:
bonds (distance) C4'-P energy: -25.468
bonds (distance) P-C4' energy: -26.910
flat angles C4'-P-C4' energy: -29.794
flat angles P-C4'-P energy: -22.831
tors. eta vs tors. theta energy: -44.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -509.865396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.865396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.865396 (E_RNA)
where:
Base-Base interactions energy: -376.201
where: short stacking energy: -149.451
Base-Backbone interact. energy: -0.204
local terms energy: -133.461074
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -22.725
flat angles C4'-P-C4' energy: -25.143
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -44.227
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: 8, replica: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -504.530422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.530422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.530422 (E_RNA)
where:
Base-Base interactions energy: -367.715
where: short stacking energy: -141.964
Base-Backbone interact. energy: 1.389
local terms energy: -138.204072
where:
bonds (distance) C4'-P energy: -21.932
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -27.647
flat angles P-C4'-P energy: -20.224
tors. eta vs tors. theta energy: -46.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -500.859492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.859492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.859492 (E_RNA)
where:
Base-Base interactions energy: -371.927
where: short stacking energy: -144.801
Base-Backbone interact. energy: -0.631
local terms energy: -128.302248
where:
bonds (distance) C4'-P energy: -27.991
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -19.760
flat angles P-C4'-P energy: -18.203
tors. eta vs tors. theta energy: -42.863
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: 2
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -310.302479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.302479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.302479 (E_RNA)
where:
Base-Base interactions energy: -214.196
where: short stacking energy: -71.111
Base-Backbone interact. energy: 0.517
local terms energy: -96.623488
where:
bonds (distance) C4'-P energy: -24.024
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -23.629
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -14.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -563.107116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.107116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.107116 (E_RNA)
where:
Base-Base interactions energy: -404.964
where: short stacking energy: -157.462
Base-Backbone interact. energy: -0.283
local terms energy: -157.860329
where:
bonds (distance) C4'-P energy: -29.320
bonds (distance) P-C4' energy: -29.024
flat angles C4'-P-C4' energy: -29.775
flat angles P-C4'-P energy: -22.594
tors. eta vs tors. theta energy: -47.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -557.497022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.497022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.497022 (E_RNA)
where:
Base-Base interactions energy: -408.698
where: short stacking energy: -160.291
Base-Backbone interact. energy: -0.113
local terms energy: -148.686671
where:
bonds (distance) C4'-P energy: -25.442
bonds (distance) P-C4' energy: -29.389
flat angles C4'-P-C4' energy: -30.651
flat angles P-C4'-P energy: -18.330
tors. eta vs tors. theta energy: -44.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -551.210348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.210348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.210348 (E_RNA)
where:
Base-Base interactions energy: -397.046
where: short stacking energy: -158.093
Base-Backbone interact. energy: -1.310
local terms energy: -152.853742
where:
bonds (distance) C4'-P energy: -26.705
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -33.661
flat angles P-C4'-P energy: -22.610
tors. eta vs tors. theta energy: -46.600
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: 1
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -546.580692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.580692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.580692 (E_RNA)
where:
Base-Base interactions energy: -386.423
where: short stacking energy: -151.149
Base-Backbone interact. energy: -0.164
local terms energy: -159.994436
where:
bonds (distance) C4'-P energy: -26.478
bonds (distance) P-C4' energy: -28.801
flat angles C4'-P-C4' energy: -33.540
flat angles P-C4'-P energy: -25.125
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: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -544.018530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.018530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.018530 (E_RNA)
where:
Base-Base interactions energy: -395.913
where: short stacking energy: -154.525
Base-Backbone interact. energy: -0.123
local terms energy: -147.982278
where:
bonds (distance) C4'-P energy: -31.993
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -27.148
flat angles P-C4'-P energy: -20.706
tors. eta vs tors. theta energy: -47.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -525.503642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.503642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.503642 (E_RNA)
where:
Base-Base interactions energy: -373.824
where: short stacking energy: -146.584
Base-Backbone interact. energy: -0.736
local terms energy: -150.943355
where:
bonds (distance) C4'-P energy: -25.469
bonds (distance) P-C4' energy: -29.803
flat angles C4'-P-C4' energy: -29.511
flat angles P-C4'-P energy: -21.310
tors. eta vs tors. theta energy: -44.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -528.320681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.320681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.320681 (E_RNA)
where:
Base-Base interactions energy: -390.862
where: short stacking energy: -148.763
Base-Backbone interact. energy: -0.075
local terms energy: -137.383146
where:
bonds (distance) C4'-P energy: -21.981
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -29.203
flat angles P-C4'-P energy: -17.750
tors. eta vs tors. theta energy: -48.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -515.681600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.681600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.681600 (E_RNA)
where:
Base-Base interactions energy: -369.341
where: short stacking energy: -149.946
Base-Backbone interact. energy: 1.174
local terms energy: -147.515053
where:
bonds (distance) C4'-P energy: -25.504
bonds (distance) P-C4' energy: -28.481
flat angles C4'-P-C4' energy: -29.723
flat angles P-C4'-P energy: -21.533
tors. eta vs tors. theta energy: -42.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -498.369106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.369106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.369106 (E_RNA)
where:
Base-Base interactions energy: -358.799
where: short stacking energy: -143.079
Base-Backbone interact. energy: -0.177
local terms energy: -139.393921
where:
bonds (distance) C4'-P energy: -18.113
bonds (distance) P-C4' energy: -26.721
flat angles C4'-P-C4' energy: -28.388
flat angles P-C4'-P energy: -21.144
tors. eta vs tors. theta energy: -45.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -364.766380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.766380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.766380 (E_RNA)
where:
Base-Base interactions energy: -257.140
where: short stacking energy: -110.360
Base-Backbone interact. energy: -0.049
local terms energy: -107.577249
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -23.784
flat angles C4'-P-C4' energy: -25.954
flat angles P-C4'-P energy: -17.204
tors. eta vs tors. theta energy: -25.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -570.268970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.268970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.268970 (E_RNA)
where:
Base-Base interactions energy: -416.042
where: short stacking energy: -163.371
Base-Backbone interact. energy: -0.001
local terms energy: -154.225528
where:
bonds (distance) C4'-P energy: -23.910
bonds (distance) P-C4' energy: -26.813
flat angles C4'-P-C4' energy: -30.978
flat angles P-C4'-P energy: -25.328
tors. eta vs tors. theta energy: -47.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -559.194796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.194796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.194796 (E_RNA)
where:
Base-Base interactions energy: -402.476
where: short stacking energy: -154.339
Base-Backbone interact. energy: -1.529
local terms energy: -155.189832
where:
bonds (distance) C4'-P energy: -26.498
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -32.932
flat angles P-C4'-P energy: -25.186
tors. eta vs tors. theta energy: -46.229
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: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -549.568290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.568290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.568290 (E_RNA)
where:
Base-Base interactions energy: -393.408
where: short stacking energy: -153.271
Base-Backbone interact. energy: -1.542
local terms energy: -154.618634
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -27.587
flat angles C4'-P-C4' energy: -31.012
flat angles P-C4'-P energy: -26.369
tors. eta vs tors. theta energy: -46.324
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: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -538.437816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.437816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.437816 (E_RNA)
where:
Base-Base interactions energy: -389.637
where: short stacking energy: -149.423
Base-Backbone interact. energy: -0.002
local terms energy: -148.798461
where:
bonds (distance) C4'-P energy: -23.220
bonds (distance) P-C4' energy: -27.145
flat angles C4'-P-C4' energy: -33.600
flat angles P-C4'-P energy: -19.804
tors. eta vs tors. theta energy: -45.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -536.191581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.191581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.191581 (E_RNA)
where:
Base-Base interactions energy: -378.416
where: short stacking energy: -149.530
Base-Backbone interact. energy: -2.020
local terms energy: -155.756018
where:
bonds (distance) C4'-P energy: -22.179
bonds (distance) P-C4' energy: -33.191
flat angles C4'-P-C4' energy: -26.942
flat angles P-C4'-P energy: -26.920
tors. eta vs tors. theta energy: -46.523
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: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -529.808852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.808852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.808852 (E_RNA)
where:
Base-Base interactions energy: -390.635
where: short stacking energy: -156.536
Base-Backbone interact. energy: -1.251
local terms energy: -137.923087
where:
bonds (distance) C4'-P energy: -24.411
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -29.209
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -47.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -524.436752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.436752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.436752 (E_RNA)
where:
Base-Base interactions energy: -391.941
where: short stacking energy: -149.021
Base-Backbone interact. energy: -0.604
local terms energy: -131.892093
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -29.836
flat angles C4'-P-C4' energy: -24.321
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -45.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -517.508034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.508034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.508034 (E_RNA)
where:
Base-Base interactions energy: -368.551
where: short stacking energy: -138.937
Base-Backbone interact. energy: 1.942
local terms energy: -150.898518
where:
bonds (distance) C4'-P energy: -24.610
bonds (distance) P-C4' energy: -26.712
flat angles C4'-P-C4' energy: -30.817
flat angles P-C4'-P energy: -23.093
tors. eta vs tors. theta energy: -45.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -517.199034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.199034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.199034 (E_RNA)
where:
Base-Base interactions energy: -372.142
where: short stacking energy: -150.689
Base-Backbone interact. energy: -0.020
local terms energy: -145.037005
where:
bonds (distance) C4'-P energy: -26.515
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -30.583
flat angles P-C4'-P energy: -20.218
tors. eta vs tors. theta energy: -46.519
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: 135
Temperature: 1.350000
Total energy: -383.943821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.943821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.943821 (E_RNA)
where:
Base-Base interactions energy: -277.461
where: short stacking energy: -105.271
Base-Backbone interact. energy: -0.578
local terms energy: -105.904515
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -29.251
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -25.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -562.679440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.679440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.679440 (E_RNA)
where:
Base-Base interactions energy: -406.115
where: short stacking energy: -159.245
Base-Backbone interact. energy: -0.192
local terms energy: -156.372252
where:
bonds (distance) C4'-P energy: -28.738
bonds (distance) P-C4' energy: -27.916
flat angles C4'-P-C4' energy: -26.426
flat angles P-C4'-P energy: -25.685
tors. eta vs tors. theta energy: -47.608
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: 2, replica: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -555.593909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.593909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.593909 (E_RNA)
where:
Base-Base interactions energy: -397.395
where: short stacking energy: -155.878
Base-Backbone interact. energy: -0.003
local terms energy: -158.195360
where:
bonds (distance) C4'-P energy: -25.717
bonds (distance) P-C4' energy: -28.628
flat angles C4'-P-C4' energy: -30.590
flat angles P-C4'-P energy: -25.481
tors. eta vs tors. theta energy: -47.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -560.366014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.366014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.366014 (E_RNA)
where:
Base-Base interactions energy: -407.701
where: short stacking energy: -159.811
Base-Backbone interact. energy: -0.306
local terms energy: -152.359082
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -31.340
flat angles C4'-P-C4' energy: -30.968
flat angles P-C4'-P energy: -21.735
tors. eta vs tors. theta energy: -47.140
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: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -541.665688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.665688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.665688 (E_RNA)
where:
Base-Base interactions energy: -401.555
where: short stacking energy: -153.891
Base-Backbone interact. energy: -1.479
local terms energy: -138.631660
where:
bonds (distance) C4'-P energy: -23.581
bonds (distance) P-C4' energy: -18.618
flat angles C4'-P-C4' energy: -29.206
flat angles P-C4'-P energy: -20.961
tors. eta vs tors. theta energy: -46.266
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: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -549.391724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.391724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.391724 (E_RNA)
where:
Base-Base interactions energy: -390.544
where: short stacking energy: -152.411
Base-Backbone interact. energy: -0.027
local terms energy: -158.820570
where:
bonds (distance) C4'-P energy: -29.765
bonds (distance) P-C4' energy: -29.372
flat angles C4'-P-C4' energy: -29.559
flat angles P-C4'-P energy: -24.563
tors. eta vs tors. theta energy: -45.562
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: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -528.575272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.575272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.575272 (E_RNA)
where:
Base-Base interactions energy: -380.570
where: short stacking energy: -148.308
Base-Backbone interact. energy: -0.100
local terms energy: -147.905231
where:
bonds (distance) C4'-P energy: -25.583
bonds (distance) P-C4' energy: -26.689
flat angles C4'-P-C4' energy: -27.821
flat angles P-C4'-P energy: -23.998
tors. eta vs tors. theta energy: -43.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -522.912485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.912485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.912485 (E_RNA)
where:
Base-Base interactions energy: -376.685
where: short stacking energy: -142.379
Base-Backbone interact. energy: -0.052
local terms energy: -146.175458
where:
bonds (distance) C4'-P energy: -27.244
bonds (distance) P-C4' energy: -28.663
flat angles C4'-P-C4' energy: -26.170
flat angles P-C4'-P energy: -19.729
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: 8, replica: 8
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -516.321438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.321438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.321438 (E_RNA)
where:
Base-Base interactions energy: -372.745
where: short stacking energy: -144.444
Base-Backbone interact. energy: -1.428
local terms energy: -142.148603
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -31.100
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: -45.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -509.585822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.585822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.585822 (E_RNA)
where:
Base-Base interactions energy: -373.557
where: short stacking energy: -138.129
Base-Backbone interact. energy: -0.875
local terms energy: -135.154360
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -28.720
flat angles P-C4'-P energy: -19.718
tors. eta vs tors. theta energy: -45.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -379.638096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.638096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.638096 (E_RNA)
where:
Base-Base interactions energy: -262.262
where: short stacking energy: -101.018
Base-Backbone interact. energy: -0.126
local terms energy: -117.250008
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -31.528
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -21.131
tors. eta vs tors. theta energy: -27.492
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: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -561.269281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.269281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.269281 (E_RNA)
where:
Base-Base interactions energy: -410.461
where: short stacking energy: -160.326
Base-Backbone interact. energy: -0.003
local terms energy: -150.805615
where:
bonds (distance) C4'-P energy: -22.795
bonds (distance) P-C4' energy: -25.741
flat angles C4'-P-C4' energy: -28.886
flat angles P-C4'-P energy: -24.395
tors. eta vs tors. theta energy: -48.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -560.957237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.957237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.957237 (E_RNA)
where:
Base-Base interactions energy: -405.939
where: short stacking energy: -161.348
Base-Backbone interact. energy: -1.138
local terms energy: -153.879877
where:
bonds (distance) C4'-P energy: -24.669
bonds (distance) P-C4' energy: -25.813
flat angles C4'-P-C4' energy: -31.812
flat angles P-C4'-P energy: -24.485
tors. eta vs tors. theta energy: -47.101
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: 1
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -554.259949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.259949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.259949 (E_RNA)
where:
Base-Base interactions energy: -404.144
where: short stacking energy: -155.948
Base-Backbone interact. energy: -1.018
local terms energy: -149.098420
where:
bonds (distance) C4'-P energy: -30.008
bonds (distance) P-C4' energy: -29.825
flat angles C4'-P-C4' energy: -26.854
flat angles P-C4'-P energy: -19.670
tors. eta vs tors. theta energy: -42.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -542.456081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.456081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.456081 (E_RNA)
where:
Base-Base interactions energy: -403.868
where: short stacking energy: -156.733
Base-Backbone interact. energy: -0.173
local terms energy: -138.415154
where:
bonds (distance) C4'-P energy: -24.896
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -26.292
flat angles P-C4'-P energy: -19.112
tors. eta vs tors. theta energy: -46.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -536.624808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.624808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.624808 (E_RNA)
where:
Base-Base interactions energy: -389.565
where: short stacking energy: -151.429
Base-Backbone interact. energy: 0.488
local terms energy: -147.547687
where:
bonds (distance) C4'-P energy: -24.007
bonds (distance) P-C4' energy: -21.903
flat angles C4'-P-C4' energy: -33.509
flat angles P-C4'-P energy: -23.917
tors. eta vs tors. theta energy: -44.213
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: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -531.981561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.981561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.981561 (E_RNA)
where:
Base-Base interactions energy: -387.840
where: short stacking energy: -149.096
Base-Backbone interact. energy: -0.222
local terms energy: -143.920075
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -27.974
flat angles C4'-P-C4' energy: -32.832
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -43.647
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: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -533.182642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.182642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.182642 (E_RNA)
where:
Base-Base interactions energy: -385.460
where: short stacking energy: -145.496
Base-Backbone interact. energy: -0.421
local terms energy: -147.302281
where:
bonds (distance) C4'-P energy: -26.663
bonds (distance) P-C4' energy: -24.249
flat angles C4'-P-C4' energy: -32.492
flat angles P-C4'-P energy: -21.758
tors. eta vs tors. theta energy: -42.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -496.379003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.379003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.379003 (E_RNA)
where:
Base-Base interactions energy: -358.387
where: short stacking energy: -138.021
Base-Backbone interact. energy: -0.287
local terms energy: -137.704781
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -26.634
flat angles C4'-P-C4' energy: -28.480
flat angles P-C4'-P energy: -18.909
tors. eta vs tors. theta energy: -40.809
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: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -491.124546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.124546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.124546 (E_RNA)
where:
Base-Base interactions energy: -355.593
where: short stacking energy: -136.796
Base-Backbone interact. energy: 1.082
local terms energy: -136.613561
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -28.908
flat angles P-C4'-P energy: -21.953
tors. eta vs tors. theta energy: -42.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -416.240965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.240965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.240965 (E_RNA)
where:
Base-Base interactions energy: -303.748
where: short stacking energy: -119.343
Base-Backbone interact. energy: -0.600
local terms energy: -111.892477
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -24.711
flat angles C4'-P-C4' energy: -20.880
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -35.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -561.728150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.728150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.728150 (E_RNA)
where:
Base-Base interactions energy: -404.797
where: short stacking energy: -159.242
Base-Backbone interact. energy: -0.892
local terms energy: -156.038787
where:
bonds (distance) C4'-P energy: -29.185
bonds (distance) P-C4' energy: -28.044
flat angles C4'-P-C4' energy: -31.387
flat angles P-C4'-P energy: -24.786
tors. eta vs tors. theta energy: -42.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -554.456650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.456650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.456650 (E_RNA)
where:
Base-Base interactions energy: -404.659
where: short stacking energy: -153.726
Base-Backbone interact. energy: -0.000
local terms energy: -149.797647
where:
bonds (distance) C4'-P energy: -26.722
bonds (distance) P-C4' energy: -22.642
flat angles C4'-P-C4' energy: -28.392
flat angles P-C4'-P energy: -23.638
tors. eta vs tors. theta energy: -48.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -544.886783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.886783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.886783 (E_RNA)
where:
Base-Base interactions energy: -398.765
where: short stacking energy: -156.368
Base-Backbone interact. energy: -0.529
local terms energy: -145.592913
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -23.459
flat angles C4'-P-C4' energy: -32.359
flat angles P-C4'-P energy: -26.179
tors. eta vs tors. theta energy: -43.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -536.961850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.961850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.961850 (E_RNA)
where:
Base-Base interactions energy: -389.785
where: short stacking energy: -152.256
Base-Backbone interact. energy: 0.656
local terms energy: -147.832844
where:
bonds (distance) C4'-P energy: -24.905
bonds (distance) P-C4' energy: -31.742
flat angles C4'-P-C4' energy: -27.042
flat angles P-C4'-P energy: -20.200
tors. eta vs tors. theta energy: -43.944
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: 10
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -536.232056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.232056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.232056 (E_RNA)
where:
Base-Base interactions energy: -392.236
where: short stacking energy: -153.013
Base-Backbone interact. energy: -0.237
local terms energy: -143.759493
where:
bonds (distance) C4'-P energy: -25.008
bonds (distance) P-C4' energy: -22.868
flat angles C4'-P-C4' energy: -27.636
flat angles P-C4'-P energy: -22.040
tors. eta vs tors. theta energy: -46.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -535.876439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.876439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.876439 (E_RNA)
where:
Base-Base interactions energy: -381.989
where: short stacking energy: -148.235
Base-Backbone interact. energy: -0.796
local terms energy: -153.091740
where:
bonds (distance) C4'-P energy: -30.540
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -31.401
flat angles P-C4'-P energy: -24.748
tors. eta vs tors. theta energy: -45.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -522.311815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.311815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.311815 (E_RNA)
where:
Base-Base interactions energy: -380.031
where: short stacking energy: -147.425
Base-Backbone interact. energy: -0.885
local terms energy: -141.395558
where:
bonds (distance) C4'-P energy: -27.239
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -31.993
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -43.733
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: 8, replica: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -514.224340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.224340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.224340 (E_RNA)
where:
Base-Base interactions energy: -378.637
where: short stacking energy: -146.803
Base-Backbone interact. energy: -0.005
local terms energy: -135.581431
where:
bonds (distance) C4'-P energy: -20.858
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -29.056
flat angles P-C4'-P energy: -21.788
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: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -492.326213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.326213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.326213 (E_RNA)
where:
Base-Base interactions energy: -363.464
where: short stacking energy: -135.311
Base-Backbone interact. energy: -0.234
local terms energy: -128.629010
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -28.610
flat angles C4'-P-C4' energy: -25.116
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -38.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -427.358764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.358764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.358764 (E_RNA)
where:
Base-Base interactions energy: -304.393
where: short stacking energy: -122.020
Base-Backbone interact. energy: -1.174
local terms energy: -121.792075
where:
bonds (distance) C4'-P energy: -20.549
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -24.645
flat angles P-C4'-P energy: -14.278
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: 1, replica: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -561.035235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.035235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.035235 (E_RNA)
where:
Base-Base interactions energy: -402.416
where: short stacking energy: -156.013
Base-Backbone interact. energy: -0.253
local terms energy: -158.366722
where:
bonds (distance) C4'-P energy: -25.841
bonds (distance) P-C4' energy: -28.242
flat angles C4'-P-C4' energy: -34.939
flat angles P-C4'-P energy: -22.319
tors. eta vs tors. theta energy: -47.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -552.338786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.338786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.338786 (E_RNA)
where:
Base-Base interactions energy: -393.312
where: short stacking energy: -148.666
Base-Backbone interact. energy: -0.055
local terms energy: -158.971356
where:
bonds (distance) C4'-P energy: -29.114
bonds (distance) P-C4' energy: -29.052
flat angles C4'-P-C4' energy: -29.573
flat angles P-C4'-P energy: -23.882
tors. eta vs tors. theta energy: -47.350
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: 9
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -557.385561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.385561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.385561 (E_RNA)
where:
Base-Base interactions energy: -395.747
where: short stacking energy: -152.500
Base-Backbone interact. energy: -0.754
local terms energy: -160.884547
where:
bonds (distance) C4'-P energy: -29.929
bonds (distance) P-C4' energy: -31.523
flat angles C4'-P-C4' energy: -30.795
flat angles P-C4'-P energy: -22.697
tors. eta vs tors. theta energy: -45.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -537.308423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.308423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.308423 (E_RNA)
where:
Base-Base interactions energy: -390.857
where: short stacking energy: -159.308
Base-Backbone interact. energy: -0.942
local terms energy: -145.509422
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -21.407
flat angles C4'-P-C4' energy: -28.788
flat angles P-C4'-P energy: -19.693
tors. eta vs tors. theta energy: -45.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -537.558792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.558792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.558792 (E_RNA)
where:
Base-Base interactions energy: -391.285
where: short stacking energy: -152.654
Base-Backbone interact. energy: -0.001
local terms energy: -146.272815
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -30.795
flat angles C4'-P-C4' energy: -32.707
flat angles P-C4'-P energy: -16.413
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: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -523.198826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.198826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.198826 (E_RNA)
where:
Base-Base interactions energy: -384.028
where: short stacking energy: -149.722
Base-Backbone interact. energy: -0.435
local terms energy: -138.735304
where:
bonds (distance) C4'-P energy: -21.268
bonds (distance) P-C4' energy: -25.145
flat angles C4'-P-C4' energy: -25.950
flat angles P-C4'-P energy: -19.846
tors. eta vs tors. theta energy: -46.525
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: 4
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -515.000659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.000659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.000659 (E_RNA)
where:
Base-Base interactions energy: -379.592
where: short stacking energy: -144.844
Base-Backbone interact. energy: -0.258
local terms energy: -135.150286
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -28.971
flat angles C4'-P-C4' energy: -22.281
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -41.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -521.824425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.824425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.824425 (E_RNA)
where:
Base-Base interactions energy: -379.136
where: short stacking energy: -148.513
Base-Backbone interact. energy: -0.170
local terms energy: -142.518033
where:
bonds (distance) C4'-P energy: -26.195
bonds (distance) P-C4' energy: -20.493
flat angles C4'-P-C4' energy: -32.317
flat angles P-C4'-P energy: -18.384
tors. eta vs tors. theta energy: -45.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -500.650679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.650679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.650679 (E_RNA)
where:
Base-Base interactions energy: -357.931
where: short stacking energy: -136.072
Base-Backbone interact. energy: -0.126
local terms energy: -142.593674
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -28.341
flat angles C4'-P-C4' energy: -32.569
flat angles P-C4'-P energy: -17.839
tors. eta vs tors. theta energy: -43.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -489.431882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.431882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.431882 (E_RNA)
where:
Base-Base interactions energy: -356.468
where: short stacking energy: -141.206
Base-Backbone interact. energy: -0.030
local terms energy: -132.933627
where:
bonds (distance) C4'-P energy: -24.242
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -28.182
flat angles P-C4'-P energy: -21.765
tors. eta vs tors. theta energy: -42.738
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: 6
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -553.628132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.628132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.628132 (E_RNA)
where:
Base-Base interactions energy: -405.806
where: short stacking energy: -159.668
Base-Backbone interact. energy: -0.195
local terms energy: -147.627036
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -32.041
flat angles C4'-P-C4' energy: -30.367
flat angles P-C4'-P energy: -18.825
tors. eta vs tors. theta energy: -46.268
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: 7
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -545.095213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.095213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.095213 (E_RNA)
where:
Base-Base interactions energy: -393.252
where: short stacking energy: -155.020
Base-Backbone interact. energy: -0.005
local terms energy: -151.838185
where:
bonds (distance) C4'-P energy: -24.126
bonds (distance) P-C4' energy: -29.863
flat angles C4'-P-C4' energy: -31.925
flat angles P-C4'-P energy: -21.530
tors. eta vs tors. theta energy: -44.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -541.818557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.818557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.818557 (E_RNA)
where:
Base-Base interactions energy: -397.065
where: short stacking energy: -154.932
Base-Backbone interact. energy: -0.377
local terms energy: -144.376723
where:
bonds (distance) C4'-P energy: -23.414
bonds (distance) P-C4' energy: -25.021
flat angles C4'-P-C4' energy: -27.086
flat angles P-C4'-P energy: -23.437
tors. eta vs tors. theta energy: -45.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -546.183786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.183786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.183786 (E_RNA)
where:
Base-Base interactions energy: -393.009
where: short stacking energy: -156.721
Base-Backbone interact. energy: -2.176
local terms energy: -150.999347
where:
bonds (distance) C4'-P energy: -28.238
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -29.536
flat angles P-C4'-P energy: -23.243
tors. eta vs tors. theta energy: -46.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -520.792510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.792510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.792510 (E_RNA)
where:
Base-Base interactions energy: -384.692
where: short stacking energy: -150.288
Base-Backbone interact. energy: -0.075
local terms energy: -136.025927
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -29.735
flat angles C4'-P-C4' energy: -26.037
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: -40.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -522.810254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.810254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.810254 (E_RNA)
where:
Base-Base interactions energy: -383.759
where: short stacking energy: -146.783
Base-Backbone interact. energy: -0.334
local terms energy: -138.717621
where:
bonds (distance) C4'-P energy: -25.881
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -29.491
flat angles P-C4'-P energy: -22.341
tors. eta vs tors. theta energy: -45.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -521.716558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.716558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.716558 (E_RNA)
where:
Base-Base interactions energy: -391.468
where: short stacking energy: -146.792
Base-Backbone interact. energy: -0.333
local terms energy: -129.914809
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -24.076
flat angles C4'-P-C4' energy: -24.748
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: -43.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -517.258674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.258674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.258674 (E_RNA)
where:
Base-Base interactions energy: -378.338
where: short stacking energy: -148.509
Base-Backbone interact. energy: -0.291
local terms energy: -138.629188
where:
bonds (distance) C4'-P energy: -26.485
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -22.705
tors. eta vs tors. theta energy: -44.074
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: 9, replica: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -497.638444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.638444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.638444 (E_RNA)
where:
Base-Base interactions energy: -354.769
where: short stacking energy: -131.052
Base-Backbone interact. energy: -0.197
local terms energy: -142.673184
where:
bonds (distance) C4'-P energy: -27.688
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -28.864
flat angles P-C4'-P energy: -20.889
tors. eta vs tors. theta energy: -42.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -498.970765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.970765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.970765 (E_RNA)
where:
Base-Base interactions energy: -369.811
where: short stacking energy: -140.514
Base-Backbone interact. energy: -1.584
local terms energy: -127.575572
where:
bonds (distance) C4'-P energy: -21.692
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -24.112
flat angles P-C4'-P energy: -21.374
tors. eta vs tors. theta energy: -43.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -566.236806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.236806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.236806 (E_RNA)
where:
Base-Base interactions energy: -411.371
where: short stacking energy: -156.008
Base-Backbone interact. energy: -0.943
local terms energy: -153.922630
where:
bonds (distance) C4'-P energy: -27.919
bonds (distance) P-C4' energy: -25.739
flat angles C4'-P-C4' energy: -32.290
flat angles P-C4'-P energy: -23.488
tors. eta vs tors. theta energy: -44.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -562.799501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.799501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.799501 (E_RNA)
where:
Base-Base interactions energy: -405.564
where: short stacking energy: -155.940
Base-Backbone interact. energy: -0.004
local terms energy: -157.231006
where:
bonds (distance) C4'-P energy: -26.138
bonds (distance) P-C4' energy: -30.759
flat angles C4'-P-C4' energy: -31.826
flat angles P-C4'-P energy: -21.562
tors. eta vs tors. theta energy: -46.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -558.019374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.019374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.019374 (E_RNA)
where:
Base-Base interactions energy: -404.731
where: short stacking energy: -155.333
Base-Backbone interact. energy: -1.212
local terms energy: -152.075734
where:
bonds (distance) C4'-P energy: -26.970
bonds (distance) P-C4' energy: -21.590
flat angles C4'-P-C4' energy: -32.903
flat angles P-C4'-P energy: -23.964
tors. eta vs tors. theta energy: -46.648
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: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -533.570049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.570049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.570049 (E_RNA)
where:
Base-Base interactions energy: -394.195
where: short stacking energy: -151.839
Base-Backbone interact. energy: -0.050
local terms energy: -139.325011
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -29.574
flat angles P-C4'-P energy: -21.269
tors. eta vs tors. theta energy: -42.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -539.192786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.192786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.192786 (E_RNA)
where:
Base-Base interactions energy: -390.548
where: short stacking energy: -156.011
Base-Backbone interact. energy: -1.118
local terms energy: -147.526564
where:
bonds (distance) C4'-P energy: -23.255
bonds (distance) P-C4' energy: -28.631
flat angles C4'-P-C4' energy: -27.197
flat angles P-C4'-P energy: -19.752
tors. eta vs tors. theta energy: -48.692
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: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -531.909926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.909926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.909926 (E_RNA)
where:
Base-Base interactions energy: -380.986
where: short stacking energy: -147.247
Base-Backbone interact. energy: -0.001
local terms energy: -150.922967
where:
bonds (distance) C4'-P energy: -24.117
bonds (distance) P-C4' energy: -26.509
flat angles C4'-P-C4' energy: -31.597
flat angles P-C4'-P energy: -20.343
tors. eta vs tors. theta energy: -48.356
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: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -517.472566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.472566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.472566 (E_RNA)
where:
Base-Base interactions energy: -379.068
where: short stacking energy: -140.945
Base-Backbone interact. energy: -0.042
local terms energy: -138.362437
where:
bonds (distance) C4'-P energy: -23.468
bonds (distance) P-C4' energy: -26.828
flat angles C4'-P-C4' energy: -29.408
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -44.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -517.340017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.340017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.340017 (E_RNA)
where:
Base-Base interactions energy: -379.841
where: short stacking energy: -144.034
Base-Backbone interact. energy: -0.020
local terms energy: -137.478985
where:
bonds (distance) C4'-P energy: -27.237
bonds (distance) P-C4' energy: -25.318
flat angles C4'-P-C4' energy: -24.426
flat angles P-C4'-P energy: -17.267
tors. eta vs tors. theta energy: -43.231
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: 3
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -489.505174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.505174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.505174 (E_RNA)
where:
Base-Base interactions energy: -356.206
where: short stacking energy: -133.882
Base-Backbone interact. energy: -0.000
local terms energy: -133.298484
where:
bonds (distance) C4'-P energy: -23.555
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -28.368
flat angles P-C4'-P energy: -19.563
tors. eta vs tors. theta energy: -39.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -499.449210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.449210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.449210 (E_RNA)
where:
Base-Base interactions energy: -356.161
where: short stacking energy: -138.061
Base-Backbone interact. energy: -1.449
local terms energy: -141.839706
where:
bonds (distance) C4'-P energy: -29.393
bonds (distance) P-C4' energy: -22.897
flat angles C4'-P-C4' energy: -25.904
flat angles P-C4'-P energy: -21.376
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -561.806819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.806819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.806819 (E_RNA)
where:
Base-Base interactions energy: -410.155
where: short stacking energy: -166.062
Base-Backbone interact. energy: -0.915
local terms energy: -150.736397
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -30.718
flat angles C4'-P-C4' energy: -28.800
flat angles P-C4'-P energy: -24.259
tors. eta vs tors. theta energy: -47.641
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: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -557.171091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.171091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.171091 (E_RNA)
where:
Base-Base interactions energy: -399.509
where: short stacking energy: -154.342
Base-Backbone interact. energy: -0.604
local terms energy: -157.058361
where:
bonds (distance) C4'-P energy: -26.975
bonds (distance) P-C4' energy: -26.070
flat angles C4'-P-C4' energy: -31.439
flat angles P-C4'-P energy: -25.471
tors. eta vs tors. theta energy: -47.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -555.242571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.242571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.242571 (E_RNA)
where:
Base-Base interactions energy: -410.164
where: short stacking energy: -158.634
Base-Backbone interact. energy: -0.436
local terms energy: -144.642638
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -27.347
flat angles C4'-P-C4' energy: -30.336
flat angles P-C4'-P energy: -21.579
tors. eta vs tors. theta energy: -47.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -536.745259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.745259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.745259 (E_RNA)
where:
Base-Base interactions energy: -390.740
where: short stacking energy: -147.791
Base-Backbone interact. energy: -0.275
local terms energy: -145.729976
where:
bonds (distance) C4'-P energy: -22.894
bonds (distance) P-C4' energy: -30.330
flat angles C4'-P-C4' energy: -29.258
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -45.250
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: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -548.518410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.518410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.518410 (E_RNA)
where:
Base-Base interactions energy: -400.376
where: short stacking energy: -158.719
Base-Backbone interact. energy: -0.103
local terms energy: -148.039198
where:
bonds (distance) C4'-P energy: -27.193
bonds (distance) P-C4' energy: -22.829
flat angles C4'-P-C4' energy: -28.855
flat angles P-C4'-P energy: -20.083
tors. eta vs tors. theta energy: -49.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -535.570484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.570484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.570484 (E_RNA)
where:
Base-Base interactions energy: -395.009
where: short stacking energy: -152.648
Base-Backbone interact. energy: -1.088
local terms energy: -139.474071
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -23.263
flat angles C4'-P-C4' energy: -25.763
flat angles P-C4'-P energy: -21.693
tors. eta vs tors. theta energy: -45.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -514.478355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.478355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.478355 (E_RNA)
where:
Base-Base interactions energy: -373.975
where: short stacking energy: -145.015
Base-Backbone interact. energy: -0.676
local terms energy: -139.827236
where:
bonds (distance) C4'-P energy: -24.250
bonds (distance) P-C4' energy: -21.899
flat angles C4'-P-C4' energy: -28.241
flat angles P-C4'-P energy: -20.927
tors. eta vs tors. theta energy: -44.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -500.907345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.907345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.907345 (E_RNA)
where:
Base-Base interactions energy: -367.777
where: short stacking energy: -151.525
Base-Backbone interact. energy: -0.421
local terms energy: -132.709659
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -25.298
flat angles C4'-P-C4' energy: -24.654
flat angles P-C4'-P energy: -19.950
tors. eta vs tors. theta energy: -40.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -489.711187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.711187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.711187 (E_RNA)
where:
Base-Base interactions energy: -359.900
where: short stacking energy: -137.913
Base-Backbone interact. energy: -0.520
local terms energy: -129.291359
where:
bonds (distance) C4'-P energy: -25.893
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -25.838
flat angles P-C4'-P energy: -17.107
tors. eta vs tors. theta energy: -40.331
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: 10, replica: 3
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -488.779388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.779388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.779388 (E_RNA)
where:
Base-Base interactions energy: -358.186
where: short stacking energy: -134.906
Base-Backbone interact. energy: -0.010
local terms energy: -130.583312
where:
bonds (distance) C4'-P energy: -21.478
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -25.390
flat angles P-C4'-P energy: -17.222
tors. eta vs tors. theta energy: -43.915
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: 6
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -562.337734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.337734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.337734 (E_RNA)
where:
Base-Base interactions energy: -408.174
where: short stacking energy: -162.062
Base-Backbone interact. energy: -0.265
local terms energy: -153.898465
where:
bonds (distance) C4'-P energy: -27.495
bonds (distance) P-C4' energy: -25.526
flat angles C4'-P-C4' energy: -32.772
flat angles P-C4'-P energy: -20.118
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: 2, replica: 7
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -558.677806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.677806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.677806 (E_RNA)
where:
Base-Base interactions energy: -405.351
where: short stacking energy: -156.843
Base-Backbone interact. energy: -0.002
local terms energy: -153.325524
where:
bonds (distance) C4'-P energy: -27.852
bonds (distance) P-C4' energy: -27.619
flat angles C4'-P-C4' energy: -30.451
flat angles P-C4'-P energy: -20.998
tors. eta vs tors. theta energy: -46.406
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: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -555.505156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.505156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.505156 (E_RNA)
where:
Base-Base interactions energy: -402.370
where: short stacking energy: -157.552
Base-Backbone interact. energy: -1.317
local terms energy: -151.817550
where:
bonds (distance) C4'-P energy: -28.105
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -32.470
flat angles P-C4'-P energy: -23.083
tors. eta vs tors. theta energy: -46.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -539.215769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.215769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.215769 (E_RNA)
where:
Base-Base interactions energy: -390.612
where: short stacking energy: -153.877
Base-Backbone interact. energy: -1.548
local terms energy: -147.056612
where:
bonds (distance) C4'-P energy: -25.703
bonds (distance) P-C4' energy: -25.828
flat angles C4'-P-C4' energy: -24.929
flat angles P-C4'-P energy: -23.592
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: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -529.063832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.063832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.063832 (E_RNA)
where:
Base-Base interactions energy: -394.739
where: short stacking energy: -152.532
Base-Backbone interact. energy: -0.576
local terms energy: -133.749040
where:
bonds (distance) C4'-P energy: -21.355
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -29.070
flat angles P-C4'-P energy: -24.720
tors. eta vs tors. theta energy: -42.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -530.749407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.749407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.749407 (E_RNA)
where:
Base-Base interactions energy: -389.539
where: short stacking energy: -152.279
Base-Backbone interact. energy: -0.455
local terms energy: -140.756059
where:
bonds (distance) C4'-P energy: -27.426
bonds (distance) P-C4' energy: -19.906
flat angles C4'-P-C4' energy: -33.063
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -46.320
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: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -526.806431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.806431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.806431 (E_RNA)
where:
Base-Base interactions energy: -376.733
where: short stacking energy: -149.485
Base-Backbone interact. energy: -1.443
local terms energy: -148.630609
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -29.160
flat angles C4'-P-C4' energy: -31.544
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -46.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -514.660068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.660068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.660068 (E_RNA)
where:
Base-Base interactions energy: -367.517
where: short stacking energy: -151.680
Base-Backbone interact. energy: -0.001
local terms energy: -147.141842
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -31.616
flat angles C4'-P-C4' energy: -30.334
flat angles P-C4'-P energy: -19.577
tors. eta vs tors. theta energy: -44.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -495.266760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.266760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.266760 (E_RNA)
where:
Base-Base interactions energy: -365.861
where: short stacking energy: -142.040
Base-Backbone interact. energy: 7.120
local terms energy: -136.525938
where:
bonds (distance) C4'-P energy: -25.104
bonds (distance) P-C4' energy: -23.420
flat angles C4'-P-C4' energy: -30.151
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -40.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -504.496942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.496942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.496942 (E_RNA)
where:
Base-Base interactions energy: -375.400
where: short stacking energy: -140.460
Base-Backbone interact. energy: -0.006
local terms energy: -129.090385
where:
bonds (distance) C4'-P energy: -23.378
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -30.294
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -44.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -563.898669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.898669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.898669 (E_RNA)
where:
Base-Base interactions energy: -407.355
where: short stacking energy: -157.741
Base-Backbone interact. energy: -0.005
local terms energy: -156.538387
where:
bonds (distance) C4'-P energy: -26.474
bonds (distance) P-C4' energy: -28.737
flat angles C4'-P-C4' energy: -33.446
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -46.504
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: 6
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -547.717284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.717284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.717284 (E_RNA)
where:
Base-Base interactions energy: -399.088
where: short stacking energy: -153.580
Base-Backbone interact. energy: -0.005
local terms energy: -148.624525
where:
bonds (distance) C4'-P energy: -25.544
bonds (distance) P-C4' energy: -27.240
flat angles C4'-P-C4' energy: -31.568
flat angles P-C4'-P energy: -17.780
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: 3, replica: 4
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -548.747745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.747745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.747745 (E_RNA)
where:
Base-Base interactions energy: -393.361
where: short stacking energy: -155.340
Base-Backbone interact. energy: 0.453
local terms energy: -155.840219
where:
bonds (distance) C4'-P energy: -27.636
bonds (distance) P-C4' energy: -29.738
flat angles C4'-P-C4' energy: -26.987
flat angles P-C4'-P energy: -24.090
tors. eta vs tors. theta energy: -47.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -548.637743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.637743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.637743 (E_RNA)
where:
Base-Base interactions energy: -389.955
where: short stacking energy: -150.160
Base-Backbone interact. energy: -0.004
local terms energy: -158.678698
where:
bonds (distance) C4'-P energy: -30.933
bonds (distance) P-C4' energy: -28.995
flat angles C4'-P-C4' energy: -30.632
flat angles P-C4'-P energy: -22.484
tors. eta vs tors. theta energy: -45.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -533.423165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.423165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.423165 (E_RNA)
where:
Base-Base interactions energy: -399.857
where: short stacking energy: -154.479
Base-Backbone interact. energy: -0.833
local terms energy: -132.733119
where:
bonds (distance) C4'-P energy: -23.638
bonds (distance) P-C4' energy: -19.423
flat angles C4'-P-C4' energy: -28.319
flat angles P-C4'-P energy: -18.411
tors. eta vs tors. theta energy: -42.941
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: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -533.127919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.127919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.127919 (E_RNA)
where:
Base-Base interactions energy: -397.162
where: short stacking energy: -157.534
Base-Backbone interact. energy: -0.548
local terms energy: -135.417398
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -27.876
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -47.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -519.322246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.322246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.322246 (E_RNA)
where:
Base-Base interactions energy: -377.642
where: short stacking energy: -144.692
Base-Backbone interact. energy: -0.715
local terms energy: -140.964746
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -25.688
flat angles C4'-P-C4' energy: -30.705
flat angles P-C4'-P energy: -22.507
tors. eta vs tors. theta energy: -42.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -509.302279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.302279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.302279 (E_RNA)
where:
Base-Base interactions energy: -373.925
where: short stacking energy: -143.561
Base-Backbone interact. energy: -0.142
local terms energy: -135.235584
where:
bonds (distance) C4'-P energy: -19.148
bonds (distance) P-C4' energy: -20.487
flat angles C4'-P-C4' energy: -29.427
flat angles P-C4'-P energy: -22.348
tors. eta vs tors. theta energy: -43.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -492.845456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.845456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.845456 (E_RNA)
where:
Base-Base interactions energy: -362.766
where: short stacking energy: -140.100
Base-Backbone interact. energy: -0.002
local terms energy: -130.077690
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -19.512
flat angles C4'-P-C4' energy: -27.850
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -44.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -488.523824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.523824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.523824 (E_RNA)
where:
Base-Base interactions energy: -362.707
where: short stacking energy: -144.931
Base-Backbone interact. energy: -0.312
local terms energy: -125.504634
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -29.020
flat angles P-C4'-P energy: -18.934
tors. eta vs tors. theta energy: -42.273
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: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -564.796365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.796365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.796365 (E_RNA)
where:
Base-Base interactions energy: -404.300
where: short stacking energy: -160.142
Base-Backbone interact. energy: -1.189
local terms energy: -159.307299
where:
bonds (distance) C4'-P energy: -29.385
bonds (distance) P-C4' energy: -25.606
flat angles C4'-P-C4' energy: -31.864
flat angles P-C4'-P energy: -23.405
tors. eta vs tors. theta energy: -49.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -553.437902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.437902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.437902 (E_RNA)
where:
Base-Base interactions energy: -401.933
where: short stacking energy: -162.954
Base-Backbone interact. energy: -0.004
local terms energy: -151.501697
where:
bonds (distance) C4'-P energy: -24.544
bonds (distance) P-C4' energy: -27.411
flat angles C4'-P-C4' energy: -31.486
flat angles P-C4'-P energy: -22.680
tors. eta vs tors. theta energy: -45.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -552.759633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.759633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.759633 (E_RNA)
where:
Base-Base interactions energy: -396.881
where: short stacking energy: -155.701
Base-Backbone interact. energy: -0.599
local terms energy: -155.280058
where:
bonds (distance) C4'-P energy: -26.229
bonds (distance) P-C4' energy: -27.798
flat angles C4'-P-C4' energy: -33.015
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -45.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -539.786251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.786251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.786251 (E_RNA)
where:
Base-Base interactions energy: -389.221
where: short stacking energy: -146.226
Base-Backbone interact. energy: -0.589
local terms energy: -149.976474
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -25.020
flat angles C4'-P-C4' energy: -29.427
flat angles P-C4'-P energy: -25.774
tors. eta vs tors. theta energy: -44.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -531.396898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.396898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.396898 (E_RNA)
where:
Base-Base interactions energy: -374.569
where: short stacking energy: -139.452
Base-Backbone interact. energy: -0.001
local terms energy: -156.826452
where:
bonds (distance) C4'-P energy: -31.181
bonds (distance) P-C4' energy: -30.565
flat angles C4'-P-C4' energy: -29.005
flat angles P-C4'-P energy: -20.051
tors. eta vs tors. theta energy: -46.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -533.463381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.463381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.463381 (E_RNA)
where:
Base-Base interactions energy: -377.771
where: short stacking energy: -141.326
Base-Backbone interact. energy: -0.182
local terms energy: -155.509972
where:
bonds (distance) C4'-P energy: -25.993
bonds (distance) P-C4' energy: -27.395
flat angles C4'-P-C4' energy: -32.158
flat angles P-C4'-P energy: -24.621
tors. eta vs tors. theta energy: -45.343
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: 7, replica: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -527.160055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.160055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.160055 (E_RNA)
where:
Base-Base interactions energy: -380.981
where: short stacking energy: -145.734
Base-Backbone interact. energy: -2.646
local terms energy: -143.533181
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -29.720
flat angles C4'-P-C4' energy: -28.783
flat angles P-C4'-P energy: -17.307
tors. eta vs tors. theta energy: -48.901
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: 8, replica: 3
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -513.492860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.492860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.492860 (E_RNA)
where:
Base-Base interactions energy: -378.956
where: short stacking energy: -148.513
Base-Backbone interact. energy: -0.243
local terms energy: -134.294058
where:
bonds (distance) C4'-P energy: -24.522
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -25.680
flat angles P-C4'-P energy: -20.066
tors. eta vs tors. theta energy: -47.789
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: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -498.989375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.989375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.989375 (E_RNA)
where:
Base-Base interactions energy: -369.676
where: short stacking energy: -144.562
Base-Backbone interact. energy: -0.169
local terms energy: -129.144594
where:
bonds (distance) C4'-P energy: -20.569
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -25.717
flat angles P-C4'-P energy: -20.520
tors. eta vs tors. theta energy: -43.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -492.727520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.727520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.727520 (E_RNA)
where:
Base-Base interactions energy: -366.604
where: short stacking energy: -144.356
Base-Backbone interact. energy: -0.034
local terms energy: -126.089963
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -20.407
flat angles C4'-P-C4' energy: -25.136
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -42.828
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: 1, replica: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -565.446652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.446652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.446652 (E_RNA)
where:
Base-Base interactions energy: -411.567
where: short stacking energy: -161.957
Base-Backbone interact. energy: -0.858
local terms energy: -153.021452
where:
bonds (distance) C4'-P energy: -23.562
bonds (distance) P-C4' energy: -27.476
flat angles C4'-P-C4' energy: -32.195
flat angles P-C4'-P energy: -24.446
tors. eta vs tors. theta energy: -45.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -565.313705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.313705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.313705 (E_RNA)
where:
Base-Base interactions energy: -405.805
where: short stacking energy: -160.273
Base-Backbone interact. energy: -2.254
local terms energy: -157.254560
where:
bonds (distance) C4'-P energy: -31.760
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -29.995
flat angles P-C4'-P energy: -24.179
tors. eta vs tors. theta energy: -46.419
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: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -545.035797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.035797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.035797 (E_RNA)
where:
Base-Base interactions energy: -393.448
where: short stacking energy: -152.380
Base-Backbone interact. energy: -0.639
local terms energy: -150.948796
where:
bonds (distance) C4'-P energy: -26.183
bonds (distance) P-C4' energy: -31.665
flat angles C4'-P-C4' energy: -26.276
flat angles P-C4'-P energy: -23.271
tors. eta vs tors. theta energy: -43.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -533.217311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.217311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.217311 (E_RNA)
where:
Base-Base interactions energy: -390.587
where: short stacking energy: -149.792
Base-Backbone interact. energy: -0.793
local terms energy: -141.837115
where:
bonds (distance) C4'-P energy: -26.208
bonds (distance) P-C4' energy: -27.528
flat angles C4'-P-C4' energy: -28.470
flat angles P-C4'-P energy: -19.242
tors. eta vs tors. theta energy: -40.389
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: 10
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -527.636923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.636923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.636923 (E_RNA)
where:
Base-Base interactions energy: -386.408
where: short stacking energy: -153.732
Base-Backbone interact. energy: -0.051
local terms energy: -141.178504
where:
bonds (distance) C4'-P energy: -28.245
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -25.678
flat angles P-C4'-P energy: -21.536
tors. eta vs tors. theta energy: -44.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -522.120800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.120800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.120800 (E_RNA)
where:
Base-Base interactions energy: -392.451
where: short stacking energy: -149.941
Base-Backbone interact. energy: -0.055
local terms energy: -129.614055
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -30.406
flat angles P-C4'-P energy: -17.225
tors. eta vs tors. theta energy: -42.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -517.052783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.052783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.052783 (E_RNA)
where:
Base-Base interactions energy: -375.395
where: short stacking energy: -147.393
Base-Backbone interact. energy: -1.796
local terms energy: -139.861529
where:
bonds (distance) C4'-P energy: -25.285
bonds (distance) P-C4' energy: -23.950
flat angles C4'-P-C4' energy: -27.511
flat angles P-C4'-P energy: -18.461
tors. eta vs tors. theta energy: -44.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -515.947303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.947303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.947303 (E_RNA)
where:
Base-Base interactions energy: -374.689
where: short stacking energy: -143.413
Base-Backbone interact. energy: -1.420
local terms energy: -139.838313
where:
bonds (distance) C4'-P energy: -22.432
bonds (distance) P-C4' energy: -25.212
flat angles C4'-P-C4' energy: -27.044
flat angles P-C4'-P energy: -19.899
tors. eta vs tors. theta energy: -45.252
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: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -507.980467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.980467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.980467 (E_RNA)
where:
Base-Base interactions energy: -370.341
where: short stacking energy: -139.047
Base-Backbone interact. energy: 0.953
local terms energy: -138.592974
where:
bonds (distance) C4'-P energy: -23.910
bonds (distance) P-C4' energy: -23.400
flat angles C4'-P-C4' energy: -28.475
flat angles P-C4'-P energy: -19.012
tors. eta vs tors. theta energy: -43.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -486.510118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.510118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.510118 (E_RNA)
where:
Base-Base interactions energy: -352.734
where: short stacking energy: -135.207
Base-Backbone interact. energy: -0.286
local terms energy: -133.490988
where:
bonds (distance) C4'-P energy: -29.753
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -24.997
flat angles P-C4'-P energy: -17.061
tors. eta vs tors. theta energy: -40.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -558.380506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.380506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.380506 (E_RNA)
where:
Base-Base interactions energy: -404.742
where: short stacking energy: -161.838
Base-Backbone interact. energy: -0.091
local terms energy: -153.547453
where:
bonds (distance) C4'-P energy: -23.903
bonds (distance) P-C4' energy: -26.557
flat angles C4'-P-C4' energy: -31.982
flat angles P-C4'-P energy: -26.826
tors. eta vs tors. theta energy: -44.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -556.628598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.628598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.628598 (E_RNA)
where:
Base-Base interactions energy: -401.877
where: short stacking energy: -160.781
Base-Backbone interact. energy: -0.640
local terms energy: -154.112073
where:
bonds (distance) C4'-P energy: -27.024
bonds (distance) P-C4' energy: -29.961
flat angles C4'-P-C4' energy: -29.034
flat angles P-C4'-P energy: -23.035
tors. eta vs tors. theta energy: -45.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -543.009037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.009037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.009037 (E_RNA)
where:
Base-Base interactions energy: -392.613
where: short stacking energy: -148.001
Base-Backbone interact. energy: -1.201
local terms energy: -149.195219
where:
bonds (distance) C4'-P energy: -27.826
bonds (distance) P-C4' energy: -27.096
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -21.796
tors. eta vs tors. theta energy: -44.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -539.134797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.134797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.134797 (E_RNA)
where:
Base-Base interactions energy: -390.603
where: short stacking energy: -150.907
Base-Backbone interact. energy: -0.492
local terms energy: -148.039904
where:
bonds (distance) C4'-P energy: -24.964
bonds (distance) P-C4' energy: -25.104
flat angles C4'-P-C4' energy: -29.910
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -47.383
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: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -528.577756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.577756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.577756 (E_RNA)
where:
Base-Base interactions energy: -392.171
where: short stacking energy: -157.036
Base-Backbone interact. energy: -0.023
local terms energy: -136.384426
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -22.043
flat angles C4'-P-C4' energy: -29.994
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: -44.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -527.879169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.879169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.879169 (E_RNA)
where:
Base-Base interactions energy: -382.890
where: short stacking energy: -141.661
Base-Backbone interact. energy: -1.040
local terms energy: -143.949325
where:
bonds (distance) C4'-P energy: -21.643
bonds (distance) P-C4' energy: -26.737
flat angles C4'-P-C4' energy: -32.610
flat angles P-C4'-P energy: -17.689
tors. eta vs tors. theta energy: -45.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -511.825479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.825479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.825479 (E_RNA)
where:
Base-Base interactions energy: -379.164
where: short stacking energy: -150.471
Base-Backbone interact. energy: -0.001
local terms energy: -132.660276
where:
bonds (distance) C4'-P energy: -21.351
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -28.969
flat angles P-C4'-P energy: -18.025
tors. eta vs tors. theta energy: -43.975
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: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -516.294008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.294008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.294008 (E_RNA)
where:
Base-Base interactions energy: -372.439
where: short stacking energy: -149.049
Base-Backbone interact. energy: -1.340
local terms energy: -142.514464
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -29.210
flat angles C4'-P-C4' energy: -27.100
flat angles P-C4'-P energy: -23.122
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: 9, replica: 2
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -510.600138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.600138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.600138 (E_RNA)
where:
Base-Base interactions energy: -374.368
where: short stacking energy: -145.488
Base-Backbone interact. energy: -0.003
local terms energy: -136.229401
where:
bonds (distance) C4'-P energy: -26.257
bonds (distance) P-C4' energy: -25.232
flat angles C4'-P-C4' energy: -25.076
flat angles P-C4'-P energy: -17.533
tors. eta vs tors. theta energy: -42.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -491.831410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.831410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.831410 (E_RNA)
where:
Base-Base interactions energy: -355.525
where: short stacking energy: -139.120
Base-Backbone interact. energy: -0.427
local terms energy: -135.879448
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -26.500
flat angles C4'-P-C4' energy: -29.050
flat angles P-C4'-P energy: -18.530
tors. eta vs tors. theta energy: -42.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -562.695202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.695202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.695202 (E_RNA)
where:
Base-Base interactions energy: -403.787
where: short stacking energy: -157.550
Base-Backbone interact. energy: -0.006
local terms energy: -158.902998
where:
bonds (distance) C4'-P energy: -26.093
bonds (distance) P-C4' energy: -30.350
flat angles C4'-P-C4' energy: -30.270
flat angles P-C4'-P energy: -25.710
tors. eta vs tors. theta energy: -46.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -560.491883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.491883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.491883 (E_RNA)
where:
Base-Base interactions energy: -401.676
where: short stacking energy: -158.740
Base-Backbone interact. energy: -1.347
local terms energy: -157.468941
where:
bonds (distance) C4'-P energy: -28.272
bonds (distance) P-C4' energy: -29.206
flat angles C4'-P-C4' energy: -28.348
flat angles P-C4'-P energy: -23.845
tors. eta vs tors. theta energy: -47.798
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: 10
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -550.203190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.203190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.203190 (E_RNA)
where:
Base-Base interactions energy: -405.581
where: short stacking energy: -158.455
Base-Backbone interact. energy: -1.332
local terms energy: -143.289644
where:
bonds (distance) C4'-P energy: -27.903
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -27.910
flat angles P-C4'-P energy: -18.820
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: 4, replica: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -535.952323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.952323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.952323 (E_RNA)
where:
Base-Base interactions energy: -390.582
where: short stacking energy: -151.357
Base-Backbone interact. energy: -0.003
local terms energy: -145.367685
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -29.947
flat angles C4'-P-C4' energy: -28.657
flat angles P-C4'-P energy: -21.908
tors. eta vs tors. theta energy: -47.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -533.580631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.580631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.580631 (E_RNA)
where:
Base-Base interactions energy: -384.252
where: short stacking energy: -155.105
Base-Backbone interact. energy: -0.817
local terms energy: -148.512206
where:
bonds (distance) C4'-P energy: -24.047
bonds (distance) P-C4' energy: -26.052
flat angles C4'-P-C4' energy: -27.168
flat angles P-C4'-P energy: -25.131
tors. eta vs tors. theta energy: -46.116
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: 6
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -529.477062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.477062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.477062 (E_RNA)
where:
Base-Base interactions energy: -379.090
where: short stacking energy: -153.187
Base-Backbone interact. energy: -0.001
local terms energy: -150.385820
where:
bonds (distance) C4'-P energy: -28.448
bonds (distance) P-C4' energy: -29.291
flat angles C4'-P-C4' energy: -30.587
flat angles P-C4'-P energy: -17.894
tors. eta vs tors. theta energy: -44.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -518.444162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.444162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.444162 (E_RNA)
where:
Base-Base interactions energy: -385.075
where: short stacking energy: -149.418
Base-Backbone interact. energy: 0.820
local terms energy: -134.188835
where:
bonds (distance) C4'-P energy: -20.242
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -29.515
flat angles P-C4'-P energy: -16.065
tors. eta vs tors. theta energy: -40.091
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: 1
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -499.781919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.781919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.781919 (E_RNA)
where:
Base-Base interactions energy: -361.824
where: short stacking energy: -135.899
Base-Backbone interact. energy: -0.004
local terms energy: -137.954048
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -27.983
flat angles C4'-P-C4' energy: -24.786
flat angles P-C4'-P energy: -22.332
tors. eta vs tors. theta energy: -41.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -506.496228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.496228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.496228 (E_RNA)
where:
Base-Base interactions energy: -372.357
where: short stacking energy: -142.308
Base-Backbone interact. energy: -0.212
local terms energy: -133.927941
where:
bonds (distance) C4'-P energy: -21.044
bonds (distance) P-C4' energy: -22.843
flat angles C4'-P-C4' energy: -29.731
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -43.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -499.276561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.276561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.276561 (E_RNA)
where:
Base-Base interactions energy: -367.404
where: short stacking energy: -142.684
Base-Backbone interact. energy: -0.006
local terms energy: -131.867257
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -23.923
flat angles C4'-P-C4' energy: -30.081
flat angles P-C4'-P energy: -19.949
tors. eta vs tors. theta energy: -42.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -560.864087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.864087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.864087 (E_RNA)
where:
Base-Base interactions energy: -404.740
where: short stacking energy: -159.330
Base-Backbone interact. energy: -0.007
local terms energy: -156.117028
where:
bonds (distance) C4'-P energy: -29.504
bonds (distance) P-C4' energy: -23.761
flat angles C4'-P-C4' energy: -30.019
flat angles P-C4'-P energy: -25.722
tors. eta vs tors. theta energy: -47.110
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: 10
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -553.537518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.537518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.537518 (E_RNA)
where:
Base-Base interactions energy: -400.127
where: short stacking energy: -161.621
Base-Backbone interact. energy: -0.757
local terms energy: -152.654110
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -24.778
flat angles C4'-P-C4' energy: -33.648
flat angles P-C4'-P energy: -24.240
tors. eta vs tors. theta energy: -47.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -546.667064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.667064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.667064 (E_RNA)
where:
Base-Base interactions energy: -394.117
where: short stacking energy: -155.578
Base-Backbone interact. energy: -1.031
local terms energy: -151.519024
where:
bonds (distance) C4'-P energy: -26.548
bonds (distance) P-C4' energy: -24.006
flat angles C4'-P-C4' energy: -30.068
flat angles P-C4'-P energy: -21.863
tors. eta vs tors. theta energy: -49.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -550.179149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.179149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.179149 (E_RNA)
where:
Base-Base interactions energy: -396.690
where: short stacking energy: -154.175
Base-Backbone interact. energy: -0.002
local terms energy: -153.487270
where:
bonds (distance) C4'-P energy: -29.000
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -30.980
flat angles P-C4'-P energy: -25.457
tors. eta vs tors. theta energy: -45.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -543.550178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.550178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.550178 (E_RNA)
where:
Base-Base interactions energy: -390.312
where: short stacking energy: -152.254
Base-Backbone interact. energy: -0.844
local terms energy: -152.394344
where:
bonds (distance) C4'-P energy: -27.177
bonds (distance) P-C4' energy: -27.155
flat angles C4'-P-C4' energy: -27.402
flat angles P-C4'-P energy: -25.552
tors. eta vs tors. theta energy: -45.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -530.787006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.787006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.787006 (E_RNA)
where:
Base-Base interactions energy: -386.605
where: short stacking energy: -151.198
Base-Backbone interact. energy: -1.322
local terms energy: -142.860551
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -25.901
flat angles C4'-P-C4' energy: -28.932
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: -47.223
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: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -516.981718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.981718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.981718 (E_RNA)
where:
Base-Base interactions energy: -377.846
where: short stacking energy: -143.447
Base-Backbone interact. energy: -0.015
local terms energy: -139.121472
where:
bonds (distance) C4'-P energy: -21.890
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -28.013
flat angles P-C4'-P energy: -22.398
tors. eta vs tors. theta energy: -41.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -513.576743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.576743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.576743 (E_RNA)
where:
Base-Base interactions energy: -372.700
where: short stacking energy: -139.137
Base-Backbone interact. energy: -1.279
local terms energy: -139.597186
where:
bonds (distance) C4'-P energy: -24.435
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -28.976
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: -44.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -504.678427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.678427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.678427 (E_RNA)
where:
Base-Base interactions energy: -369.027
where: short stacking energy: -140.517
Base-Backbone interact. energy: -0.226
local terms energy: -135.425223
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -27.146
flat angles C4'-P-C4' energy: -31.791
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -40.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -502.134887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.134887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.134887 (E_RNA)
where:
Base-Base interactions energy: -375.718
where: short stacking energy: -151.031
Base-Backbone interact. energy: -0.159
local terms energy: -126.258764
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -20.171
flat angles C4'-P-C4' energy: -25.902
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -44.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -565.221221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.221221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.221221 (E_RNA)
where:
Base-Base interactions energy: -407.396
where: short stacking energy: -160.050
Base-Backbone interact. energy: -0.629
local terms energy: -157.195838
where:
bonds (distance) C4'-P energy: -22.513
bonds (distance) P-C4' energy: -31.447
flat angles C4'-P-C4' energy: -34.406
flat angles P-C4'-P energy: -22.964
tors. eta vs tors. theta energy: -45.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -559.534644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.534644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.534644 (E_RNA)
where:
Base-Base interactions energy: -408.447
where: short stacking energy: -158.452
Base-Backbone interact. energy: -0.078
local terms energy: -151.009106
where:
bonds (distance) C4'-P energy: -28.548
bonds (distance) P-C4' energy: -26.096
flat angles C4'-P-C4' energy: -32.901
flat angles P-C4'-P energy: -17.854
tors. eta vs tors. theta energy: -45.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -552.325946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.325946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.325946 (E_RNA)
where:
Base-Base interactions energy: -401.024
where: short stacking energy: -157.185
Base-Backbone interact. energy: -0.002
local terms energy: -151.299862
where:
bonds (distance) C4'-P energy: -26.583
bonds (distance) P-C4' energy: -24.528
flat angles C4'-P-C4' energy: -33.915
flat angles P-C4'-P energy: -22.167
tors. eta vs tors. theta energy: -44.108
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: 4, replica: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -534.403669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.403669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.403669 (E_RNA)
where:
Base-Base interactions energy: -379.606
where: short stacking energy: -147.851
Base-Backbone interact. energy: -0.893
local terms energy: -153.905073
where:
bonds (distance) C4'-P energy: -22.349
bonds (distance) P-C4' energy: -29.587
flat angles C4'-P-C4' energy: -30.000
flat angles P-C4'-P energy: -26.771
tors. eta vs tors. theta energy: -45.198
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: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -538.589329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.589329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.589329 (E_RNA)
where:
Base-Base interactions energy: -389.509
where: short stacking energy: -154.212
Base-Backbone interact. energy: -0.198
local terms energy: -148.882657
where:
bonds (distance) C4'-P energy: -30.533
bonds (distance) P-C4' energy: -19.229
flat angles C4'-P-C4' energy: -30.265
flat angles P-C4'-P energy: -23.374
tors. eta vs tors. theta energy: -45.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -526.329372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.329372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.329372 (E_RNA)
where:
Base-Base interactions energy: -389.989
where: short stacking energy: -155.681
Base-Backbone interact. energy: -0.004
local terms energy: -136.335676
where:
bonds (distance) C4'-P energy: -22.788
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -24.963
flat angles P-C4'-P energy: -19.440
tors. eta vs tors. theta energy: -47.324
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: 2
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -508.046177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.046177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.046177 (E_RNA)
where:
Base-Base interactions energy: -373.606
where: short stacking energy: -145.268
Base-Backbone interact. energy: -0.232
local terms energy: -134.209012
where:
bonds (distance) C4'-P energy: -19.028
bonds (distance) P-C4' energy: -27.254
flat angles C4'-P-C4' energy: -28.997
flat angles P-C4'-P energy: -16.772
tors. eta vs tors. theta energy: -42.158
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: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -508.792594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.792594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.792594 (E_RNA)
where:
Base-Base interactions energy: -360.897
where: short stacking energy: -146.143
Base-Backbone interact. energy: 0.598
local terms energy: -148.493448
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -23.884
flat angles C4'-P-C4' energy: -33.087
flat angles P-C4'-P energy: -21.417
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: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -513.852695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.852695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.852695 (E_RNA)
where:
Base-Base interactions energy: -372.986
where: short stacking energy: -145.456
Base-Backbone interact. energy: -1.012
local terms energy: -139.854441
where:
bonds (distance) C4'-P energy: -22.463
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -30.723
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -46.231
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: 1
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -508.309556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.309556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.309556 (E_RNA)
where:
Base-Base interactions energy: -371.790
where: short stacking energy: -144.305
Base-Backbone interact. energy: -0.505
local terms energy: -136.014518
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -30.437
flat angles P-C4'-P energy: -20.029
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: 1, replica: 10
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -560.044273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.044273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.044273 (E_RNA)
where:
Base-Base interactions energy: -403.575
where: short stacking energy: -152.379
Base-Backbone interact. energy: -0.536
local terms energy: -155.932935
where:
bonds (distance) C4'-P energy: -28.535
bonds (distance) P-C4' energy: -26.636
flat angles C4'-P-C4' energy: -31.032
flat angles P-C4'-P energy: -22.943
tors. eta vs tors. theta energy: -46.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -547.193213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.193213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.193213 (E_RNA)
where:
Base-Base interactions energy: -392.728
where: short stacking energy: -145.564
Base-Backbone interact. energy: -0.397
local terms energy: -154.068401
where:
bonds (distance) C4'-P energy: -25.045
bonds (distance) P-C4' energy: -30.237
flat angles C4'-P-C4' energy: -30.815
flat angles P-C4'-P energy: -20.123
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: 3, replica: 4
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -549.247716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.247716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.247716 (E_RNA)
where:
Base-Base interactions energy: -404.528
where: short stacking energy: -155.906
Base-Backbone interact. energy: -0.367
local terms energy: -144.352488
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -27.399
flat angles C4'-P-C4' energy: -29.221
flat angles P-C4'-P energy: -17.887
tors. eta vs tors. theta energy: -45.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -545.970017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.970017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.970017 (E_RNA)
where:
Base-Base interactions energy: -394.358
where: short stacking energy: -153.625
Base-Backbone interact. energy: -0.783
local terms energy: -150.828763
where:
bonds (distance) C4'-P energy: -28.560
bonds (distance) P-C4' energy: -23.542
flat angles C4'-P-C4' energy: -27.624
flat angles P-C4'-P energy: -25.366
tors. eta vs tors. theta energy: -45.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -532.858574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.858574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.858574 (E_RNA)
where:
Base-Base interactions energy: -392.412
where: short stacking energy: -154.707
Base-Backbone interact. energy: -1.847
local terms energy: -138.598914
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -23.906
flat angles C4'-P-C4' energy: -28.401
flat angles P-C4'-P energy: -21.123
tors. eta vs tors. theta energy: -47.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -525.362895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.362895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.362895 (E_RNA)
where:
Base-Base interactions energy: -391.586
where: short stacking energy: -152.703
Base-Backbone interact. energy: -0.120
local terms energy: -133.656895
where:
bonds (distance) C4'-P energy: -22.669
bonds (distance) P-C4' energy: -20.480
flat angles C4'-P-C4' energy: -26.743
flat angles P-C4'-P energy: -17.675
tors. eta vs tors. theta energy: -46.090
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: 6
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -516.889677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.889677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.889677 (E_RNA)
where:
Base-Base interactions energy: -380.236
where: short stacking energy: -147.541
Base-Backbone interact. energy: -0.177
local terms energy: -136.475886
where:
bonds (distance) C4'-P energy: -24.959
bonds (distance) P-C4' energy: -20.625
flat angles C4'-P-C4' energy: -31.058
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -41.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -512.575048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.575048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.575048 (E_RNA)
where:
Base-Base interactions energy: -369.625
where: short stacking energy: -141.621
Base-Backbone interact. energy: -0.392
local terms energy: -142.558172
where:
bonds (distance) C4'-P energy: -24.088
bonds (distance) P-C4' energy: -24.288
flat angles C4'-P-C4' energy: -26.292
flat angles P-C4'-P energy: -21.196
tors. eta vs tors. theta energy: -46.694
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: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -504.949947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.949947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.949947 (E_RNA)
where:
Base-Base interactions energy: -369.066
where: short stacking energy: -142.498
Base-Backbone interact. energy: -0.004
local terms energy: -135.880049
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -30.397
flat angles P-C4'-P energy: -20.937
tors. eta vs tors. theta energy: -41.008
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: 10, replica: 1
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -494.586040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.586040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.586040 (E_RNA)
where:
Base-Base interactions energy: -357.544
where: short stacking energy: -133.848
Base-Backbone interact. energy: -0.499
local terms energy: -136.542987
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -23.316
flat angles C4'-P-C4' energy: -30.530
flat angles P-C4'-P energy: -18.929
tors. eta vs tors. theta energy: -43.311
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: 152
Temperature: 0.900000
Total energy: -559.941504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.941504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.941504 (E_RNA)
where:
Base-Base interactions energy: -405.453
where: short stacking energy: -159.971
Base-Backbone interact. energy: -0.486
local terms energy: -154.003118
where:
bonds (distance) C4'-P energy: -26.543
bonds (distance) P-C4' energy: -26.912
flat angles C4'-P-C4' energy: -30.342
flat angles P-C4'-P energy: -22.305
tors. eta vs tors. theta energy: -47.902
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: 10
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -557.927897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.927897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.927897 (E_RNA)
where:
Base-Base interactions energy: -398.746
where: short stacking energy: -148.892
Base-Backbone interact. energy: -0.076
local terms energy: -159.105988
where:
bonds (distance) C4'-P energy: -29.486
bonds (distance) P-C4' energy: -31.342
flat angles C4'-P-C4' energy: -28.750
flat angles P-C4'-P energy: -25.315
tors. eta vs tors. theta energy: -44.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -544.060117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.060117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.060117 (E_RNA)
where:
Base-Base interactions energy: -391.929
where: short stacking energy: -150.663
Base-Backbone interact. energy: -0.183
local terms energy: -151.948238
where:
bonds (distance) C4'-P energy: -26.967
bonds (distance) P-C4' energy: -30.695
flat angles C4'-P-C4' energy: -28.930
flat angles P-C4'-P energy: -20.237
tors. eta vs tors. theta energy: -45.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -539.115673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.115673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.115673 (E_RNA)
where:
Base-Base interactions energy: -388.679
where: short stacking energy: -143.812
Base-Backbone interact. energy: -0.497
local terms energy: -149.939507
where:
bonds (distance) C4'-P energy: -24.700
bonds (distance) P-C4' energy: -24.139
flat angles C4'-P-C4' energy: -31.610
flat angles P-C4'-P energy: -24.243
tors. eta vs tors. theta energy: -45.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -521.553238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.553238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.553238 (E_RNA)
where:
Base-Base interactions energy: -376.359
where: short stacking energy: -142.613
Base-Backbone interact. energy: -0.268
local terms energy: -144.926244
where:
bonds (distance) C4'-P energy: -26.711
bonds (distance) P-C4' energy: -26.409
flat angles C4'-P-C4' energy: -24.350
flat angles P-C4'-P energy: -21.388
tors. eta vs tors. theta energy: -46.069
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: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -531.121758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.121758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.121758 (E_RNA)
where:
Base-Base interactions energy: -378.482
where: short stacking energy: -147.590
Base-Backbone interact. energy: -1.575
local terms energy: -151.064502
where:
bonds (distance) C4'-P energy: -23.716
bonds (distance) P-C4' energy: -26.452
flat angles C4'-P-C4' energy: -31.178
flat angles P-C4'-P energy: -22.747
tors. eta vs tors. theta energy: -46.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -516.290732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.290732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.290732 (E_RNA)
where:
Base-Base interactions energy: -370.957
where: short stacking energy: -149.201
Base-Backbone interact. energy: -0.588
local terms energy: -144.745379
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -23.851
flat angles C4'-P-C4' energy: -29.700
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -45.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -489.566290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.566290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.566290 (E_RNA)
where:
Base-Base interactions energy: -353.804
where: short stacking energy: -135.259
Base-Backbone interact. energy: -0.002
local terms energy: -135.760836
where:
bonds (distance) C4'-P energy: -24.681
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -31.993
flat angles P-C4'-P energy: -22.603
tors. eta vs tors. theta energy: -37.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -509.470960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.470960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.470960 (E_RNA)
where:
Base-Base interactions energy: -372.764
where: short stacking energy: -144.750
Base-Backbone interact. energy: -0.010
local terms energy: -136.697048
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -29.285
flat angles P-C4'-P energy: -21.182
tors. eta vs tors. theta energy: -46.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -485.017599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.017599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.017599 (E_RNA)
where:
Base-Base interactions energy: -352.587
where: short stacking energy: -137.115
Base-Backbone interact. energy: -1.393
local terms energy: -131.037206
where:
bonds (distance) C4'-P energy: -23.049
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -29.360
flat angles P-C4'-P energy: -16.966
tors. eta vs tors. theta energy: -40.323
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: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -560.469626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.469626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.469626 (E_RNA)
where:
Base-Base interactions energy: -404.851
where: short stacking energy: -161.225
Base-Backbone interact. energy: -1.094
local terms energy: -154.524670
where:
bonds (distance) C4'-P energy: -27.636
bonds (distance) P-C4' energy: -28.153
flat angles C4'-P-C4' energy: -31.498
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -46.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -557.846564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.846564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.846564 (E_RNA)
where:
Base-Base interactions energy: -405.410
where: short stacking energy: -157.333
Base-Backbone interact. energy: -0.244
local terms energy: -152.191980
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -26.192
flat angles C4'-P-C4' energy: -34.754
flat angles P-C4'-P energy: -22.319
tors. eta vs tors. theta energy: -46.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -545.137375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.137375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.137375 (E_RNA)
where:
Base-Base interactions energy: -395.493
where: short stacking energy: -152.639
Base-Backbone interact. energy: -0.088
local terms energy: -149.556493
where:
bonds (distance) C4'-P energy: -29.322
bonds (distance) P-C4' energy: -27.678
flat angles C4'-P-C4' energy: -27.055
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -47.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -533.074096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.074096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.074096 (E_RNA)
where:
Base-Base interactions energy: -395.990
where: short stacking energy: -150.991
Base-Backbone interact. energy: -0.889
local terms energy: -136.195124
where:
bonds (distance) C4'-P energy: -24.842
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -29.334
flat angles P-C4'-P energy: -19.887
tors. eta vs tors. theta energy: -42.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -538.370894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.370894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.370894 (E_RNA)
where:
Base-Base interactions energy: -393.916
where: short stacking energy: -151.227
Base-Backbone interact. energy: 1.615
local terms energy: -146.070626
where:
bonds (distance) C4'-P energy: -22.330
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -28.727
flat angles P-C4'-P energy: -22.263
tors. eta vs tors. theta energy: -46.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -536.257278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.257278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.257278 (E_RNA)
where:
Base-Base interactions energy: -389.333
where: short stacking energy: -145.874
Base-Backbone interact. energy: -0.112
local terms energy: -146.812070
where:
bonds (distance) C4'-P energy: -23.628
bonds (distance) P-C4' energy: -24.956
flat angles C4'-P-C4' energy: -29.264
flat angles P-C4'-P energy: -21.590
tors. eta vs tors. theta energy: -47.374
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: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -521.456074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.456074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.456074 (E_RNA)
where:
Base-Base interactions energy: -386.844
where: short stacking energy: -149.639
Base-Backbone interact. energy: -1.121
local terms energy: -133.491330
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -23.658
flat angles C4'-P-C4' energy: -30.707
flat angles P-C4'-P energy: -22.006
tors. eta vs tors. theta energy: -44.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -513.660365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.660365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.660365 (E_RNA)
where:
Base-Base interactions energy: -367.908
where: short stacking energy: -141.991
Base-Backbone interact. energy: -0.018
local terms energy: -145.733700
where:
bonds (distance) C4'-P energy: -29.114
bonds (distance) P-C4' energy: -24.347
flat angles C4'-P-C4' energy: -26.755
flat angles P-C4'-P energy: -21.583
tors. eta vs tors. theta energy: -43.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -508.557479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.557479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.557479 (E_RNA)
where:
Base-Base interactions energy: -376.583
where: short stacking energy: -144.266
Base-Backbone interact. energy: -0.110
local terms energy: -131.864474
where:
bonds (distance) C4'-P energy: -19.460
bonds (distance) P-C4' energy: -26.523
flat angles C4'-P-C4' energy: -25.130
flat angles P-C4'-P energy: -17.340
tors. eta vs tors. theta energy: -43.411
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: 153
Temperature: 1.350000
Total energy: -469.638095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.638095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.638095 (E_RNA)
where:
Base-Base interactions energy: -346.497
where: short stacking energy: -126.803
Base-Backbone interact. energy: -0.440
local terms energy: -122.701567
where:
bonds (distance) C4'-P energy: -24.085
bonds (distance) P-C4' energy: -17.630
flat angles C4'-P-C4' energy: -28.993
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -37.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -560.327471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.327471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.327471 (E_RNA)
where:
Base-Base interactions energy: -397.920
where: short stacking energy: -154.253
Base-Backbone interact. energy: -0.380
local terms energy: -162.027318
where:
bonds (distance) C4'-P energy: -27.777
bonds (distance) P-C4' energy: -30.978
flat angles C4'-P-C4' energy: -32.843
flat angles P-C4'-P energy: -24.622
tors. eta vs tors. theta energy: -45.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -553.850984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.850984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.850984 (E_RNA)
where:
Base-Base interactions energy: -394.605
where: short stacking energy: -158.146
Base-Backbone interact. energy: -0.245
local terms energy: -159.001141
where:
bonds (distance) C4'-P energy: -26.780
bonds (distance) P-C4' energy: -31.764
flat angles C4'-P-C4' energy: -33.532
flat angles P-C4'-P energy: -21.241
tors. eta vs tors. theta energy: -45.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -551.546584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.546584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.546584 (E_RNA)
where:
Base-Base interactions energy: -406.694
where: short stacking energy: -154.748
Base-Backbone interact. energy: -1.033
local terms energy: -143.819440
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -29.649
flat angles C4'-P-C4' energy: -29.307
flat angles P-C4'-P energy: -19.933
tors. eta vs tors. theta energy: -46.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -546.261256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.261256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.261256 (E_RNA)
where:
Base-Base interactions energy: -409.155
where: short stacking energy: -159.234
Base-Backbone interact. energy: -1.176
local terms energy: -135.930108
where:
bonds (distance) C4'-P energy: -25.847
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -25.900
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: -47.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -535.358807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.358807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.358807 (E_RNA)
where:
Base-Base interactions energy: -395.893
where: short stacking energy: -155.955
Base-Backbone interact. energy: -0.004
local terms energy: -139.461589
where:
bonds (distance) C4'-P energy: -23.689
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -31.833
flat angles P-C4'-P energy: -19.174
tors. eta vs tors. theta energy: -43.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -528.625213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.625213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.625213 (E_RNA)
where:
Base-Base interactions energy: -385.668
where: short stacking energy: -155.585
Base-Backbone interact. energy: -1.376
local terms energy: -141.582068
where:
bonds (distance) C4'-P energy: -22.233
bonds (distance) P-C4' energy: -25.921
flat angles C4'-P-C4' energy: -29.233
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: -47.154
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: 154
Temperature: 1.200000
Total energy: -528.377324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.377324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.377324 (E_RNA)
where:
Base-Base interactions energy: -379.076
where: short stacking energy: -146.826
Base-Backbone interact. energy: -0.003
local terms energy: -149.298842
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -27.959
flat angles C4'-P-C4' energy: -29.298
flat angles P-C4'-P energy: -24.894
tors. eta vs tors. theta energy: -45.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -513.594094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.594094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.594094 (E_RNA)
where:
Base-Base interactions energy: -372.998
where: short stacking energy: -143.618
Base-Backbone interact. energy: -0.007
local terms energy: -140.588264
where:
bonds (distance) C4'-P energy: -27.607
bonds (distance) P-C4' energy: -23.118
flat angles C4'-P-C4' energy: -30.985
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -41.832
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: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -502.408630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.408630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.408630 (E_RNA)
where:
Base-Base interactions energy: -379.588
where: short stacking energy: -142.066
Base-Backbone interact. energy: -0.003
local terms energy: -122.818070
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -28.616
flat angles P-C4'-P energy: -18.575
tors. eta vs tors. theta energy: -41.664
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: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -506.727070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.727070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.727070 (E_RNA)
where:
Base-Base interactions energy: -374.444
where: short stacking energy: -144.694
Base-Backbone interact. energy: -1.377
local terms energy: -130.906242
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -25.291
flat angles C4'-P-C4' energy: -26.284
flat angles P-C4'-P energy: -15.829
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: 1, replica: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -565.218077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.218077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.218077 (E_RNA)
where:
Base-Base interactions energy: -407.254
where: short stacking energy: -159.042
Base-Backbone interact. energy: -1.421
local terms energy: -156.543400
where:
bonds (distance) C4'-P energy: -28.151
bonds (distance) P-C4' energy: -25.711
flat angles C4'-P-C4' energy: -30.590
flat angles P-C4'-P energy: -24.667
tors. eta vs tors. theta energy: -47.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -555.109466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.109466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.109466 (E_RNA)
where:
Base-Base interactions energy: -399.647
where: short stacking energy: -154.319
Base-Backbone interact. energy: -2.319
local terms energy: -153.143907
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -27.884
flat angles C4'-P-C4' energy: -30.217
flat angles P-C4'-P energy: -24.003
tors. eta vs tors. theta energy: -46.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -546.400556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.400556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.400556 (E_RNA)
where:
Base-Base interactions energy: -393.325
where: short stacking energy: -147.697
Base-Backbone interact. energy: -0.138
local terms energy: -152.937154
where:
bonds (distance) C4'-P energy: -25.790
bonds (distance) P-C4' energy: -29.864
flat angles C4'-P-C4' energy: -24.909
flat angles P-C4'-P energy: -25.426
tors. eta vs tors. theta energy: -46.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -538.705525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.705525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.705525 (E_RNA)
where:
Base-Base interactions energy: -388.900
where: short stacking energy: -149.702
Base-Backbone interact. energy: -1.204
local terms energy: -148.600971
where:
bonds (distance) C4'-P energy: -30.811
bonds (distance) P-C4' energy: -20.462
flat angles C4'-P-C4' energy: -29.639
flat angles P-C4'-P energy: -22.484
tors. eta vs tors. theta energy: -45.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -533.033311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.033311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.033311 (E_RNA)
where:
Base-Base interactions energy: -383.805
where: short stacking energy: -154.049
Base-Backbone interact. energy: -0.518
local terms energy: -148.709990
where:
bonds (distance) C4'-P energy: -26.836
bonds (distance) P-C4' energy: -23.938
flat angles C4'-P-C4' energy: -31.780
flat angles P-C4'-P energy: -21.919
tors. eta vs tors. theta energy: -44.237
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: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -527.862367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.862367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.862367 (E_RNA)
where:
Base-Base interactions energy: -383.501
where: short stacking energy: -149.210
Base-Backbone interact. energy: -0.007
local terms energy: -144.353700
where:
bonds (distance) C4'-P energy: -24.204
bonds (distance) P-C4' energy: -23.237
flat angles C4'-P-C4' energy: -31.726
flat angles P-C4'-P energy: -19.620
tors. eta vs tors. theta energy: -45.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -514.357028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.357028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.357028 (E_RNA)
where:
Base-Base interactions energy: -381.301
where: short stacking energy: -140.839
Base-Backbone interact. energy: -0.258
local terms energy: -132.797906
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -26.254
flat angles P-C4'-P energy: -21.406
tors. eta vs tors. theta energy: -42.817
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: 6
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -506.390666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.390666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.390666 (E_RNA)
where:
Base-Base interactions energy: -372.582
where: short stacking energy: -150.609
Base-Backbone interact. energy: -0.020
local terms energy: -133.789357
where:
bonds (distance) C4'-P energy: -25.271
bonds (distance) P-C4' energy: -23.763
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -18.257
tors. eta vs tors. theta energy: -45.696
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: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -515.930941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.930941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.930941 (E_RNA)
where:
Base-Base interactions energy: -381.198
where: short stacking energy: -151.996
Base-Backbone interact. energy: -0.636
local terms energy: -134.096892
where:
bonds (distance) C4'-P energy: -21.624
bonds (distance) P-C4' energy: -22.892
flat angles C4'-P-C4' energy: -27.744
flat angles P-C4'-P energy: -17.485
tors. eta vs tors. theta energy: -44.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -506.227609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.227609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.227609 (E_RNA)
where:
Base-Base interactions energy: -379.664
where: short stacking energy: -141.215
Base-Backbone interact. energy: -0.217
local terms energy: -126.346545
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -25.883
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -16.147
tors. eta vs tors. theta energy: -43.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -564.312329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.312329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.312329 (E_RNA)
where:
Base-Base interactions energy: -409.657
where: short stacking energy: -157.657
Base-Backbone interact. energy: -0.259
local terms energy: -154.396288
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -30.046
flat angles C4'-P-C4' energy: -27.601
flat angles P-C4'-P energy: -26.459
tors. eta vs tors. theta energy: -46.765
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: 2, replica: 10
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -545.535782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.535782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.535782 (E_RNA)
where:
Base-Base interactions energy: -392.873
where: short stacking energy: -151.021
Base-Backbone interact. energy: -1.656
local terms energy: -151.007093
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -29.595
flat angles C4'-P-C4' energy: -30.817
flat angles P-C4'-P energy: -23.288
tors. eta vs tors. theta energy: -46.360
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: 156
Temperature: 1.000000
Total energy: -544.436974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.436974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.436974 (E_RNA)
where:
Base-Base interactions energy: -395.237
where: short stacking energy: -150.031
Base-Backbone interact. energy: -0.943
local terms energy: -148.256983
where:
bonds (distance) C4'-P energy: -23.102
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -28.485
flat angles P-C4'-P energy: -25.785
tors. eta vs tors. theta energy: -46.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -543.659470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.659470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.659470 (E_RNA)
where:
Base-Base interactions energy: -398.885
where: short stacking energy: -152.667
Base-Backbone interact. energy: -0.008
local terms energy: -144.765568
where:
bonds (distance) C4'-P energy: -25.344
bonds (distance) P-C4' energy: -20.768
flat angles C4'-P-C4' energy: -30.162
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: -44.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -530.997830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.997830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.997830 (E_RNA)
where:
Base-Base interactions energy: -381.078
where: short stacking energy: -145.444
Base-Backbone interact. energy: -0.753
local terms energy: -149.167008
where:
bonds (distance) C4'-P energy: -29.074
bonds (distance) P-C4' energy: -26.275
flat angles C4'-P-C4' energy: -30.324
flat angles P-C4'-P energy: -20.906
tors. eta vs tors. theta energy: -42.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -522.968797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.968797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.968797 (E_RNA)
where:
Base-Base interactions energy: -384.451
where: short stacking energy: -152.772
Base-Backbone interact. energy: -0.497
local terms energy: -138.020774
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -23.837
flat angles C4'-P-C4' energy: -27.590
flat angles P-C4'-P energy: -20.948
tors. eta vs tors. theta energy: -43.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -513.600616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.600616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.600616 (E_RNA)
where:
Base-Base interactions energy: -375.661
where: short stacking energy: -144.524
Base-Backbone interact. energy: -0.000
local terms energy: -137.939267
where:
bonds (distance) C4'-P energy: -21.379
bonds (distance) P-C4' energy: -23.477
flat angles C4'-P-C4' energy: -32.008
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: -44.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -515.798197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.798197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.798197 (E_RNA)
where:
Base-Base interactions energy: -374.844
where: short stacking energy: -144.186
Base-Backbone interact. energy: -0.010
local terms energy: -140.944101
where:
bonds (distance) C4'-P energy: -24.647
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -31.367
flat angles P-C4'-P energy: -21.545
tors. eta vs tors. theta energy: -41.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -502.525317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.525317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.525317 (E_RNA)
where:
Base-Base interactions energy: -376.194
where: short stacking energy: -143.725
Base-Backbone interact. energy: -0.347
local terms energy: -125.984520
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -28.859
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: -41.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -496.713837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.713837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.713837 (E_RNA)
where:
Base-Base interactions energy: -372.460
where: short stacking energy: -142.832
Base-Backbone interact. energy: -0.126
local terms energy: -124.128689
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -30.138
flat angles P-C4'-P energy: -17.104
tors. eta vs tors. theta energy: -47.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -561.599993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.599993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.599993 (E_RNA)
where:
Base-Base interactions energy: -404.643
where: short stacking energy: -157.819
Base-Backbone interact. energy: -1.604
local terms energy: -155.352922
where:
bonds (distance) C4'-P energy: -26.171
bonds (distance) P-C4' energy: -26.318
flat angles C4'-P-C4' energy: -30.943
flat angles P-C4'-P energy: -23.761
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: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -557.869217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.869217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.869217 (E_RNA)
where:
Base-Base interactions energy: -402.336
where: short stacking energy: -156.609
Base-Backbone interact. energy: -1.314
local terms energy: -154.218898
where:
bonds (distance) C4'-P energy: -27.396
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -31.030
flat angles P-C4'-P energy: -23.258
tors. eta vs tors. theta energy: -47.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -543.094776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.094776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.094776 (E_RNA)
where:
Base-Base interactions energy: -391.972
where: short stacking energy: -157.884
Base-Backbone interact. energy: -0.289
local terms energy: -150.833687
where:
bonds (distance) C4'-P energy: -26.036
bonds (distance) P-C4' energy: -25.798
flat angles C4'-P-C4' energy: -31.343
flat angles P-C4'-P energy: -19.729
tors. eta vs tors. theta energy: -47.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -538.092178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.092178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.092178 (E_RNA)
where:
Base-Base interactions energy: -392.525
where: short stacking energy: -151.893
Base-Backbone interact. energy: -1.030
local terms energy: -144.537665
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -24.953
flat angles C4'-P-C4' energy: -27.876
flat angles P-C4'-P energy: -21.197
tors. eta vs tors. theta energy: -48.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -537.172729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.172729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.172729 (E_RNA)
where:
Base-Base interactions energy: -395.249
where: short stacking energy: -150.636
Base-Backbone interact. energy: -0.560
local terms energy: -141.363597
where:
bonds (distance) C4'-P energy: -24.045
bonds (distance) P-C4' energy: -25.189
flat angles C4'-P-C4' energy: -27.372
flat angles P-C4'-P energy: -20.939
tors. eta vs tors. theta energy: -43.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -524.607527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.607527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.607527 (E_RNA)
where:
Base-Base interactions energy: -384.827
where: short stacking energy: -151.467
Base-Backbone interact. energy: -0.750
local terms energy: -139.031132
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -24.451
flat angles C4'-P-C4' energy: -29.751
flat angles P-C4'-P energy: -21.036
tors. eta vs tors. theta energy: -43.208
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: 7, replica: 9
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -518.650517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.650517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.650517 (E_RNA)
where:
Base-Base interactions energy: -379.703
where: short stacking energy: -150.745
Base-Backbone interact. energy: -0.372
local terms energy: -138.575394
where:
bonds (distance) C4'-P energy: -24.894
bonds (distance) P-C4' energy: -23.188
flat angles C4'-P-C4' energy: -29.025
flat angles P-C4'-P energy: -21.691
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: 8, replica: 1
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -514.187801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.187801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.187801 (E_RNA)
where:
Base-Base interactions energy: -376.362
where: short stacking energy: -144.535
Base-Backbone interact. energy: -0.734
local terms energy: -137.091811
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -28.439
flat angles P-C4'-P energy: -21.773
tors. eta vs tors. theta energy: -45.414
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: 157
Temperature: 1.300000
Total energy: -511.797906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.797906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.797906 (E_RNA)
where:
Base-Base interactions energy: -374.050
where: short stacking energy: -137.516
Base-Backbone interact. energy: -0.398
local terms energy: -137.350024
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -22.015
flat angles C4'-P-C4' energy: -28.551
flat angles P-C4'-P energy: -21.138
tors. eta vs tors. theta energy: -43.209
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: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -494.842358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.842358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.842358 (E_RNA)
where:
Base-Base interactions energy: -368.542
where: short stacking energy: -142.603
Base-Backbone interact. energy: -0.019
local terms energy: -126.281802
where:
bonds (distance) C4'-P energy: -19.137
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -26.093
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: -46.378
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: 4
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -557.543456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.543456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.543456 (E_RNA)
where:
Base-Base interactions energy: -400.808
where: short stacking energy: -154.090
Base-Backbone interact. energy: -0.696
local terms energy: -156.039891
where:
bonds (distance) C4'-P energy: -27.691
bonds (distance) P-C4' energy: -27.435
flat angles C4'-P-C4' energy: -30.722
flat angles P-C4'-P energy: -23.941
tors. eta vs tors. theta energy: -46.251
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: 158
Temperature: 0.950000
Total energy: -555.618051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.618051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.618051 (E_RNA)
where:
Base-Base interactions energy: -397.865
where: short stacking energy: -159.776
Base-Backbone interact. energy: -0.025
local terms energy: -157.728440
where:
bonds (distance) C4'-P energy: -24.405
bonds (distance) P-C4' energy: -31.373
flat angles C4'-P-C4' energy: -29.284
flat angles P-C4'-P energy: -25.319
tors. eta vs tors. theta energy: -47.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -545.445757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.445757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.445757 (E_RNA)
where:
Base-Base interactions energy: -400.744
where: short stacking energy: -160.322
Base-Backbone interact. energy: -0.288
local terms energy: -144.413720
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -27.649
flat angles C4'-P-C4' energy: -30.690
flat angles P-C4'-P energy: -21.306
tors. eta vs tors. theta energy: -45.527
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: 4, replica: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -542.325765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.325765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.325765 (E_RNA)
where:
Base-Base interactions energy: -397.024
where: short stacking energy: -152.918
Base-Backbone interact. energy: -0.823
local terms energy: -144.479110
where:
bonds (distance) C4'-P energy: -24.805
bonds (distance) P-C4' energy: -22.843
flat angles C4'-P-C4' energy: -31.276
flat angles P-C4'-P energy: -24.305
tors. eta vs tors. theta energy: -41.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -540.491611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.491611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.491611 (E_RNA)
where:
Base-Base interactions energy: -394.712
where: short stacking energy: -158.192
Base-Backbone interact. energy: -0.752
local terms energy: -145.027616
where:
bonds (distance) C4'-P energy: -23.496
bonds (distance) P-C4' energy: -22.583
flat angles C4'-P-C4' energy: -29.736
flat angles P-C4'-P energy: -22.714
tors. eta vs tors. theta energy: -46.498
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: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -525.727557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.727557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.727557 (E_RNA)
where:
Base-Base interactions energy: -383.110
where: short stacking energy: -149.915
Base-Backbone interact. energy: -1.139
local terms energy: -141.478845
where:
bonds (distance) C4'-P energy: -27.690
bonds (distance) P-C4' energy: -24.120
flat angles C4'-P-C4' energy: -28.123
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: -43.232
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: 1
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -519.927201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.927201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.927201 (E_RNA)
where:
Base-Base interactions energy: -380.806
where: short stacking energy: -148.631
Base-Backbone interact. energy: -0.091
local terms energy: -139.029886
where:
bonds (distance) C4'-P energy: -24.421
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -30.358
flat angles P-C4'-P energy: -21.562
tors. eta vs tors. theta energy: -44.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -518.466673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.466673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.466673 (E_RNA)
where:
Base-Base interactions energy: -376.787
where: short stacking energy: -146.920
Base-Backbone interact. energy: -0.323
local terms energy: -141.356689
where:
bonds (distance) C4'-P energy: -26.192
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -29.317
flat angles P-C4'-P energy: -16.964
tors. eta vs tors. theta energy: -44.505
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: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -495.820061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.820061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.820061 (E_RNA)
where:
Base-Base interactions energy: -367.870
where: short stacking energy: -138.549
Base-Backbone interact. energy: -2.689
local terms energy: -125.260997
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -19.980
flat angles C4'-P-C4' energy: -24.643
flat angles P-C4'-P energy: -19.795
tors. eta vs tors. theta energy: -43.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -485.584894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.584894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.584894 (E_RNA)
where:
Base-Base interactions energy: -345.407
where: short stacking energy: -128.906
Base-Backbone interact. energy: -0.444
local terms energy: -139.734528
where:
bonds (distance) C4'-P energy: -26.610
bonds (distance) P-C4' energy: -24.644
flat angles C4'-P-C4' energy: -28.380
flat angles P-C4'-P energy: -19.169
tors. eta vs tors. theta energy: -40.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -557.598083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.598083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.598083 (E_RNA)
where:
Base-Base interactions energy: -400.270
where: short stacking energy: -151.624
Base-Backbone interact. energy: -0.003
local terms energy: -157.325419
where:
bonds (distance) C4'-P energy: -30.335
bonds (distance) P-C4' energy: -32.161
flat angles C4'-P-C4' energy: -29.105
flat angles P-C4'-P energy: -19.826
tors. eta vs tors. theta energy: -45.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -558.513102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.513102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.513102 (E_RNA)
where:
Base-Base interactions energy: -407.002
where: short stacking energy: -162.268
Base-Backbone interact. energy: -0.860
local terms energy: -150.651227
where:
bonds (distance) C4'-P energy: -24.075
bonds (distance) P-C4' energy: -24.640
flat angles C4'-P-C4' energy: -33.712
flat angles P-C4'-P energy: -22.365
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: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -545.719630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.719630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.719630 (E_RNA)
where:
Base-Base interactions energy: -394.774
where: short stacking energy: -156.745
Base-Backbone interact. energy: -0.097
local terms energy: -150.848340
where:
bonds (distance) C4'-P energy: -24.904
bonds (distance) P-C4' energy: -27.158
flat angles C4'-P-C4' energy: -27.782
flat angles P-C4'-P energy: -23.230
tors. eta vs tors. theta energy: -47.775
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: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -542.735213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.735213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.735213 (E_RNA)
where:
Base-Base interactions energy: -402.392
where: short stacking energy: -158.349
Base-Backbone interact. energy: -0.136
local terms energy: -140.208160
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -23.825
flat angles C4'-P-C4' energy: -28.880
flat angles P-C4'-P energy: -21.275
tors. eta vs tors. theta energy: -45.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -542.317927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.317927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.317927 (E_RNA)
where:
Base-Base interactions energy: -392.108
where: short stacking energy: -151.763
Base-Backbone interact. energy: -0.001
local terms energy: -150.208617
where:
bonds (distance) C4'-P energy: -22.752
bonds (distance) P-C4' energy: -22.432
flat angles C4'-P-C4' energy: -33.612
flat angles P-C4'-P energy: -23.418
tors. eta vs tors. theta energy: -47.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -525.355042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.355042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.355042 (E_RNA)
where:
Base-Base interactions energy: -388.342
where: short stacking energy: -149.324
Base-Backbone interact. energy: -1.496
local terms energy: -135.517302
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -25.281
flat angles C4'-P-C4' energy: -28.002
flat angles P-C4'-P energy: -18.245
tors. eta vs tors. theta energy: -45.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -513.626944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.626944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.626944 (E_RNA)
where:
Base-Base interactions energy: -381.726
where: short stacking energy: -141.026
Base-Backbone interact. energy: 2.011
local terms energy: -133.911927
where:
bonds (distance) C4'-P energy: -22.714
bonds (distance) P-C4' energy: -20.174
flat angles C4'-P-C4' energy: -27.856
flat angles P-C4'-P energy: -20.443
tors. eta vs tors. theta energy: -42.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -510.705422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.705422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.705422 (E_RNA)
where:
Base-Base interactions energy: -376.543
where: short stacking energy: -141.560
Base-Backbone interact. energy: -0.526
local terms energy: -133.636468
where:
bonds (distance) C4'-P energy: -22.051
bonds (distance) P-C4' energy: -23.874
flat angles C4'-P-C4' energy: -25.356
flat angles P-C4'-P energy: -17.517
tors. eta vs tors. theta energy: -44.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -509.493237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.493237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.493237 (E_RNA)
where:
Base-Base interactions energy: -373.251
where: short stacking energy: -140.470
Base-Backbone interact. energy: -0.167
local terms energy: -136.074811
where:
bonds (distance) C4'-P energy: -26.067
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -29.946
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -44.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -500.208236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.208236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.208236 (E_RNA)
where:
Base-Base interactions energy: -369.346
where: short stacking energy: -148.908
Base-Backbone interact. energy: -0.685
local terms energy: -130.177061
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -22.692
flat angles C4'-P-C4' energy: -24.436
flat angles P-C4'-P energy: -18.578
tors. eta vs tors. theta energy: -44.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -566.383086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.383086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.383086 (E_RNA)
where:
Base-Base interactions energy: -403.364
where: short stacking energy: -158.585
Base-Backbone interact. energy: -0.554
local terms energy: -162.465537
where:
bonds (distance) C4'-P energy: -28.183
bonds (distance) P-C4' energy: -31.733
flat angles C4'-P-C4' energy: -32.276
flat angles P-C4'-P energy: -24.983
tors. eta vs tors. theta energy: -45.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -560.871068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.871068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.871068 (E_RNA)
where:
Base-Base interactions energy: -402.626
where: short stacking energy: -155.569
Base-Backbone interact. energy: -0.199
local terms energy: -158.046226
where:
bonds (distance) C4'-P energy: -27.958
bonds (distance) P-C4' energy: -28.020
flat angles C4'-P-C4' energy: -35.519
flat angles P-C4'-P energy: -19.804
tors. eta vs tors. theta energy: -46.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -549.370971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.370971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.370971 (E_RNA)
where:
Base-Base interactions energy: -394.302
where: short stacking energy: -159.291
Base-Backbone interact. energy: -1.621
local terms energy: -153.447750
where:
bonds (distance) C4'-P energy: -24.670
bonds (distance) P-C4' energy: -25.030
flat angles C4'-P-C4' energy: -31.851
flat angles P-C4'-P energy: -24.414
tors. eta vs tors. theta energy: -47.482
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: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -546.510381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.510381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.510381 (E_RNA)
where:
Base-Base interactions energy: -399.108
where: short stacking energy: -153.033
Base-Backbone interact. energy: 0.986
local terms energy: -148.387974
where:
bonds (distance) C4'-P energy: -25.369
bonds (distance) P-C4' energy: -24.700
flat angles C4'-P-C4' energy: -30.643
flat angles P-C4'-P energy: -21.350
tors. eta vs tors. theta energy: -46.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -537.873004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.873004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.873004 (E_RNA)
where:
Base-Base interactions energy: -382.809
where: short stacking energy: -149.232
Base-Backbone interact. energy: -0.916
local terms energy: -154.147879
where:
bonds (distance) C4'-P energy: -29.971
bonds (distance) P-C4' energy: -23.081
flat angles C4'-P-C4' energy: -32.170
flat angles P-C4'-P energy: -21.587
tors. eta vs tors. theta energy: -47.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -520.719254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.719254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.719254 (E_RNA)
where:
Base-Base interactions energy: -375.239
where: short stacking energy: -142.543
Base-Backbone interact. energy: -0.362
local terms energy: -145.117790
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -27.904
flat angles C4'-P-C4' energy: -30.213
flat angles P-C4'-P energy: -18.864
tors. eta vs tors. theta energy: -44.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -521.510203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.510203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.510203 (E_RNA)
where:
Base-Base interactions energy: -387.012
where: short stacking energy: -144.091
Base-Backbone interact. energy: -1.026
local terms energy: -133.472026
where:
bonds (distance) C4'-P energy: -24.511
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -21.357
tors. eta vs tors. theta energy: -43.295
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: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -518.618440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.618440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.618440 (E_RNA)
where:
Base-Base interactions energy: -383.047
where: short stacking energy: -151.486
Base-Backbone interact. energy: -0.705
local terms energy: -134.866818
where:
bonds (distance) C4'-P energy: -26.073
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -23.404
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: -45.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -511.521712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.521712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.521712 (E_RNA)
where:
Base-Base interactions energy: -380.205
where: short stacking energy: -147.101
Base-Backbone interact. energy: -0.158
local terms energy: -131.159331
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -29.197
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -47.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -502.822646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.822646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.822646 (E_RNA)
where:
Base-Base interactions energy: -374.790
where: short stacking energy: -149.025
Base-Backbone interact. energy: -0.106
local terms energy: -127.926984
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -22.106
flat angles C4'-P-C4' energy: -29.900
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -41.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -564.740371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.740371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.740371 (E_RNA)
where:
Base-Base interactions energy: -403.888
where: short stacking energy: -153.664
Base-Backbone interact. energy: -1.435
local terms energy: -159.416765
where:
bonds (distance) C4'-P energy: -28.108
bonds (distance) P-C4' energy: -28.205
flat angles C4'-P-C4' energy: -31.522
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -48.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -551.149617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.149617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.149617 (E_RNA)
where:
Base-Base interactions energy: -403.874
where: short stacking energy: -158.218
Base-Backbone interact. energy: -0.764
local terms energy: -146.511818
where:
bonds (distance) C4'-P energy: -26.258
bonds (distance) P-C4' energy: -19.338
flat angles C4'-P-C4' energy: -30.777
flat angles P-C4'-P energy: -23.240
tors. eta vs tors. theta energy: -46.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -544.347592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.347592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.347592 (E_RNA)
where:
Base-Base interactions energy: -389.930
where: short stacking energy: -153.092
Base-Backbone interact. energy: -0.191
local terms energy: -154.226436
where:
bonds (distance) C4'-P energy: -21.063
bonds (distance) P-C4' energy: -28.823
flat angles C4'-P-C4' energy: -33.267
flat angles P-C4'-P energy: -24.242
tors. eta vs tors. theta energy: -46.830
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: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -541.533226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.533226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.533226 (E_RNA)
where:
Base-Base interactions energy: -393.534
where: short stacking energy: -156.831
Base-Backbone interact. energy: -0.003
local terms energy: -147.996235
where:
bonds (distance) C4'-P energy: -24.980
bonds (distance) P-C4' energy: -22.762
flat angles C4'-P-C4' energy: -31.576
flat angles P-C4'-P energy: -22.796
tors. eta vs tors. theta energy: -45.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -540.987223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.987223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.987223 (E_RNA)
where:
Base-Base interactions energy: -389.656
where: short stacking energy: -148.517
Base-Backbone interact. energy: 0.247
local terms energy: -151.578220
where:
bonds (distance) C4'-P energy: -22.399
bonds (distance) P-C4' energy: -24.801
flat angles C4'-P-C4' energy: -29.421
flat angles P-C4'-P energy: -27.043
tors. eta vs tors. theta energy: -47.915
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: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -530.071950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.071950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.071950 (E_RNA)
where:
Base-Base interactions energy: -385.640
where: short stacking energy: -147.462
Base-Backbone interact. energy: -1.174
local terms energy: -143.257751
where:
bonds (distance) C4'-P energy: -28.552
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -27.661
flat angles P-C4'-P energy: -25.074
tors. eta vs tors. theta energy: -42.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -523.153713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.153713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.153713 (E_RNA)
where:
Base-Base interactions energy: -381.242
where: short stacking energy: -143.813
Base-Backbone interact. energy: -1.010
local terms energy: -140.900823
where:
bonds (distance) C4'-P energy: -26.544
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -30.467
flat angles P-C4'-P energy: -21.653
tors. eta vs tors. theta energy: -41.384
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: 161
Temperature: 1.250000
Total energy: -491.218892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.218892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.218892 (E_RNA)
where:
Base-Base interactions energy: -362.051
where: short stacking energy: -143.105
Base-Backbone interact. energy: -0.427
local terms energy: -128.740057
where:
bonds (distance) C4'-P energy: -19.291
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -25.027
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -44.440
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: 161
Temperature: 1.300000
Total energy: -500.649991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.649991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.649991 (E_RNA)
where:
Base-Base interactions energy: -370.740
where: short stacking energy: -143.931
Base-Backbone interact. energy: -0.226
local terms energy: -129.683302
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -27.847
flat angles P-C4'-P energy: -22.470
tors. eta vs tors. theta energy: -43.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -495.868216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.868216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.868216 (E_RNA)
where:
Base-Base interactions energy: -359.207
where: short stacking energy: -136.651
Base-Backbone interact. energy: -0.206
local terms energy: -136.454983
where:
bonds (distance) C4'-P energy: -20.857
bonds (distance) P-C4' energy: -22.861
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -24.112
tors. eta vs tors. theta energy: -46.005
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: 6
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -564.870469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.870469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.870469 (E_RNA)
where:
Base-Base interactions energy: -404.132
where: short stacking energy: -156.150
Base-Backbone interact. energy: -0.673
local terms energy: -160.065458
where:
bonds (distance) C4'-P energy: -31.598
bonds (distance) P-C4' energy: -27.283
flat angles C4'-P-C4' energy: -32.693
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -46.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -558.243565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.243565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.243565 (E_RNA)
where:
Base-Base interactions energy: -402.066
where: short stacking energy: -156.128
Base-Backbone interact. energy: -0.191
local terms energy: -155.986596
where:
bonds (distance) C4'-P energy: -27.433
bonds (distance) P-C4' energy: -31.673
flat angles C4'-P-C4' energy: -28.971
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -48.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -543.032850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.032850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.032850 (E_RNA)
where:
Base-Base interactions energy: -389.280
where: short stacking energy: -144.119
Base-Backbone interact. energy: -1.090
local terms energy: -152.662127
where:
bonds (distance) C4'-P energy: -27.148
bonds (distance) P-C4' energy: -25.149
flat angles C4'-P-C4' energy: -30.804
flat angles P-C4'-P energy: -23.052
tors. eta vs tors. theta energy: -46.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -543.334409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.334409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.334409 (E_RNA)
where:
Base-Base interactions energy: -392.489
where: short stacking energy: -148.288
Base-Backbone interact. energy: -1.065
local terms energy: -149.780203
where:
bonds (distance) C4'-P energy: -30.012
bonds (distance) P-C4' energy: -28.120
flat angles C4'-P-C4' energy: -26.938
flat angles P-C4'-P energy: -17.370
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: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -532.771705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.771705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.771705 (E_RNA)
where:
Base-Base interactions energy: -388.891
where: short stacking energy: -153.025
Base-Backbone interact. energy: -0.001
local terms energy: -143.879847
where:
bonds (distance) C4'-P energy: -19.501
bonds (distance) P-C4' energy: -26.829
flat angles C4'-P-C4' energy: -27.201
flat angles P-C4'-P energy: -23.996
tors. eta vs tors. theta energy: -46.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -526.033783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.033783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.033783 (E_RNA)
where:
Base-Base interactions energy: -379.510
where: short stacking energy: -144.582
Base-Backbone interact. energy: -1.226
local terms energy: -145.298044
where:
bonds (distance) C4'-P energy: -27.984
bonds (distance) P-C4' energy: -27.584
flat angles C4'-P-C4' energy: -30.037
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -41.812
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: 7, replica: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -515.027226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.027226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.027226 (E_RNA)
where:
Base-Base interactions energy: -372.722
where: short stacking energy: -145.990
Base-Backbone interact. energy: -0.786
local terms energy: -141.518917
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -27.408
flat angles C4'-P-C4' energy: -28.906
flat angles P-C4'-P energy: -19.168
tors. eta vs tors. theta energy: -47.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -509.258052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.258052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.258052 (E_RNA)
where:
Base-Base interactions energy: -377.173
where: short stacking energy: -144.486
Base-Backbone interact. energy: -0.009
local terms energy: -132.075272
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -31.227
flat angles P-C4'-P energy: -17.792
tors. eta vs tors. theta energy: -45.444
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: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -508.291192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.291192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.291192 (E_RNA)
where:
Base-Base interactions energy: -374.264
where: short stacking energy: -146.061
Base-Backbone interact. energy: -0.052
local terms energy: -133.975261
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -24.118
flat angles C4'-P-C4' energy: -27.912
flat angles P-C4'-P energy: -23.443
tors. eta vs tors. theta energy: -41.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -502.766584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.766584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.766584 (E_RNA)
where:
Base-Base interactions energy: -370.030
where: short stacking energy: -141.202
Base-Backbone interact. energy: -0.198
local terms energy: -132.538926
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -25.263
flat angles P-C4'-P energy: -21.436
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: 1, replica: 6
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -563.745009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.745009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.745009 (E_RNA)
where:
Base-Base interactions energy: -408.225
where: short stacking energy: -162.463
Base-Backbone interact. energy: -0.507
local terms energy: -155.012151
where:
bonds (distance) C4'-P energy: -24.217
bonds (distance) P-C4' energy: -27.935
flat angles C4'-P-C4' energy: -30.601
flat angles P-C4'-P energy: -22.431
tors. eta vs tors. theta energy: -49.828
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: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -551.067916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.067916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.067916 (E_RNA)
where:
Base-Base interactions energy: -403.826
where: short stacking energy: -162.016
Base-Backbone interact. energy: -0.001
local terms energy: -147.241101
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -27.938
flat angles C4'-P-C4' energy: -26.635
flat angles P-C4'-P energy: -24.058
tors. eta vs tors. theta energy: -45.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -556.365425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.365425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.365425 (E_RNA)
where:
Base-Base interactions energy: -405.061
where: short stacking energy: -159.642
Base-Backbone interact. energy: -0.435
local terms energy: -150.869345
where:
bonds (distance) C4'-P energy: -22.573
bonds (distance) P-C4' energy: -27.764
flat angles C4'-P-C4' energy: -30.373
flat angles P-C4'-P energy: -24.879
tors. eta vs tors. theta energy: -45.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -540.478153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.478153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.478153 (E_RNA)
where:
Base-Base interactions energy: -389.948
where: short stacking energy: -154.630
Base-Backbone interact. energy: -0.999
local terms energy: -149.531976
where:
bonds (distance) C4'-P energy: -24.671
bonds (distance) P-C4' energy: -29.036
flat angles C4'-P-C4' energy: -31.425
flat angles P-C4'-P energy: -20.156
tors. eta vs tors. theta energy: -44.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -545.693396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.693396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.693396 (E_RNA)
where:
Base-Base interactions energy: -390.044
where: short stacking energy: -152.681
Base-Backbone interact. energy: -0.565
local terms energy: -155.084481
where:
bonds (distance) C4'-P energy: -24.332
bonds (distance) P-C4' energy: -29.085
flat angles C4'-P-C4' energy: -32.607
flat angles P-C4'-P energy: -23.198
tors. eta vs tors. theta energy: -45.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -533.856294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.856294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.856294 (E_RNA)
where:
Base-Base interactions energy: -392.121
where: short stacking energy: -155.379
Base-Backbone interact. energy: -0.400
local terms energy: -141.335152
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -25.844
flat angles C4'-P-C4' energy: -29.507
flat angles P-C4'-P energy: -19.815
tors. eta vs tors. theta energy: -45.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -534.026233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.026233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.026233 (E_RNA)
where:
Base-Base interactions energy: -390.696
where: short stacking energy: -154.128
Base-Backbone interact. energy: -0.801
local terms energy: -142.529727
where:
bonds (distance) C4'-P energy: -26.498
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -29.260
flat angles P-C4'-P energy: -21.145
tors. eta vs tors. theta energy: -45.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -502.991282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.991282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.991282 (E_RNA)
where:
Base-Base interactions energy: -370.463
where: short stacking energy: -148.704
Base-Backbone interact. energy: -0.057
local terms energy: -132.471480
where:
bonds (distance) C4'-P energy: -27.304
bonds (distance) P-C4' energy: -20.587
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -17.956
tors. eta vs tors. theta energy: -44.026
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: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -498.339071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.339071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.339071 (E_RNA)
where:
Base-Base interactions energy: -371.445
where: short stacking energy: -143.327
Base-Backbone interact. energy: -0.037
local terms energy: -126.856736
where:
bonds (distance) C4'-P energy: -20.048
bonds (distance) P-C4' energy: -17.783
flat angles C4'-P-C4' energy: -25.729
flat angles P-C4'-P energy: -21.109
tors. eta vs tors. theta energy: -42.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -503.262590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.262590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.262590 (E_RNA)
where:
Base-Base interactions energy: -353.748
where: short stacking energy: -135.443
Base-Backbone interact. energy: -0.075
local terms energy: -149.439423
where:
bonds (distance) C4'-P energy: -29.259
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -28.783
flat angles P-C4'-P energy: -21.210
tors. eta vs tors. theta energy: -47.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -558.821830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.821830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.821830 (E_RNA)
where:
Base-Base interactions energy: -400.184
where: short stacking energy: -155.845
Base-Backbone interact. energy: -0.247
local terms energy: -158.391394
where:
bonds (distance) C4'-P energy: -26.899
bonds (distance) P-C4' energy: -30.302
flat angles C4'-P-C4' energy: -31.044
flat angles P-C4'-P energy: -23.438
tors. eta vs tors. theta energy: -46.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -559.157227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.157227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.157227 (E_RNA)
where:
Base-Base interactions energy: -405.174
where: short stacking energy: -160.467
Base-Backbone interact. energy: -0.529
local terms energy: -153.454786
where:
bonds (distance) C4'-P energy: -23.147
bonds (distance) P-C4' energy: -25.958
flat angles C4'-P-C4' energy: -32.189
flat angles P-C4'-P energy: -23.802
tors. eta vs tors. theta energy: -48.359
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: 3, replica: 4
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -545.871640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.871640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.871640 (E_RNA)
where:
Base-Base interactions energy: -392.026
where: short stacking energy: -150.254
Base-Backbone interact. energy: -1.694
local terms energy: -152.151452
where:
bonds (distance) C4'-P energy: -27.369
bonds (distance) P-C4' energy: -25.620
flat angles C4'-P-C4' energy: -28.162
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -46.211
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: 10
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -549.927380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.927380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.927380 (E_RNA)
where:
Base-Base interactions energy: -401.555
where: short stacking energy: -157.343
Base-Backbone interact. energy: 3.385
local terms energy: -151.757208
where:
bonds (distance) C4'-P energy: -23.839
bonds (distance) P-C4' energy: -28.085
flat angles C4'-P-C4' energy: -31.057
flat angles P-C4'-P energy: -21.955
tors. eta vs tors. theta energy: -46.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -530.017167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.017167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.017167 (E_RNA)
where:
Base-Base interactions energy: -385.981
where: short stacking energy: -154.453
Base-Backbone interact. energy: -0.095
local terms energy: -143.940836
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -26.848
flat angles C4'-P-C4' energy: -26.655
flat angles P-C4'-P energy: -23.630
tors. eta vs tors. theta energy: -46.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -532.576832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.576832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.576832 (E_RNA)
where:
Base-Base interactions energy: -383.171
where: short stacking energy: -148.963
Base-Backbone interact. energy: -1.364
local terms energy: -148.041838
where:
bonds (distance) C4'-P energy: -28.311
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -33.571
flat angles P-C4'-P energy: -19.824
tors. eta vs tors. theta energy: -43.188
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: 7, replica: 5
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -513.397293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.397293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.397293 (E_RNA)
where:
Base-Base interactions energy: -366.998
where: short stacking energy: -148.435
Base-Backbone interact. energy: 0.253
local terms energy: -146.652490
where:
bonds (distance) C4'-P energy: -25.411
bonds (distance) P-C4' energy: -24.995
flat angles C4'-P-C4' energy: -23.835
flat angles P-C4'-P energy: -25.120
tors. eta vs tors. theta energy: -47.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -506.224018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.224018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.224018 (E_RNA)
where:
Base-Base interactions energy: -374.772
where: short stacking energy: -143.425
Base-Backbone interact. energy: -0.474
local terms energy: -130.978000
where:
bonds (distance) C4'-P energy: -27.050
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -26.525
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -44.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -498.017700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.017700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.017700 (E_RNA)
where:
Base-Base interactions energy: -367.350
where: short stacking energy: -144.184
Base-Backbone interact. energy: -0.159
local terms energy: -130.508908
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -27.360
flat angles P-C4'-P energy: -21.163
tors. eta vs tors. theta energy: -41.293
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: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -491.336381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.336381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.336381 (E_RNA)
where:
Base-Base interactions energy: -353.377
where: short stacking energy: -131.122
Base-Backbone interact. energy: -0.617
local terms energy: -137.342342
where:
bonds (distance) C4'-P energy: -21.456
bonds (distance) P-C4' energy: -24.981
flat angles C4'-P-C4' energy: -24.891
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -41.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -564.599358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.599358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.599358 (E_RNA)
where:
Base-Base interactions energy: -405.747
where: short stacking energy: -162.918
Base-Backbone interact. energy: -1.651
local terms energy: -157.201597
where:
bonds (distance) C4'-P energy: -28.486
bonds (distance) P-C4' energy: -27.679
flat angles C4'-P-C4' energy: -31.469
flat angles P-C4'-P energy: -23.210
tors. eta vs tors. theta energy: -46.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -551.445246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.445246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.445246 (E_RNA)
where:
Base-Base interactions energy: -393.954
where: short stacking energy: -155.702
Base-Backbone interact. energy: -1.031
local terms energy: -156.460500
where:
bonds (distance) C4'-P energy: -28.514
bonds (distance) P-C4' energy: -28.214
flat angles C4'-P-C4' energy: -30.862
flat angles P-C4'-P energy: -20.919
tors. eta vs tors. theta energy: -47.952
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: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -551.441658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.441658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.441658 (E_RNA)
where:
Base-Base interactions energy: -396.360
where: short stacking energy: -160.717
Base-Backbone interact. energy: -1.478
local terms energy: -153.603796
where:
bonds (distance) C4'-P energy: -24.105
bonds (distance) P-C4' energy: -26.211
flat angles C4'-P-C4' energy: -32.616
flat angles P-C4'-P energy: -23.508
tors. eta vs tors. theta energy: -47.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -549.591807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.591807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.591807 (E_RNA)
where:
Base-Base interactions energy: -396.078
where: short stacking energy: -160.332
Base-Backbone interact. energy: -0.886
local terms energy: -152.627561
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -25.384
flat angles C4'-P-C4' energy: -32.492
flat angles P-C4'-P energy: -23.830
tors. eta vs tors. theta energy: -45.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -533.941066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.941066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.941066 (E_RNA)
where:
Base-Base interactions energy: -389.945
where: short stacking energy: -147.062
Base-Backbone interact. energy: -1.979
local terms energy: -142.017210
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -23.967
flat angles C4'-P-C4' energy: -28.847
flat angles P-C4'-P energy: -23.169
tors. eta vs tors. theta energy: -44.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -535.240117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.240117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.240117 (E_RNA)
where:
Base-Base interactions energy: -386.798
where: short stacking energy: -148.832
Base-Backbone interact. energy: -0.281
local terms energy: -148.161190
where:
bonds (distance) C4'-P energy: -22.283
bonds (distance) P-C4' energy: -25.165
flat angles C4'-P-C4' energy: -30.244
flat angles P-C4'-P energy: -24.138
tors. eta vs tors. theta energy: -46.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -527.466080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.466080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.466080 (E_RNA)
where:
Base-Base interactions energy: -384.470
where: short stacking energy: -148.348
Base-Backbone interact. energy: -0.424
local terms energy: -142.572608
where:
bonds (distance) C4'-P energy: -27.250
bonds (distance) P-C4' energy: -19.702
flat angles C4'-P-C4' energy: -27.652
flat angles P-C4'-P energy: -21.353
tors. eta vs tors. theta energy: -46.615
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: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -517.949551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.949551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.949551 (E_RNA)
where:
Base-Base interactions energy: -385.045
where: short stacking energy: -145.941
Base-Backbone interact. energy: -1.144
local terms energy: -131.761007
where:
bonds (distance) C4'-P energy: -20.641
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -20.919
tors. eta vs tors. theta energy: -45.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -495.170065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.170065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.170065 (E_RNA)
where:
Base-Base interactions energy: -371.948
where: short stacking energy: -137.761
Base-Backbone interact. energy: -0.309
local terms energy: -122.913686
where:
bonds (distance) C4'-P energy: -19.844
bonds (distance) P-C4' energy: -27.172
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -19.599
tors. eta vs tors. theta energy: -39.854
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: 10, replica: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -478.046192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.046192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.046192 (E_RNA)
where:
Base-Base interactions energy: -350.484
where: short stacking energy: -136.078
Base-Backbone interact. energy: -0.373
local terms energy: -127.188835
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -27.523
flat angles P-C4'-P energy: -19.826
tors. eta vs tors. theta energy: -40.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -559.696650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.696650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.696650 (E_RNA)
where:
Base-Base interactions energy: -404.123
where: short stacking energy: -156.155
Base-Backbone interact. energy: -1.488
local terms energy: -154.085737
where:
bonds (distance) C4'-P energy: -21.634
bonds (distance) P-C4' energy: -31.542
flat angles C4'-P-C4' energy: -32.786
flat angles P-C4'-P energy: -23.079
tors. eta vs tors. theta energy: -45.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -558.051501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.051501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.051501 (E_RNA)
where:
Base-Base interactions energy: -403.424
where: short stacking energy: -161.156
Base-Backbone interact. energy: -0.407
local terms energy: -154.220355
where:
bonds (distance) C4'-P energy: -30.808
bonds (distance) P-C4' energy: -25.790
flat angles C4'-P-C4' energy: -26.954
flat angles P-C4'-P energy: -22.685
tors. eta vs tors. theta energy: -47.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -555.728977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.728977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.728977 (E_RNA)
where:
Base-Base interactions energy: -406.762
where: short stacking energy: -158.345
Base-Backbone interact. energy: -0.124
local terms energy: -148.842873
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -26.970
flat angles C4'-P-C4' energy: -28.868
flat angles P-C4'-P energy: -23.920
tors. eta vs tors. theta energy: -47.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -542.487487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.487487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.487487 (E_RNA)
where:
Base-Base interactions energy: -395.778
where: short stacking energy: -154.269
Base-Backbone interact. energy: 0.023
local terms energy: -146.731753
where:
bonds (distance) C4'-P energy: -27.834
bonds (distance) P-C4' energy: -23.394
flat angles C4'-P-C4' energy: -28.210
flat angles P-C4'-P energy: -19.885
tors. eta vs tors. theta energy: -47.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -533.725017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.725017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.725017 (E_RNA)
where:
Base-Base interactions energy: -384.389
where: short stacking energy: -150.053
Base-Backbone interact. energy: -0.380
local terms energy: -148.955239
where:
bonds (distance) C4'-P energy: -25.442
bonds (distance) P-C4' energy: -27.889
flat angles C4'-P-C4' energy: -30.680
flat angles P-C4'-P energy: -21.090
tors. eta vs tors. theta energy: -43.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -529.909009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.909009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.909009 (E_RNA)
where:
Base-Base interactions energy: -381.296
where: short stacking energy: -146.191
Base-Backbone interact. energy: -1.010
local terms energy: -147.602819
where:
bonds (distance) C4'-P energy: -28.081
bonds (distance) P-C4' energy: -26.893
flat angles C4'-P-C4' energy: -26.946
flat angles P-C4'-P energy: -19.287
tors. eta vs tors. theta energy: -46.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -528.583874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.583874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.583874 (E_RNA)
where:
Base-Base interactions energy: -382.872
where: short stacking energy: -149.080
Base-Backbone interact. energy: -0.817
local terms energy: -144.894516
where:
bonds (distance) C4'-P energy: -25.314
bonds (distance) P-C4' energy: -25.854
flat angles C4'-P-C4' energy: -30.826
flat angles P-C4'-P energy: -18.677
tors. eta vs tors. theta energy: -44.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -514.718062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.718062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.718062 (E_RNA)
where:
Base-Base interactions energy: -380.270
where: short stacking energy: -149.393
Base-Backbone interact. energy: -0.046
local terms energy: -134.402156
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -25.195
flat angles C4'-P-C4' energy: -27.992
flat angles P-C4'-P energy: -18.220
tors. eta vs tors. theta energy: -44.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -514.241381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.241381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.241381 (E_RNA)
where:
Base-Base interactions energy: -376.533
where: short stacking energy: -145.490
Base-Backbone interact. energy: -0.181
local terms energy: -137.527035
where:
bonds (distance) C4'-P energy: -24.694
bonds (distance) P-C4' energy: -25.745
flat angles C4'-P-C4' energy: -29.434
flat angles P-C4'-P energy: -15.898
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: 10, replica: 7
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -494.975440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.975440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.975440 (E_RNA)
where:
Base-Base interactions energy: -369.961
where: short stacking energy: -150.225
Base-Backbone interact. energy: 0.725
local terms energy: -125.739843
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -25.697
flat angles P-C4'-P energy: -19.313
tors. eta vs tors. theta energy: -43.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -569.658135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.658135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.658135 (E_RNA)
where:
Base-Base interactions energy: -403.565
where: short stacking energy: -160.428
Base-Backbone interact. energy: -0.610
local terms energy: -165.483193
where:
bonds (distance) C4'-P energy: -29.065
bonds (distance) P-C4' energy: -29.901
flat angles C4'-P-C4' energy: -31.360
flat angles P-C4'-P energy: -26.766
tors. eta vs tors. theta energy: -48.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -553.481659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.481659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.481659 (E_RNA)
where:
Base-Base interactions energy: -407.144
where: short stacking energy: -163.503
Base-Backbone interact. energy: -0.013
local terms energy: -146.325270
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -28.860
flat angles P-C4'-P energy: -23.283
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: 3, replica: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -552.091139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.091139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.091139 (E_RNA)
where:
Base-Base interactions energy: -403.064
where: short stacking energy: -157.848
Base-Backbone interact. energy: -1.737
local terms energy: -147.290659
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -25.587
flat angles C4'-P-C4' energy: -30.500
flat angles P-C4'-P energy: -24.437
tors. eta vs tors. theta energy: -47.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -547.453031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.453031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.453031 (E_RNA)
where:
Base-Base interactions energy: -391.330
where: short stacking energy: -151.910
Base-Backbone interact. energy: -1.110
local terms energy: -155.012406
where:
bonds (distance) C4'-P energy: -28.632
bonds (distance) P-C4' energy: -23.430
flat angles C4'-P-C4' energy: -31.292
flat angles P-C4'-P energy: -23.324
tors. eta vs tors. theta energy: -48.335
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: 10
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -531.205735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.205735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.205735 (E_RNA)
where:
Base-Base interactions energy: -384.647
where: short stacking energy: -150.446
Base-Backbone interact. energy: -0.448
local terms energy: -146.110554
where:
bonds (distance) C4'-P energy: -29.628
bonds (distance) P-C4' energy: -25.528
flat angles C4'-P-C4' energy: -26.703
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -46.647
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: 9
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -529.005108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.005108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.005108 (E_RNA)
where:
Base-Base interactions energy: -384.172
where: short stacking energy: -147.832
Base-Backbone interact. energy: -0.158
local terms energy: -144.675291
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -28.978
flat angles C4'-P-C4' energy: -26.413
flat angles P-C4'-P energy: -23.024
tors. eta vs tors. theta energy: -44.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -528.435662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.435662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.435662 (E_RNA)
where:
Base-Base interactions energy: -390.929
where: short stacking energy: -145.113
Base-Backbone interact. energy: -0.364
local terms energy: -137.143315
where:
bonds (distance) C4'-P energy: -23.087
bonds (distance) P-C4' energy: -18.223
flat angles C4'-P-C4' energy: -30.321
flat angles P-C4'-P energy: -20.360
tors. eta vs tors. theta energy: -45.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -515.930543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.930543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.930543 (E_RNA)
where:
Base-Base interactions energy: -377.618
where: short stacking energy: -145.230
Base-Backbone interact. energy: 0.175
local terms energy: -138.487456
where:
bonds (distance) C4'-P energy: -21.319
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -29.415
flat angles P-C4'-P energy: -20.211
tors. eta vs tors. theta energy: -43.083
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: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -506.596843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.596843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.596843 (E_RNA)
where:
Base-Base interactions energy: -371.797
where: short stacking energy: -141.208
Base-Backbone interact. energy: -0.573
local terms energy: -134.227172
where:
bonds (distance) C4'-P energy: -20.532
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -25.903
flat angles P-C4'-P energy: -21.381
tors. eta vs tors. theta energy: -45.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -500.076589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.076589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.076589 (E_RNA)
where:
Base-Base interactions energy: -366.750
where: short stacking energy: -135.469
Base-Backbone interact. energy: -0.004
local terms energy: -133.322128
where:
bonds (distance) C4'-P energy: -26.490
bonds (distance) P-C4' energy: -23.251
flat angles C4'-P-C4' energy: -26.647
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -44.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -555.756525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.756525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.756525 (E_RNA)
where:
Base-Base interactions energy: -403.512
where: short stacking energy: -159.438
Base-Backbone interact. energy: -0.023
local terms energy: -152.221697
where:
bonds (distance) C4'-P energy: -27.242
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -30.244
flat angles P-C4'-P energy: -24.464
tors. eta vs tors. theta energy: -46.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -550.292792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.292792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.292792 (E_RNA)
where:
Base-Base interactions energy: -400.540
where: short stacking energy: -156.278
Base-Backbone interact. energy: -0.789
local terms energy: -148.964415
where:
bonds (distance) C4'-P energy: -24.387
bonds (distance) P-C4' energy: -24.104
flat angles C4'-P-C4' energy: -32.979
flat angles P-C4'-P energy: -21.554
tors. eta vs tors. theta energy: -45.941
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: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -549.188512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.188512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.188512 (E_RNA)
where:
Base-Base interactions energy: -396.521
where: short stacking energy: -154.955
Base-Backbone interact. energy: -0.529
local terms energy: -152.138727
where:
bonds (distance) C4'-P energy: -26.187
bonds (distance) P-C4' energy: -25.972
flat angles C4'-P-C4' energy: -29.621
flat angles P-C4'-P energy: -22.928
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: 4, replica: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -542.179492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.179492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.179492 (E_RNA)
where:
Base-Base interactions energy: -392.332
where: short stacking energy: -150.054
Base-Backbone interact. energy: -1.796
local terms energy: -148.051665
where:
bonds (distance) C4'-P energy: -21.535
bonds (distance) P-C4' energy: -25.809
flat angles C4'-P-C4' energy: -33.510
flat angles P-C4'-P energy: -23.350
tors. eta vs tors. theta energy: -43.848
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: 10
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -527.877046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.877046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.877046 (E_RNA)
where:
Base-Base interactions energy: -391.309
where: short stacking energy: -159.152
Base-Backbone interact. energy: -1.989
local terms energy: -134.579509
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -30.995
flat angles P-C4'-P energy: -19.721
tors. eta vs tors. theta energy: -42.552
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: 9
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -520.895055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.895055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.895055 (E_RNA)
where:
Base-Base interactions energy: -390.976
where: short stacking energy: -151.684
Base-Backbone interact. energy: -1.581
local terms energy: -128.338529
where:
bonds (distance) C4'-P energy: -21.664
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -23.834
flat angles P-C4'-P energy: -20.164
tors. eta vs tors. theta energy: -45.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -518.365693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.365693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.365693 (E_RNA)
where:
Base-Base interactions energy: -377.181
where: short stacking energy: -147.746
Base-Backbone interact. energy: -0.364
local terms energy: -140.820589
where:
bonds (distance) C4'-P energy: -19.931
bonds (distance) P-C4' energy: -28.794
flat angles C4'-P-C4' energy: -28.718
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: -46.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -511.584199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.584199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.584199 (E_RNA)
where:
Base-Base interactions energy: -366.120
where: short stacking energy: -145.492
Base-Backbone interact. energy: -0.816
local terms energy: -144.648579
where:
bonds (distance) C4'-P energy: -24.698
bonds (distance) P-C4' energy: -25.839
flat angles C4'-P-C4' energy: -30.809
flat angles P-C4'-P energy: -22.066
tors. eta vs tors. theta energy: -41.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -502.228585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.228585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.228585 (E_RNA)
where:
Base-Base interactions energy: -366.109
where: short stacking energy: -143.941
Base-Backbone interact. energy: -0.209
local terms energy: -135.909742
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -24.876
flat angles C4'-P-C4' energy: -27.427
flat angles P-C4'-P energy: -21.377
tors. eta vs tors. theta energy: -43.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -495.205795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.205795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.205795 (E_RNA)
where:
Base-Base interactions energy: -373.558
where: short stacking energy: -152.830
Base-Backbone interact. energy: -0.486
local terms energy: -121.161712
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -28.426
flat angles P-C4'-P energy: -14.037
tors. eta vs tors. theta energy: -44.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -566.790344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.790344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.790344 (E_RNA)
where:
Base-Base interactions energy: -410.141
where: short stacking energy: -158.810
Base-Backbone interact. energy: -0.126
local terms energy: -156.523791
where:
bonds (distance) C4'-P energy: -26.021
bonds (distance) P-C4' energy: -30.191
flat angles C4'-P-C4' energy: -31.800
flat angles P-C4'-P energy: -21.898
tors. eta vs tors. theta energy: -46.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -548.694222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.694222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.694222 (E_RNA)
where:
Base-Base interactions energy: -395.245
where: short stacking energy: -161.471
Base-Backbone interact. energy: -0.006
local terms energy: -153.443317
where:
bonds (distance) C4'-P energy: -30.667
bonds (distance) P-C4' energy: -27.795
flat angles C4'-P-C4' energy: -30.537
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: -43.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -547.143210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.143210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.143210 (E_RNA)
where:
Base-Base interactions energy: -390.134
where: short stacking energy: -149.587
Base-Backbone interact. energy: -1.185
local terms energy: -155.824294
where:
bonds (distance) C4'-P energy: -31.184
bonds (distance) P-C4' energy: -27.006
flat angles C4'-P-C4' energy: -29.086
flat angles P-C4'-P energy: -25.031
tors. eta vs tors. theta energy: -43.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -535.198685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.198685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.198685 (E_RNA)
where:
Base-Base interactions energy: -390.748
where: short stacking energy: -151.657
Base-Backbone interact. energy: -0.175
local terms energy: -144.275413
where:
bonds (distance) C4'-P energy: -26.287
bonds (distance) P-C4' energy: -27.442
flat angles C4'-P-C4' energy: -24.777
flat angles P-C4'-P energy: -19.478
tors. eta vs tors. theta energy: -46.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -533.985158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.985158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.985158 (E_RNA)
where:
Base-Base interactions energy: -390.165
where: short stacking energy: -149.589
Base-Backbone interact. energy: -0.004
local terms energy: -143.816113
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -28.244
flat angles P-C4'-P energy: -22.140
tors. eta vs tors. theta energy: -47.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -529.693427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.693427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.693427 (E_RNA)
where:
Base-Base interactions energy: -382.574
where: short stacking energy: -147.086
Base-Backbone interact. energy: -0.625
local terms energy: -146.494139
where:
bonds (distance) C4'-P energy: -28.274
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -30.849
flat angles P-C4'-P energy: -22.875
tors. eta vs tors. theta energy: -46.013
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: 9
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -517.811847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.811847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.811847 (E_RNA)
where:
Base-Base interactions energy: -383.343
where: short stacking energy: -148.866
Base-Backbone interact. energy: -0.200
local terms energy: -134.268677
where:
bonds (distance) C4'-P energy: -21.664
bonds (distance) P-C4' energy: -24.416
flat angles C4'-P-C4' energy: -25.699
flat angles P-C4'-P energy: -18.660
tors. eta vs tors. theta energy: -43.829
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: 169
Temperature: 1.250000
Total energy: -512.692202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.692202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.692202 (E_RNA)
where:
Base-Base interactions energy: -379.321
where: short stacking energy: -144.201
Base-Backbone interact. energy: -0.894
local terms energy: -132.477282
where:
bonds (distance) C4'-P energy: -28.459
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -19.127
tors. eta vs tors. theta energy: -42.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -511.160162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.160162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.160162 (E_RNA)
where:
Base-Base interactions energy: -371.778
where: short stacking energy: -146.551
Base-Backbone interact. energy: -0.012
local terms energy: -139.370055
where:
bonds (distance) C4'-P energy: -25.865
bonds (distance) P-C4' energy: -19.762
flat angles C4'-P-C4' energy: -26.771
flat angles P-C4'-P energy: -20.550
tors. eta vs tors. theta energy: -46.422
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: 169
Temperature: 1.350000
Total energy: -491.905402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.905402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.905402 (E_RNA)
where:
Base-Base interactions energy: -359.719
where: short stacking energy: -138.820
Base-Backbone interact. energy: -0.136
local terms energy: -132.050751
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -19.248
flat angles C4'-P-C4' energy: -27.549
flat angles P-C4'-P energy: -20.679
tors. eta vs tors. theta energy: -45.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -553.571553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.571553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.571553 (E_RNA)
where:
Base-Base interactions energy: -404.521
where: short stacking energy: -156.827
Base-Backbone interact. energy: -0.428
local terms energy: -148.622422
where:
bonds (distance) C4'-P energy: -24.704
bonds (distance) P-C4' energy: -26.976
flat angles C4'-P-C4' energy: -30.496
flat angles P-C4'-P energy: -22.501
tors. eta vs tors. theta energy: -43.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -557.620357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.620357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.620357 (E_RNA)
where:
Base-Base interactions energy: -399.825
where: short stacking energy: -159.536
Base-Backbone interact. energy: -0.480
local terms energy: -157.315396
where:
bonds (distance) C4'-P energy: -28.792
bonds (distance) P-C4' energy: -25.324
flat angles C4'-P-C4' energy: -33.371
flat angles P-C4'-P energy: -20.618
tors. eta vs tors. theta energy: -49.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -556.720214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.720214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.720214 (E_RNA)
where:
Base-Base interactions energy: -403.151
where: short stacking energy: -162.263
Base-Backbone interact. energy: -1.609
local terms energy: -151.960556
where:
bonds (distance) C4'-P energy: -25.035
bonds (distance) P-C4' energy: -26.624
flat angles C4'-P-C4' energy: -28.411
flat angles P-C4'-P energy: -24.026
tors. eta vs tors. theta energy: -47.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -542.726660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.726660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.726660 (E_RNA)
where:
Base-Base interactions energy: -397.941
where: short stacking energy: -153.283
Base-Backbone interact. energy: -0.351
local terms energy: -144.435431
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -30.148
flat angles P-C4'-P energy: -23.506
tors. eta vs tors. theta energy: -46.282
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: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -543.962407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.962407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.962407 (E_RNA)
where:
Base-Base interactions energy: -394.952
where: short stacking energy: -159.201
Base-Backbone interact. energy: -0.666
local terms energy: -148.344003
where:
bonds (distance) C4'-P energy: -25.877
bonds (distance) P-C4' energy: -27.369
flat angles C4'-P-C4' energy: -25.904
flat angles P-C4'-P energy: -20.998
tors. eta vs tors. theta energy: -48.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -529.290994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.290994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.290994 (E_RNA)
where:
Base-Base interactions energy: -375.874
where: short stacking energy: -146.997
Base-Backbone interact. energy: -2.320
local terms energy: -151.096471
where:
bonds (distance) C4'-P energy: -24.638
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -29.084
flat angles P-C4'-P energy: -23.496
tors. eta vs tors. theta energy: -47.973
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: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -530.082808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.082808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.082808 (E_RNA)
where:
Base-Base interactions energy: -390.632
where: short stacking energy: -149.917
Base-Backbone interact. energy: -0.005
local terms energy: -139.445947
where:
bonds (distance) C4'-P energy: -26.955
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -25.265
flat angles P-C4'-P energy: -22.146
tors. eta vs tors. theta energy: -45.233
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: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -514.865890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.865890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.865890 (E_RNA)
where:
Base-Base interactions energy: -378.195
where: short stacking energy: -153.083
Base-Backbone interact. energy: -0.004
local terms energy: -136.666731
where:
bonds (distance) C4'-P energy: -25.986
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -17.967
tors. eta vs tors. theta energy: -46.053
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: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -518.407931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.407931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.407931 (E_RNA)
where:
Base-Base interactions energy: -376.791
where: short stacking energy: -145.120
Base-Backbone interact. energy: -0.151
local terms energy: -141.466040
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -24.175
flat angles C4'-P-C4' energy: -33.221
flat angles P-C4'-P energy: -19.250
tors. eta vs tors. theta energy: -43.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -486.700691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.700691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.700691 (E_RNA)
where:
Base-Base interactions energy: -346.952
where: short stacking energy: -133.934
Base-Backbone interact. energy: -0.239
local terms energy: -139.509960
where:
bonds (distance) C4'-P energy: -21.442
bonds (distance) P-C4' energy: -25.666
flat angles C4'-P-C4' energy: -25.095
flat angles P-C4'-P energy: -21.853
tors. eta vs tors. theta energy: -45.454
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: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -560.935526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.935526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.935526 (E_RNA)
where:
Base-Base interactions energy: -406.310
where: short stacking energy: -161.146
Base-Backbone interact. energy: -0.583
local terms energy: -154.042408
where:
bonds (distance) C4'-P energy: -23.067
bonds (distance) P-C4' energy: -30.666
flat angles C4'-P-C4' energy: -31.040
flat angles P-C4'-P energy: -23.637
tors. eta vs tors. theta energy: -45.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -555.323744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.323744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.323744 (E_RNA)
where:
Base-Base interactions energy: -399.989
where: short stacking energy: -158.040
Base-Backbone interact. energy: -0.281
local terms energy: -155.053139
where:
bonds (distance) C4'-P energy: -26.754
bonds (distance) P-C4' energy: -27.216
flat angles C4'-P-C4' energy: -30.798
flat angles P-C4'-P energy: -22.257
tors. eta vs tors. theta energy: -48.027
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: 10
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -539.483981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.483981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.483981 (E_RNA)
where:
Base-Base interactions energy: -389.716
where: short stacking energy: -152.609
Base-Backbone interact. energy: -0.427
local terms energy: -149.340259
where:
bonds (distance) C4'-P energy: -25.562
bonds (distance) P-C4' energy: -28.711
flat angles C4'-P-C4' energy: -25.246
flat angles P-C4'-P energy: -23.118
tors. eta vs tors. theta energy: -46.703
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: 5
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -547.271520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.271520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.271520 (E_RNA)
where:
Base-Base interactions energy: -395.363
where: short stacking energy: -151.691
Base-Backbone interact. energy: -0.309
local terms energy: -151.599576
where:
bonds (distance) C4'-P energy: -24.547
bonds (distance) P-C4' energy: -29.530
flat angles C4'-P-C4' energy: -31.891
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -47.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -531.011267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.011267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.011267 (E_RNA)
where:
Base-Base interactions energy: -389.049
where: short stacking energy: -149.923
Base-Backbone interact. energy: -0.847
local terms energy: -141.115815
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -25.523
flat angles C4'-P-C4' energy: -30.965
flat angles P-C4'-P energy: -20.133
tors. eta vs tors. theta energy: -44.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -544.615186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.615186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.615186 (E_RNA)
where:
Base-Base interactions energy: -398.806
where: short stacking energy: -157.245
Base-Backbone interact. energy: -0.101
local terms energy: -145.708175
where:
bonds (distance) C4'-P energy: -27.658
bonds (distance) P-C4' energy: -22.805
flat angles C4'-P-C4' energy: -30.616
flat angles P-C4'-P energy: -19.071
tors. eta vs tors. theta energy: -45.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -510.087148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.087148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.087148 (E_RNA)
where:
Base-Base interactions energy: -378.703
where: short stacking energy: -143.044
Base-Backbone interact. energy: -0.485
local terms energy: -130.898867
where:
bonds (distance) C4'-P energy: -24.804
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -26.121
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -43.683
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: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -521.384260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.384260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.384260 (E_RNA)
where:
Base-Base interactions energy: -381.928
where: short stacking energy: -144.619
Base-Backbone interact. energy: -0.929
local terms energy: -138.527664
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -31.406
flat angles P-C4'-P energy: -21.165
tors. eta vs tors. theta energy: -44.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -508.263784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.263784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.263784 (E_RNA)
where:
Base-Base interactions energy: -371.499
where: short stacking energy: -144.584
Base-Backbone interact. energy: -0.444
local terms energy: -136.321417
where:
bonds (distance) C4'-P energy: -26.004
bonds (distance) P-C4' energy: -22.336
flat angles C4'-P-C4' energy: -29.271
flat angles P-C4'-P energy: -17.676
tors. eta vs tors. theta energy: -41.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -482.719784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.719784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.719784 (E_RNA)
where:
Base-Base interactions energy: -358.248
where: short stacking energy: -129.437
Base-Backbone interact. energy: -0.197
local terms energy: -124.274582
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -22.604
flat angles P-C4'-P energy: -21.399
tors. eta vs tors. theta energy: -41.049
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: 6
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -564.943748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.943748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.943748 (E_RNA)
where:
Base-Base interactions energy: -405.211
where: short stacking energy: -161.338
Base-Backbone interact. energy: -0.021
local terms energy: -159.711181
where:
bonds (distance) C4'-P energy: -29.434
bonds (distance) P-C4' energy: -29.401
flat angles C4'-P-C4' energy: -32.719
flat angles P-C4'-P energy: -19.806
tors. eta vs tors. theta energy: -48.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -560.263739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.263739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.263739 (E_RNA)
where:
Base-Base interactions energy: -409.531
where: short stacking energy: -162.828
Base-Backbone interact. energy: -0.228
local terms energy: -150.504446
where:
bonds (distance) C4'-P energy: -27.392
bonds (distance) P-C4' energy: -22.138
flat angles C4'-P-C4' energy: -29.452
flat angles P-C4'-P energy: -23.381
tors. eta vs tors. theta energy: -48.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -549.684161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.684161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.684161 (E_RNA)
where:
Base-Base interactions energy: -395.686
where: short stacking energy: -152.376
Base-Backbone interact. energy: -0.466
local terms energy: -153.532055
where:
bonds (distance) C4'-P energy: -29.395
bonds (distance) P-C4' energy: -29.351
flat angles C4'-P-C4' energy: -25.923
flat angles P-C4'-P energy: -22.509
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: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -535.669820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.669820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.669820 (E_RNA)
where:
Base-Base interactions energy: -396.821
where: short stacking energy: -150.269
Base-Backbone interact. energy: 0.988
local terms energy: -139.836699
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -27.351
flat angles C4'-P-C4' energy: -26.998
flat angles P-C4'-P energy: -22.786
tors. eta vs tors. theta energy: -44.348
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: 9
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -532.887976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.887976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.887976 (E_RNA)
where:
Base-Base interactions energy: -384.836
where: short stacking energy: -154.257
Base-Backbone interact. energy: -0.004
local terms energy: -148.048151
where:
bonds (distance) C4'-P energy: -22.412
bonds (distance) P-C4' energy: -27.426
flat angles C4'-P-C4' energy: -31.162
flat angles P-C4'-P energy: -20.887
tors. eta vs tors. theta energy: -46.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -536.780592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.780592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.780592 (E_RNA)
where:
Base-Base interactions energy: -402.575
where: short stacking energy: -151.106
Base-Backbone interact. energy: -0.595
local terms energy: -133.610624
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -23.558
flat angles C4'-P-C4' energy: -31.996
flat angles P-C4'-P energy: -19.311
tors. eta vs tors. theta energy: -46.566
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: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -527.307448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.307448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.307448 (E_RNA)
where:
Base-Base interactions energy: -381.911
where: short stacking energy: -148.057
Base-Backbone interact. energy: -0.180
local terms energy: -145.215895
where:
bonds (distance) C4'-P energy: -25.864
bonds (distance) P-C4' energy: -25.322
flat angles C4'-P-C4' energy: -26.290
flat angles P-C4'-P energy: -22.463
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: 8, replica: 2
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -528.363122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.363122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.363122 (E_RNA)
where:
Base-Base interactions energy: -383.025
where: short stacking energy: -142.182
Base-Backbone interact. energy: -0.011
local terms energy: -145.326831
where:
bonds (distance) C4'-P energy: -26.453
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -30.982
flat angles P-C4'-P energy: -22.236
tors. eta vs tors. theta energy: -41.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -497.745546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.745546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.745546 (E_RNA)
where:
Base-Base interactions energy: -364.427
where: short stacking energy: -135.883
Base-Backbone interact. energy: -0.017
local terms energy: -133.301774
where:
bonds (distance) C4'-P energy: -25.504
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -28.263
flat angles P-C4'-P energy: -24.022
tors. eta vs tors. theta energy: -41.299
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: 10, replica: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -502.716362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.716362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.716362 (E_RNA)
where:
Base-Base interactions energy: -367.489
where: short stacking energy: -132.510
Base-Backbone interact. energy: -0.001
local terms energy: -135.226370
where:
bonds (distance) C4'-P energy: -23.931
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -27.223
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -43.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -570.864637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.864637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.864637 (E_RNA)
where:
Base-Base interactions energy: -408.145
where: short stacking energy: -163.785
Base-Backbone interact. energy: -1.560
local terms energy: -161.158956
where:
bonds (distance) C4'-P energy: -25.651
bonds (distance) P-C4' energy: -29.354
flat angles C4'-P-C4' energy: -34.073
flat angles P-C4'-P energy: -23.685
tors. eta vs tors. theta energy: -48.395
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: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -556.204305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.204305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.204305 (E_RNA)
where:
Base-Base interactions energy: -397.540
where: short stacking energy: -156.535
Base-Backbone interact. energy: -0.045
local terms energy: -158.619935
where:
bonds (distance) C4'-P energy: -29.767
bonds (distance) P-C4' energy: -28.070
flat angles C4'-P-C4' energy: -30.373
flat angles P-C4'-P energy: -22.063
tors. eta vs tors. theta energy: -48.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -557.975687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.975687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.975687 (E_RNA)
where:
Base-Base interactions energy: -402.789
where: short stacking energy: -158.273
Base-Backbone interact. energy: -0.817
local terms energy: -154.369095
where:
bonds (distance) C4'-P energy: -22.314
bonds (distance) P-C4' energy: -29.678
flat angles C4'-P-C4' energy: -32.601
flat angles P-C4'-P energy: -21.396
tors. eta vs tors. theta energy: -48.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -538.233146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.233146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.233146 (E_RNA)
where:
Base-Base interactions energy: -397.394
where: short stacking energy: -151.909
Base-Backbone interact. energy: -1.372
local terms energy: -139.466870
where:
bonds (distance) C4'-P energy: -25.584
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -27.447
flat angles P-C4'-P energy: -22.251
tors. eta vs tors. theta energy: -45.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -535.962693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.962693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.962693 (E_RNA)
where:
Base-Base interactions energy: -388.903
where: short stacking energy: -148.530
Base-Backbone interact. energy: -0.099
local terms energy: -146.960306
where:
bonds (distance) C4'-P energy: -26.395
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -29.850
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: -45.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -536.628717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.628717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.628717 (E_RNA)
where:
Base-Base interactions energy: -389.161
where: short stacking energy: -152.109
Base-Backbone interact. energy: 0.656
local terms energy: -148.123355
where:
bonds (distance) C4'-P energy: -22.858
bonds (distance) P-C4' energy: -26.976
flat angles C4'-P-C4' energy: -29.330
flat angles P-C4'-P energy: -22.254
tors. eta vs tors. theta energy: -46.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -522.858579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.858579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.858579 (E_RNA)
where:
Base-Base interactions energy: -382.950
where: short stacking energy: -149.979
Base-Backbone interact. energy: -0.000
local terms energy: -139.907779
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -27.244
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -47.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -502.304928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.304928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.304928 (E_RNA)
where:
Base-Base interactions energy: -379.269
where: short stacking energy: -144.196
Base-Backbone interact. energy: -0.105
local terms energy: -122.931607
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -26.779
flat angles P-C4'-P energy: -21.372
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: 9, replica: 2
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -511.147168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.147168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.147168 (E_RNA)
where:
Base-Base interactions energy: -388.774
where: short stacking energy: -151.277
Base-Backbone interact. energy: -0.317
local terms energy: -122.056067
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -27.710
flat angles P-C4'-P energy: -18.540
tors. eta vs tors. theta energy: -45.261
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: 7
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -529.347311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.347311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.347311 (E_RNA)
where:
Base-Base interactions energy: -384.632
where: short stacking energy: -153.101
Base-Backbone interact. energy: -0.864
local terms energy: -143.851270
where:
bonds (distance) C4'-P energy: -21.936
bonds (distance) P-C4' energy: -26.642
flat angles C4'-P-C4' energy: -30.091
flat angles P-C4'-P energy: -18.385
tors. eta vs tors. theta energy: -46.798
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: 6
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -557.702774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.702774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.702774 (E_RNA)
where:
Base-Base interactions energy: -400.149
where: short stacking energy: -157.871
Base-Backbone interact. energy: -0.977
local terms energy: -156.577120
where:
bonds (distance) C4'-P energy: -27.524
bonds (distance) P-C4' energy: -27.980
flat angles C4'-P-C4' energy: -29.599
flat angles P-C4'-P energy: -24.168
tors. eta vs tors. theta energy: -47.306
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: 174
Temperature: 0.950000
Total energy: -556.102505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.102505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.102505 (E_RNA)
where:
Base-Base interactions energy: -403.935
where: short stacking energy: -151.676
Base-Backbone interact. energy: -1.011
local terms energy: -151.156783
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -30.393
flat angles C4'-P-C4' energy: -26.835
flat angles P-C4'-P energy: -25.668
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: 3, replica: 10
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -550.813384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.813384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.813384 (E_RNA)
where:
Base-Base interactions energy: -404.222
where: short stacking energy: -156.116
Base-Backbone interact. energy: -0.617
local terms energy: -145.974431
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -30.907
flat angles C4'-P-C4' energy: -26.539
flat angles P-C4'-P energy: -19.468
tors. eta vs tors. theta energy: -48.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -538.914018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.914018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.914018 (E_RNA)
where:
Base-Base interactions energy: -392.790
where: short stacking energy: -156.738
Base-Backbone interact. energy: -0.245
local terms energy: -145.878737
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -28.674
flat angles C4'-P-C4' energy: -29.984
flat angles P-C4'-P energy: -20.639
tors. eta vs tors. theta energy: -45.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -537.906420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.906420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.906420 (E_RNA)
where:
Base-Base interactions energy: -380.725
where: short stacking energy: -152.031
Base-Backbone interact. energy: -0.400
local terms energy: -156.781292
where:
bonds (distance) C4'-P energy: -26.857
bonds (distance) P-C4' energy: -27.204
flat angles C4'-P-C4' energy: -32.246
flat angles P-C4'-P energy: -24.929
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: 6, replica: 9
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -525.958761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.958761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.958761 (E_RNA)
where:
Base-Base interactions energy: -386.411
where: short stacking energy: -147.912
Base-Backbone interact. energy: -0.219
local terms energy: -139.328646
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -30.729
flat angles P-C4'-P energy: -22.107
tors. eta vs tors. theta energy: -45.920
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: 4
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -519.291531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.291531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.291531 (E_RNA)
where:
Base-Base interactions energy: -380.999
where: short stacking energy: -154.583
Base-Backbone interact. energy: -0.009
local terms energy: -138.283408
where:
bonds (distance) C4'-P energy: -19.419
bonds (distance) P-C4' energy: -23.909
flat angles C4'-P-C4' energy: -28.295
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: -48.024
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: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -497.813853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.813853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.813853 (E_RNA)
where:
Base-Base interactions energy: -374.556
where: short stacking energy: -140.126
Base-Backbone interact. energy: -0.380
local terms energy: -122.878523
where:
bonds (distance) C4'-P energy: -22.113
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -24.080
flat angles P-C4'-P energy: -19.014
tors. eta vs tors. theta energy: -40.635
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: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -508.490560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.490560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.490560 (E_RNA)
where:
Base-Base interactions energy: -366.929
where: short stacking energy: -135.513
Base-Backbone interact. energy: -0.350
local terms energy: -141.211830
where:
bonds (distance) C4'-P energy: -28.129
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -29.255
flat angles P-C4'-P energy: -22.397
tors. eta vs tors. theta energy: -44.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -493.036256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.036256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.036256 (E_RNA)
where:
Base-Base interactions energy: -366.477
where: short stacking energy: -147.329
Base-Backbone interact. energy: 0.373
local terms energy: -126.932082
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -29.583
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -43.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -560.080673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.080673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.080673 (E_RNA)
where:
Base-Base interactions energy: -412.651
where: short stacking energy: -162.700
Base-Backbone interact. energy: -0.262
local terms energy: -147.167521
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -24.699
flat angles C4'-P-C4' energy: -32.620
flat angles P-C4'-P energy: -24.035
tors. eta vs tors. theta energy: -48.687
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: 2, replica: 10
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -564.717721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.717721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.717721 (E_RNA)
where:
Base-Base interactions energy: -407.583
where: short stacking energy: -157.238
Base-Backbone interact. energy: -1.992
local terms energy: -155.143474
where:
bonds (distance) C4'-P energy: -28.785
bonds (distance) P-C4' energy: -23.568
flat angles C4'-P-C4' energy: -33.916
flat angles P-C4'-P energy: -20.184
tors. eta vs tors. theta energy: -48.690
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: 5
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -549.901735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.901735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.901735 (E_RNA)
where:
Base-Base interactions energy: -401.412
where: short stacking energy: -153.552
Base-Backbone interact. energy: -1.172
local terms energy: -147.317751
where:
bonds (distance) C4'-P energy: -27.496
bonds (distance) P-C4' energy: -23.840
flat angles C4'-P-C4' energy: -29.217
flat angles P-C4'-P energy: -22.654
tors. eta vs tors. theta energy: -44.111
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: 4, replica: 8
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -544.243370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.243370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.243370 (E_RNA)
where:
Base-Base interactions energy: -391.765
where: short stacking energy: -147.881
Base-Backbone interact. energy: -0.156
local terms energy: -152.322244
where:
bonds (distance) C4'-P energy: -23.150
bonds (distance) P-C4' energy: -30.067
flat angles C4'-P-C4' energy: -31.174
flat angles P-C4'-P energy: -22.472
tors. eta vs tors. theta energy: -45.460
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: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -537.229505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.229505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.229505 (E_RNA)
where:
Base-Base interactions energy: -384.598
where: short stacking energy: -152.720
Base-Backbone interact. energy: 0.150
local terms energy: -152.781647
where:
bonds (distance) C4'-P energy: -25.769
bonds (distance) P-C4' energy: -30.178
flat angles C4'-P-C4' energy: -27.747
flat angles P-C4'-P energy: -23.002
tors. eta vs tors. theta energy: -46.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -521.418111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.418111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.418111 (E_RNA)
where:
Base-Base interactions energy: -375.722
where: short stacking energy: -143.230
Base-Backbone interact. energy: -0.294
local terms energy: -145.402347
where:
bonds (distance) C4'-P energy: -22.634
bonds (distance) P-C4' energy: -26.336
flat angles C4'-P-C4' energy: -33.352
flat angles P-C4'-P energy: -20.748
tors. eta vs tors. theta energy: -42.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -522.923388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.923388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.923388 (E_RNA)
where:
Base-Base interactions energy: -383.258
where: short stacking energy: -153.881
Base-Backbone interact. energy: -0.002
local terms energy: -139.663423
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -28.289
flat angles C4'-P-C4' energy: -26.588
flat angles P-C4'-P energy: -17.876
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: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -507.372010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.372010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.372010 (E_RNA)
where:
Base-Base interactions energy: -362.245
where: short stacking energy: -140.905
Base-Backbone interact. energy: -1.138
local terms energy: -143.989367
where:
bonds (distance) C4'-P energy: -28.390
bonds (distance) P-C4' energy: -23.255
flat angles C4'-P-C4' energy: -31.342
flat angles P-C4'-P energy: -18.402
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: 9, replica: 7
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -504.710769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.710769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.710769 (E_RNA)
where:
Base-Base interactions energy: -366.607
where: short stacking energy: -143.865
Base-Backbone interact. energy: 0.308
local terms energy: -138.411809
where:
bonds (distance) C4'-P energy: -26.927
bonds (distance) P-C4' energy: -21.628
flat angles C4'-P-C4' energy: -24.494
flat angles P-C4'-P energy: -21.862
tors. eta vs tors. theta energy: -43.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -493.148322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.148322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.148322 (E_RNA)
where:
Base-Base interactions energy: -367.630
where: short stacking energy: -141.361
Base-Backbone interact. energy: -0.897
local terms energy: -124.620927
where:
bonds (distance) C4'-P energy: -21.497
bonds (distance) P-C4' energy: -19.022
flat angles C4'-P-C4' energy: -23.143
flat angles P-C4'-P energy: -16.442
tors. eta vs tors. theta energy: -44.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -565.727296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.727296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.727296 (E_RNA)
where:
Base-Base interactions energy: -410.692
where: short stacking energy: -157.888
Base-Backbone interact. energy: -0.879
local terms energy: -154.156927
where:
bonds (distance) C4'-P energy: -27.335
bonds (distance) P-C4' energy: -27.242
flat angles C4'-P-C4' energy: -27.570
flat angles P-C4'-P energy: -25.012
tors. eta vs tors. theta energy: -46.997
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: 10
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -551.935250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.935250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.935250 (E_RNA)
where:
Base-Base interactions energy: -396.247
where: short stacking energy: -151.849
Base-Backbone interact. energy: -0.666
local terms energy: -155.021944
where:
bonds (distance) C4'-P energy: -26.317
bonds (distance) P-C4' energy: -26.459
flat angles C4'-P-C4' energy: -31.851
flat angles P-C4'-P energy: -24.266
tors. eta vs tors. theta energy: -46.129
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: 8
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -545.750966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.750966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.750966 (E_RNA)
where:
Base-Base interactions energy: -389.751
where: short stacking energy: -155.123
Base-Backbone interact. energy: -0.002
local terms energy: -155.997994
where:
bonds (distance) C4'-P energy: -26.451
bonds (distance) P-C4' energy: -26.067
flat angles C4'-P-C4' energy: -32.640
flat angles P-C4'-P energy: -27.437
tors. eta vs tors. theta energy: -43.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -537.917226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.917226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.917226 (E_RNA)
where:
Base-Base interactions energy: -391.303
where: short stacking energy: -152.147
Base-Backbone interact. energy: -1.122
local terms energy: -145.492152
where:
bonds (distance) C4'-P energy: -22.219
bonds (distance) P-C4' energy: -29.349
flat angles C4'-P-C4' energy: -28.124
flat angles P-C4'-P energy: -19.970
tors. eta vs tors. theta energy: -45.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -529.665752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.665752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.665752 (E_RNA)
where:
Base-Base interactions energy: -384.373
where: short stacking energy: -151.353
Base-Backbone interact. energy: 0.400
local terms energy: -145.693316
where:
bonds (distance) C4'-P energy: -27.708
bonds (distance) P-C4' energy: -29.766
flat angles C4'-P-C4' energy: -26.799
flat angles P-C4'-P energy: -20.674
tors. eta vs tors. theta energy: -40.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -530.928647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.928647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.928647 (E_RNA)
where:
Base-Base interactions energy: -393.088
where: short stacking energy: -156.383
Base-Backbone interact. energy: -0.241
local terms energy: -137.599473
where:
bonds (distance) C4'-P energy: -21.401
bonds (distance) P-C4' energy: -24.967
flat angles C4'-P-C4' energy: -26.562
flat angles P-C4'-P energy: -19.888
tors. eta vs tors. theta energy: -44.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -520.665865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.665865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.665865 (E_RNA)
where:
Base-Base interactions energy: -380.147
where: short stacking energy: -145.813
Base-Backbone interact. energy: -1.518
local terms energy: -139.000963
where:
bonds (distance) C4'-P energy: -22.350
bonds (distance) P-C4' energy: -24.370
flat angles C4'-P-C4' energy: -25.988
flat angles P-C4'-P energy: -22.061
tors. eta vs tors. theta energy: -44.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -505.234180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.234180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.234180 (E_RNA)
where:
Base-Base interactions energy: -356.934
where: short stacking energy: -140.669
Base-Backbone interact. energy: -0.001
local terms energy: -148.298848
where:
bonds (distance) C4'-P energy: -29.699
bonds (distance) P-C4' energy: -26.162
flat angles C4'-P-C4' energy: -29.021
flat angles P-C4'-P energy: -20.837
tors. eta vs tors. theta energy: -42.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -503.193493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.193493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.193493 (E_RNA)
where:
Base-Base interactions energy: -366.367
where: short stacking energy: -150.506
Base-Backbone interact. energy: -0.169
local terms energy: -136.657816
where:
bonds (distance) C4'-P energy: -24.866
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -27.157
flat angles P-C4'-P energy: -17.290
tors. eta vs tors. theta energy: -47.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -494.190692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.190692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.190692 (E_RNA)
where:
Base-Base interactions energy: -373.286
where: short stacking energy: -143.347
Base-Backbone interact. energy: 0.066
local terms energy: -120.970780
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -17.172
tors. eta vs tors. theta energy: -46.716
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: 177
Temperature: 0.900000
Total energy: -560.875792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.875792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.875792 (E_RNA)
where:
Base-Base interactions energy: -402.333
where: short stacking energy: -164.769
Base-Backbone interact. energy: -0.739
local terms energy: -157.803727
where:
bonds (distance) C4'-P energy: -27.426
bonds (distance) P-C4' energy: -25.207
flat angles C4'-P-C4' energy: -31.205
flat angles P-C4'-P energy: -24.882
tors. eta vs tors. theta energy: -49.083
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: 8
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -551.076033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.076033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.076033 (E_RNA)
where:
Base-Base interactions energy: -394.302
where: short stacking energy: -151.534
Base-Backbone interact. energy: -0.526
local terms energy: -156.247676
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.249
flat angles C4'-P-C4' energy: -28.922
flat angles P-C4'-P energy: -26.121
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: 3, replica: 10
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -557.297091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.297091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.297091 (E_RNA)
where:
Base-Base interactions energy: -406.192
where: short stacking energy: -158.122
Base-Backbone interact. energy: -1.480
local terms energy: -149.624924
where:
bonds (distance) C4'-P energy: -27.686
bonds (distance) P-C4' energy: -26.505
flat angles C4'-P-C4' energy: -28.368
flat angles P-C4'-P energy: -22.168
tors. eta vs tors. theta energy: -44.897
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: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -541.337549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.337549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.337549 (E_RNA)
where:
Base-Base interactions energy: -395.178
where: short stacking energy: -148.152
Base-Backbone interact. energy: -0.325
local terms energy: -145.834235
where:
bonds (distance) C4'-P energy: -21.279
bonds (distance) P-C4' energy: -29.834
flat angles C4'-P-C4' energy: -26.457
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: -47.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -540.347765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.347765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.347765 (E_RNA)
where:
Base-Base interactions energy: -392.978
where: short stacking energy: -155.708
Base-Backbone interact. energy: -0.819
local terms energy: -146.551252
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -33.546
flat angles P-C4'-P energy: -20.768
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: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -527.806826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.806826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.806826 (E_RNA)
where:
Base-Base interactions energy: -376.519
where: short stacking energy: -144.942
Base-Backbone interact. energy: -0.004
local terms energy: -151.284079
where:
bonds (distance) C4'-P energy: -29.702
bonds (distance) P-C4' energy: -30.564
flat angles C4'-P-C4' energy: -25.592
flat angles P-C4'-P energy: -20.213
tors. eta vs tors. theta energy: -45.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -539.182705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.182705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.182705 (E_RNA)
where:
Base-Base interactions energy: -396.254
where: short stacking energy: -159.365
Base-Backbone interact. energy: -0.041
local terms energy: -142.887363
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -26.267
flat angles C4'-P-C4' energy: -28.220
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -46.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -514.656726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.656726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.656726 (E_RNA)
where:
Base-Base interactions energy: -377.318
where: short stacking energy: -147.105
Base-Backbone interact. energy: -0.011
local terms energy: -137.327719
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -22.847
flat angles C4'-P-C4' energy: -25.044
flat angles P-C4'-P energy: -22.369
tors. eta vs tors. theta energy: -44.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -508.352333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.352333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.352333 (E_RNA)
where:
Base-Base interactions energy: -373.386
where: short stacking energy: -146.685
Base-Backbone interact. energy: -0.986
local terms energy: -133.980793
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -23.833
flat angles C4'-P-C4' energy: -29.052
flat angles P-C4'-P energy: -18.316
tors. eta vs tors. theta energy: -41.141
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: 7
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -481.141423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.141423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.141423 (E_RNA)
where:
Base-Base interactions energy: -359.233
where: short stacking energy: -133.948
Base-Backbone interact. energy: 1.518
local terms energy: -123.426295
where:
bonds (distance) C4'-P energy: -23.695
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -25.924
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -43.629
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: 1, replica: 8
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -557.358701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.358701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.358701 (E_RNA)
where:
Base-Base interactions energy: -403.845
where: short stacking energy: -160.988
Base-Backbone interact. energy: -0.497
local terms energy: -153.016172
where:
bonds (distance) C4'-P energy: -27.265
bonds (distance) P-C4' energy: -26.581
flat angles C4'-P-C4' energy: -28.943
flat angles P-C4'-P energy: -24.775
tors. eta vs tors. theta energy: -45.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -561.117825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.117825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.117825 (E_RNA)
where:
Base-Base interactions energy: -402.779
where: short stacking energy: -157.521
Base-Backbone interact. energy: -0.051
local terms energy: -158.288680
where:
bonds (distance) C4'-P energy: -31.050
bonds (distance) P-C4' energy: -29.620
flat angles C4'-P-C4' energy: -33.513
flat angles P-C4'-P energy: -21.356
tors. eta vs tors. theta energy: -42.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -553.344586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.344586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.344586 (E_RNA)
where:
Base-Base interactions energy: -398.871
where: short stacking energy: -153.457
Base-Backbone interact. energy: -0.001
local terms energy: -154.472023
where:
bonds (distance) C4'-P energy: -29.378
bonds (distance) P-C4' energy: -25.400
flat angles C4'-P-C4' energy: -32.152
flat angles P-C4'-P energy: -21.631
tors. eta vs tors. theta energy: -45.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -546.227032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.227032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.227032 (E_RNA)
where:
Base-Base interactions energy: -390.754
where: short stacking energy: -147.631
Base-Backbone interact. energy: -0.870
local terms energy: -154.602765
where:
bonds (distance) C4'-P energy: -30.386
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -31.137
flat angles P-C4'-P energy: -25.798
tors. eta vs tors. theta energy: -43.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -529.556556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.556556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.556556 (E_RNA)
where:
Base-Base interactions energy: -390.225
where: short stacking energy: -151.739
Base-Backbone interact. energy: -0.129
local terms energy: -139.202776
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -26.297
flat angles C4'-P-C4' energy: -30.448
flat angles P-C4'-P energy: -17.311
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: 6, replica: 5
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -528.661599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.661599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.661599 (E_RNA)
where:
Base-Base interactions energy: -387.604
where: short stacking energy: -157.203
Base-Backbone interact. energy: -0.024
local terms energy: -141.033574
where:
bonds (distance) C4'-P energy: -27.847
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -29.731
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -47.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -518.108589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.108589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.108589 (E_RNA)
where:
Base-Base interactions energy: -374.120
where: short stacking energy: -144.935
Base-Backbone interact. energy: -0.421
local terms energy: -143.568393
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -25.157
flat angles C4'-P-C4' energy: -29.900
flat angles P-C4'-P energy: -23.106
tors. eta vs tors. theta energy: -44.101
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: 8, replica: 3
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -510.459783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.459783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.459783 (E_RNA)
where:
Base-Base interactions energy: -380.141
where: short stacking energy: -144.361
Base-Backbone interact. energy: -0.464
local terms energy: -129.854585
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -26.513
flat angles P-C4'-P energy: -16.600
tors. eta vs tors. theta energy: -45.109
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: 2
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -505.294572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.294572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.294572 (E_RNA)
where:
Base-Base interactions energy: -371.655
where: short stacking energy: -140.224
Base-Backbone interact. energy: -0.357
local terms energy: -133.281886
where:
bonds (distance) C4'-P energy: -23.220
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -30.578
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -43.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -489.409151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.409151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.409151 (E_RNA)
where:
Base-Base interactions energy: -358.598
where: short stacking energy: -137.788
Base-Backbone interact. energy: -0.090
local terms energy: -130.721614
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -22.254
flat angles C4'-P-C4' energy: -30.218
flat angles P-C4'-P energy: -17.787
tors. eta vs tors. theta energy: -41.001
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: 8
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -560.506640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.506640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.506640 (E_RNA)
where:
Base-Base interactions energy: -403.074
where: short stacking energy: -158.807
Base-Backbone interact. energy: -0.267
local terms energy: -157.166114
where:
bonds (distance) C4'-P energy: -30.349
bonds (distance) P-C4' energy: -26.713
flat angles C4'-P-C4' energy: -31.666
flat angles P-C4'-P energy: -21.941
tors. eta vs tors. theta energy: -46.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -567.064723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.064723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.064723 (E_RNA)
where:
Base-Base interactions energy: -405.424
where: short stacking energy: -156.637
Base-Backbone interact. energy: -1.148
local terms energy: -160.492703
where:
bonds (distance) C4'-P energy: -31.358
bonds (distance) P-C4' energy: -26.689
flat angles C4'-P-C4' energy: -28.736
flat angles P-C4'-P energy: -26.740
tors. eta vs tors. theta energy: -46.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -546.257656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.257656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.257656 (E_RNA)
where:
Base-Base interactions energy: -398.132
where: short stacking energy: -158.577
Base-Backbone interact. energy: 1.110
local terms energy: -149.235039
where:
bonds (distance) C4'-P energy: -26.297
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -28.185
flat angles P-C4'-P energy: -23.757
tors. eta vs tors. theta energy: -48.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -537.776214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.776214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.776214 (E_RNA)
where:
Base-Base interactions energy: -389.723
where: short stacking energy: -148.974
Base-Backbone interact. energy: -0.130
local terms energy: -147.923680
where:
bonds (distance) C4'-P energy: -24.266
bonds (distance) P-C4' energy: -27.626
flat angles C4'-P-C4' energy: -29.208
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -45.696
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: 179
Temperature: 1.100000
Total energy: -544.563338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.563338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.563338 (E_RNA)
where:
Base-Base interactions energy: -391.483
where: short stacking energy: -151.567
Base-Backbone interact. energy: -0.430
local terms energy: -152.650500
where:
bonds (distance) C4'-P energy: -24.483
bonds (distance) P-C4' energy: -28.985
flat angles C4'-P-C4' energy: -33.406
flat angles P-C4'-P energy: -19.604
tors. eta vs tors. theta energy: -46.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -521.657824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.657824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.657824 (E_RNA)
where:
Base-Base interactions energy: -384.626
where: short stacking energy: -144.806
Base-Backbone interact. energy: -0.767
local terms energy: -136.265008
where:
bonds (distance) C4'-P energy: -22.568
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -25.267
flat angles P-C4'-P energy: -20.598
tors. eta vs tors. theta energy: -45.269
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: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -528.781933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.781933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.781933 (E_RNA)
where:
Base-Base interactions energy: -377.444
where: short stacking energy: -145.103
Base-Backbone interact. energy: -0.171
local terms energy: -151.166663
where:
bonds (distance) C4'-P energy: -28.668
bonds (distance) P-C4' energy: -24.854
flat angles C4'-P-C4' energy: -30.227
flat angles P-C4'-P energy: -22.456
tors. eta vs tors. theta energy: -44.961
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: 8, replica: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -516.496770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.496770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.496770 (E_RNA)
where:
Base-Base interactions energy: -368.373
where: short stacking energy: -149.465
Base-Backbone interact. energy: -0.074
local terms energy: -148.049793
where:
bonds (distance) C4'-P energy: -26.217
bonds (distance) P-C4' energy: -27.032
flat angles C4'-P-C4' energy: -27.522
flat angles P-C4'-P energy: -22.505
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: 9, replica: 2
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -486.497347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.497347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.497347 (E_RNA)
where:
Base-Base interactions energy: -367.108
where: short stacking energy: -134.779
Base-Backbone interact. energy: -0.028
local terms energy: -119.361596
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -23.227
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -17.570
tors. eta vs tors. theta energy: -36.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -483.357368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.357368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.357368 (E_RNA)
where:
Base-Base interactions energy: -357.982
where: short stacking energy: -134.272
Base-Backbone interact. energy: -1.064
local terms energy: -124.311611
where:
bonds (distance) C4'-P energy: -25.855
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -29.720
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -39.665
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: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -563.851566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.851566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.851566 (E_RNA)
where:
Base-Base interactions energy: -407.053
where: short stacking energy: -160.341
Base-Backbone interact. energy: -0.795
local terms energy: -156.003344
where:
bonds (distance) C4'-P energy: -27.715
bonds (distance) P-C4' energy: -27.235
flat angles C4'-P-C4' energy: -30.068
flat angles P-C4'-P energy: -22.481
tors. eta vs tors. theta energy: -48.503
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: 2, replica: 8
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -560.174575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.174575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.174575 (E_RNA)
where:
Base-Base interactions energy: -405.709
where: short stacking energy: -159.070
Base-Backbone interact. energy: 0.117
local terms energy: -154.582581
where:
bonds (distance) C4'-P energy: -23.928
bonds (distance) P-C4' energy: -27.807
flat angles C4'-P-C4' energy: -30.447
flat angles P-C4'-P energy: -25.585
tors. eta vs tors. theta energy: -46.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -548.790654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.790654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.790654 (E_RNA)
where:
Base-Base interactions energy: -398.610
where: short stacking energy: -156.461
Base-Backbone interact. energy: -0.615
local terms energy: -149.565226
where:
bonds (distance) C4'-P energy: -24.970
bonds (distance) P-C4' energy: -25.622
flat angles C4'-P-C4' energy: -30.567
flat angles P-C4'-P energy: -21.066
tors. eta vs tors. theta energy: -47.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -544.280425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.280425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.280425 (E_RNA)
where:
Base-Base interactions energy: -381.282
where: short stacking energy: -153.521
Base-Backbone interact. energy: -0.712
local terms energy: -162.286189
where:
bonds (distance) C4'-P energy: -26.892
bonds (distance) P-C4' energy: -30.717
flat angles C4'-P-C4' energy: -32.593
flat angles P-C4'-P energy: -24.466
tors. eta vs tors. theta energy: -47.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -527.908599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.908599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.908599 (E_RNA)
where:
Base-Base interactions energy: -383.749
where: short stacking energy: -146.917
Base-Backbone interact. energy: -0.105
local terms energy: -144.054070
where:
bonds (distance) C4'-P energy: -26.474
bonds (distance) P-C4' energy: -26.398
flat angles C4'-P-C4' energy: -28.060
flat angles P-C4'-P energy: -21.386
tors. eta vs tors. theta energy: -41.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -516.924178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.924178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.924178 (E_RNA)
where:
Base-Base interactions energy: -387.105
where: short stacking energy: -150.848
Base-Backbone interact. energy: -0.004
local terms energy: -129.815865
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -28.167
flat angles P-C4'-P energy: -19.624
tors. eta vs tors. theta energy: -40.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -517.326811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.326811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.326811 (E_RNA)
where:
Base-Base interactions energy: -381.649
where: short stacking energy: -147.559
Base-Backbone interact. energy: -0.761
local terms energy: -134.916897
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -26.475
flat angles P-C4'-P energy: -20.606
tors. eta vs tors. theta energy: -47.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -504.796932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.796932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.796932 (E_RNA)
where:
Base-Base interactions energy: -374.667
where: short stacking energy: -146.020
Base-Backbone interact. energy: -0.060
local terms energy: -130.069960
where:
bonds (distance) C4'-P energy: -24.068
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -29.636
flat angles P-C4'-P energy: -14.873
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: 9, replica: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -503.946932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.946932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.946932 (E_RNA)
where:
Base-Base interactions energy: -372.905
where: short stacking energy: -145.899
Base-Backbone interact. energy: -0.402
local terms energy: -130.639510
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -27.793
flat angles P-C4'-P energy: -19.527
tors. eta vs tors. theta energy: -46.401
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: 180
Temperature: 1.350000
Total energy: -510.476521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.476521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.476521 (E_RNA)
where:
Base-Base interactions energy: -383.859
where: short stacking energy: -149.177
Base-Backbone interact. energy: -0.000
local terms energy: -126.617362
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -24.478
flat angles P-C4'-P energy: -21.116
tors. eta vs tors. theta energy: -46.500
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: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -563.244610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.244610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.244610 (E_RNA)
where:
Base-Base interactions energy: -404.101
where: short stacking energy: -158.794
Base-Backbone interact. energy: -2.670
local terms energy: -156.474071
where:
bonds (distance) C4'-P energy: -27.839
bonds (distance) P-C4' energy: -28.991
flat angles C4'-P-C4' energy: -28.200
flat angles P-C4'-P energy: -23.112
tors. eta vs tors. theta energy: -48.332
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: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -556.867831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.867831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.867831 (E_RNA)
where:
Base-Base interactions energy: -394.023
where: short stacking energy: -151.945
Base-Backbone interact. energy: -0.001
local terms energy: -162.843767
where:
bonds (distance) C4'-P energy: -32.677
bonds (distance) P-C4' energy: -29.281
flat angles C4'-P-C4' energy: -27.782
flat angles P-C4'-P energy: -23.274
tors. eta vs tors. theta energy: -49.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -547.781074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.781074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.781074 (E_RNA)
where:
Base-Base interactions energy: -389.152
where: short stacking energy: -151.469
Base-Backbone interact. energy: -1.294
local terms energy: -157.335435
where:
bonds (distance) C4'-P energy: -29.591
bonds (distance) P-C4' energy: -29.117
flat angles C4'-P-C4' energy: -29.147
flat angles P-C4'-P energy: -22.324
tors. eta vs tors. theta energy: -47.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -531.264668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.264668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.264668 (E_RNA)
where:
Base-Base interactions energy: -384.196
where: short stacking energy: -145.358
Base-Backbone interact. energy: -0.003
local terms energy: -147.066260
where:
bonds (distance) C4'-P energy: -27.180
bonds (distance) P-C4' energy: -24.294
flat angles C4'-P-C4' energy: -28.563
flat angles P-C4'-P energy: -23.098
tors. eta vs tors. theta energy: -43.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -537.753032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.753032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.753032 (E_RNA)
where:
Base-Base interactions energy: -385.546
where: short stacking energy: -150.936
Base-Backbone interact. energy: -0.616
local terms energy: -151.590868
where:
bonds (distance) C4'-P energy: -26.623
bonds (distance) P-C4' energy: -28.604
flat angles C4'-P-C4' energy: -30.543
flat angles P-C4'-P energy: -19.239
tors. eta vs tors. theta energy: -46.581
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: 5
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -526.340770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.340770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.340770 (E_RNA)
where:
Base-Base interactions energy: -385.682
where: short stacking energy: -151.826
Base-Backbone interact. energy: -0.005
local terms energy: -140.654090
where:
bonds (distance) C4'-P energy: -25.403
bonds (distance) P-C4' energy: -29.837
flat angles C4'-P-C4' energy: -23.798
flat angles P-C4'-P energy: -16.271
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: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -518.899129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.899129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.899129 (E_RNA)
where:
Base-Base interactions energy: -378.192
where: short stacking energy: -148.365
Base-Backbone interact. energy: -1.920
local terms energy: -138.787185
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -19.223
flat angles C4'-P-C4' energy: -33.456
flat angles P-C4'-P energy: -23.769
tors. eta vs tors. theta energy: -43.628
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: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -509.081503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.081503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.081503 (E_RNA)
where:
Base-Base interactions energy: -363.028
where: short stacking energy: -138.247
Base-Backbone interact. energy: -0.013
local terms energy: -146.040978
where:
bonds (distance) C4'-P energy: -25.034
bonds (distance) P-C4' energy: -25.256
flat angles C4'-P-C4' energy: -31.586
flat angles P-C4'-P energy: -22.008
tors. eta vs tors. theta energy: -42.157
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: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -488.306242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.306242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.306242 (E_RNA)
where:
Base-Base interactions energy: -358.510
where: short stacking energy: -136.261
Base-Backbone interact. energy: -0.189
local terms energy: -129.607047
where:
bonds (distance) C4'-P energy: -26.258
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -25.317
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: -39.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -490.787242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.787242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.787242 (E_RNA)
where:
Base-Base interactions energy: -366.507
where: short stacking energy: -143.328
Base-Backbone interact. energy: 2.232
local terms energy: -126.511999
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -27.112
flat angles C4'-P-C4' energy: -28.466
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -41.401
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: 10
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -561.087067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.087067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.087067 (E_RNA)
where:
Base-Base interactions energy: -404.821
where: short stacking energy: -159.976
Base-Backbone interact. energy: -0.986
local terms energy: -155.280376
where:
bonds (distance) C4'-P energy: -20.809
bonds (distance) P-C4' energy: -30.120
flat angles C4'-P-C4' energy: -29.849
flat angles P-C4'-P energy: -25.972
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: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -552.809341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.809341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.809341 (E_RNA)
where:
Base-Base interactions energy: -398.726
where: short stacking energy: -149.660
Base-Backbone interact. energy: -0.652
local terms energy: -153.431426
where:
bonds (distance) C4'-P energy: -26.782
bonds (distance) P-C4' energy: -24.961
flat angles C4'-P-C4' energy: -30.048
flat angles P-C4'-P energy: -25.831
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: 3, replica: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -550.580968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.580968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.580968 (E_RNA)
where:
Base-Base interactions energy: -394.031
where: short stacking energy: -156.758
Base-Backbone interact. energy: -0.869
local terms energy: -155.680160
where:
bonds (distance) C4'-P energy: -28.916
bonds (distance) P-C4' energy: -28.368
flat angles C4'-P-C4' energy: -31.171
flat angles P-C4'-P energy: -18.512
tors. eta vs tors. theta energy: -48.714
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: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -546.964975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.964975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.964975 (E_RNA)
where:
Base-Base interactions energy: -399.511
where: short stacking energy: -158.823
Base-Backbone interact. energy: -1.416
local terms energy: -146.037486
where:
bonds (distance) C4'-P energy: -25.675
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -30.580
flat angles P-C4'-P energy: -24.816
tors. eta vs tors. theta energy: -47.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -537.407303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.407303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.407303 (E_RNA)
where:
Base-Base interactions energy: -382.918
where: short stacking energy: -141.101
Base-Backbone interact. energy: -1.575
local terms energy: -152.914306
where:
bonds (distance) C4'-P energy: -29.322
bonds (distance) P-C4' energy: -28.369
flat angles C4'-P-C4' energy: -27.406
flat angles P-C4'-P energy: -21.485
tors. eta vs tors. theta energy: -46.332
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: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -516.838758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.838758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.838758 (E_RNA)
where:
Base-Base interactions energy: -372.749
where: short stacking energy: -146.189
Base-Backbone interact. energy: -0.051
local terms energy: -144.038579
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -27.236
flat angles C4'-P-C4' energy: -25.385
flat angles P-C4'-P energy: -22.219
tors. eta vs tors. theta energy: -47.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -520.266160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.266160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.266160 (E_RNA)
where:
Base-Base interactions energy: -373.525
where: short stacking energy: -142.398
Base-Backbone interact. energy: -0.907
local terms energy: -145.834989
where:
bonds (distance) C4'-P energy: -24.378
bonds (distance) P-C4' energy: -26.316
flat angles C4'-P-C4' energy: -26.707
flat angles P-C4'-P energy: -21.290
tors. eta vs tors. theta energy: -47.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -526.674567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.674567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.674567 (E_RNA)
where:
Base-Base interactions energy: -381.481
where: short stacking energy: -148.786
Base-Backbone interact. energy: -1.289
local terms energy: -143.904994
where:
bonds (distance) C4'-P energy: -22.720
bonds (distance) P-C4' energy: -22.923
flat angles C4'-P-C4' energy: -28.435
flat angles P-C4'-P energy: -22.216
tors. eta vs tors. theta energy: -47.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -494.782403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.782403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.782403 (E_RNA)
where:
Base-Base interactions energy: -359.118
where: short stacking energy: -133.117
Base-Backbone interact. energy: -0.008
local terms energy: -135.655979
where:
bonds (distance) C4'-P energy: -24.829
bonds (distance) P-C4' energy: -27.122
flat angles C4'-P-C4' energy: -24.282
flat angles P-C4'-P energy: -19.576
tors. eta vs tors. theta energy: -39.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -487.443733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.443733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.443733 (E_RNA)
where:
Base-Base interactions energy: -352.835
where: short stacking energy: -140.336
Base-Backbone interact. energy: -0.025
local terms energy: -134.583957
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -25.984
flat angles C4'-P-C4' energy: -31.258
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -42.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -560.384481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.384481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.384481 (E_RNA)
where:
Base-Base interactions energy: -407.387
where: short stacking energy: -161.210
Base-Backbone interact. energy: -0.177
local terms energy: -152.820973
where:
bonds (distance) C4'-P energy: -26.657
bonds (distance) P-C4' energy: -27.975
flat angles C4'-P-C4' energy: -31.117
flat angles P-C4'-P energy: -19.306
tors. eta vs tors. theta energy: -47.765
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: 2, replica: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -547.032717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.032717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.032717 (E_RNA)
where:
Base-Base interactions energy: -388.003
where: short stacking energy: -152.215
Base-Backbone interact. energy: -0.356
local terms energy: -158.673413
where:
bonds (distance) C4'-P energy: -30.287
bonds (distance) P-C4' energy: -28.228
flat angles C4'-P-C4' energy: -33.336
flat angles P-C4'-P energy: -20.878
tors. eta vs tors. theta energy: -45.945
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: 3, replica: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -553.427631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.427631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.427631 (E_RNA)
where:
Base-Base interactions energy: -403.292
where: short stacking energy: -155.714
Base-Backbone interact. energy: -1.533
local terms energy: -148.602376
where:
bonds (distance) C4'-P energy: -25.427
bonds (distance) P-C4' energy: -26.528
flat angles C4'-P-C4' energy: -27.748
flat angles P-C4'-P energy: -22.587
tors. eta vs tors. theta energy: -46.314
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: 4, replica: 8
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -544.598724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.598724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.598724 (E_RNA)
where:
Base-Base interactions energy: -392.349
where: short stacking energy: -155.556
Base-Backbone interact. energy: -0.392
local terms energy: -151.857192
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -30.514
flat angles C4'-P-C4' energy: -30.911
flat angles P-C4'-P energy: -20.694
tors. eta vs tors. theta energy: -48.436
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: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -531.572417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.572417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.572417 (E_RNA)
where:
Base-Base interactions energy: -375.955
where: short stacking energy: -145.583
Base-Backbone interact. energy: -0.560
local terms energy: -155.057796
where:
bonds (distance) C4'-P energy: -24.652
bonds (distance) P-C4' energy: -31.350
flat angles C4'-P-C4' energy: -31.070
flat angles P-C4'-P energy: -20.934
tors. eta vs tors. theta energy: -47.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -513.920387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.920387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.920387 (E_RNA)
where:
Base-Base interactions energy: -377.812
where: short stacking energy: -149.480
Base-Backbone interact. energy: -0.005
local terms energy: -136.103542
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -29.275
flat angles P-C4'-P energy: -22.343
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: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -510.912659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.912659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.912659 (E_RNA)
where:
Base-Base interactions energy: -380.842
where: short stacking energy: -146.275
Base-Backbone interact. energy: 1.934
local terms energy: -132.004896
where:
bonds (distance) C4'-P energy: -21.847
bonds (distance) P-C4' energy: -25.052
flat angles C4'-P-C4' energy: -24.066
flat angles P-C4'-P energy: -18.689
tors. eta vs tors. theta energy: -42.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -524.289909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.289909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.289909 (E_RNA)
where:
Base-Base interactions energy: -378.300
where: short stacking energy: -149.233
Base-Backbone interact. energy: -0.607
local terms energy: -145.382411
where:
bonds (distance) C4'-P energy: -25.375
bonds (distance) P-C4' energy: -20.764
flat angles C4'-P-C4' energy: -27.535
flat angles P-C4'-P energy: -26.817
tors. eta vs tors. theta energy: -44.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -505.552574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.552574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.552574 (E_RNA)
where:
Base-Base interactions energy: -364.208
where: short stacking energy: -135.523
Base-Backbone interact. energy: -0.005
local terms energy: -141.339961
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -24.671
flat angles C4'-P-C4' energy: -30.952
flat angles P-C4'-P energy: -24.730
tors. eta vs tors. theta energy: -43.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -492.152193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.152193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.152193 (E_RNA)
where:
Base-Base interactions energy: -351.305
where: short stacking energy: -141.804
Base-Backbone interact. energy: -3.217
local terms energy: -137.629659
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -21.795
flat angles C4'-P-C4' energy: -29.402
flat angles P-C4'-P energy: -21.777
tors. eta vs tors. theta energy: -43.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -565.669994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.669994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.669994 (E_RNA)
where:
Base-Base interactions energy: -407.542
where: short stacking energy: -159.777
Base-Backbone interact. energy: -0.629
local terms energy: -157.498949
where:
bonds (distance) C4'-P energy: -25.997
bonds (distance) P-C4' energy: -31.615
flat angles C4'-P-C4' energy: -30.703
flat angles P-C4'-P energy: -21.567
tors. eta vs tors. theta energy: -47.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -554.246380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.246380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.246380 (E_RNA)
where:
Base-Base interactions energy: -404.045
where: short stacking energy: -159.524
Base-Backbone interact. energy: -0.239
local terms energy: -149.961682
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -26.917
flat angles C4'-P-C4' energy: -27.643
flat angles P-C4'-P energy: -23.449
tors. eta vs tors. theta energy: -47.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -549.788122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.788122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.788122 (E_RNA)
where:
Base-Base interactions energy: -398.304
where: short stacking energy: -152.962
Base-Backbone interact. energy: -0.299
local terms energy: -151.185103
where:
bonds (distance) C4'-P energy: -30.687
bonds (distance) P-C4' energy: -25.393
flat angles C4'-P-C4' energy: -33.161
flat angles P-C4'-P energy: -18.899
tors. eta vs tors. theta energy: -43.045
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: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -546.086564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.086564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.086564 (E_RNA)
where:
Base-Base interactions energy: -394.195
where: short stacking energy: -160.714
Base-Backbone interact. energy: -0.418
local terms energy: -151.473247
where:
bonds (distance) C4'-P energy: -26.481
bonds (distance) P-C4' energy: -25.934
flat angles C4'-P-C4' energy: -27.455
flat angles P-C4'-P energy: -24.522
tors. eta vs tors. theta energy: -47.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -527.663446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.663446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.663446 (E_RNA)
where:
Base-Base interactions energy: -383.521
where: short stacking energy: -144.125
Base-Backbone interact. energy: -1.795
local terms energy: -142.347448
where:
bonds (distance) C4'-P energy: -26.208
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -29.160
flat angles P-C4'-P energy: -19.636
tors. eta vs tors. theta energy: -45.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -520.508003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.508003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.508003 (E_RNA)
where:
Base-Base interactions energy: -384.199
where: short stacking energy: -146.005
Base-Backbone interact. energy: -0.016
local terms energy: -136.292948
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -26.617
flat angles C4'-P-C4' energy: -29.550
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -45.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -524.087594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.087594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.087594 (E_RNA)
where:
Base-Base interactions energy: -383.349
where: short stacking energy: -149.448
Base-Backbone interact. energy: -2.061
local terms energy: -138.677188
where:
bonds (distance) C4'-P energy: -24.670
bonds (distance) P-C4' energy: -20.980
flat angles C4'-P-C4' energy: -27.342
flat angles P-C4'-P energy: -21.527
tors. eta vs tors. theta energy: -44.158
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: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -516.650880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.650880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.650880 (E_RNA)
where:
Base-Base interactions energy: -376.412
where: short stacking energy: -142.960
Base-Backbone interact. energy: -0.941
local terms energy: -139.297910
where:
bonds (distance) C4'-P energy: -25.715
bonds (distance) P-C4' energy: -25.542
flat angles C4'-P-C4' energy: -24.608
flat angles P-C4'-P energy: -22.355
tors. eta vs tors. theta energy: -41.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -503.425216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.425216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.425216 (E_RNA)
where:
Base-Base interactions energy: -368.817
where: short stacking energy: -142.800
Base-Backbone interact. energy: -0.191
local terms energy: -134.417170
where:
bonds (distance) C4'-P energy: -25.301
bonds (distance) P-C4' energy: -24.759
flat angles C4'-P-C4' energy: -24.682
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -44.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -497.284821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.284821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.284821 (E_RNA)
where:
Base-Base interactions energy: -364.731
where: short stacking energy: -137.155
Base-Backbone interact. energy: 3.134
local terms energy: -135.688077
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -25.624
flat angles C4'-P-C4' energy: -29.861
flat angles P-C4'-P energy: -20.987
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: 1, replica: 10
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -557.614552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.614552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.614552 (E_RNA)
where:
Base-Base interactions energy: -404.491
where: short stacking energy: -158.280
Base-Backbone interact. energy: -1.031
local terms energy: -152.092297
where:
bonds (distance) C4'-P energy: -22.690
bonds (distance) P-C4' energy: -27.769
flat angles C4'-P-C4' energy: -29.744
flat angles P-C4'-P energy: -24.315
tors. eta vs tors. theta energy: -47.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -568.503780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.503780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.503780 (E_RNA)
where:
Base-Base interactions energy: -408.677
where: short stacking energy: -161.139
Base-Backbone interact. energy: -0.916
local terms energy: -158.911278
where:
bonds (distance) C4'-P energy: -31.412
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -29.709
flat angles P-C4'-P energy: -23.703
tors. eta vs tors. theta energy: -48.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -541.528168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.528168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.528168 (E_RNA)
where:
Base-Base interactions energy: -388.476
where: short stacking energy: -151.753
Base-Backbone interact. energy: -0.332
local terms energy: -152.720673
where:
bonds (distance) C4'-P energy: -24.781
bonds (distance) P-C4' energy: -25.915
flat angles C4'-P-C4' energy: -31.378
flat angles P-C4'-P energy: -22.674
tors. eta vs tors. theta energy: -47.974
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: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -547.604864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.604864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.604864 (E_RNA)
where:
Base-Base interactions energy: -395.267
where: short stacking energy: -155.151
Base-Backbone interact. energy: -0.097
local terms energy: -152.241346
where:
bonds (distance) C4'-P energy: -22.395
bonds (distance) P-C4' energy: -29.025
flat angles C4'-P-C4' energy: -34.145
flat angles P-C4'-P energy: -21.893
tors. eta vs tors. theta energy: -44.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -534.330476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.330476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.330476 (E_RNA)
where:
Base-Base interactions energy: -391.246
where: short stacking energy: -152.851
Base-Backbone interact. energy: -0.309
local terms energy: -142.774669
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -23.600
flat angles C4'-P-C4' energy: -30.897
flat angles P-C4'-P energy: -22.706
tors. eta vs tors. theta energy: -47.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -521.096356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.096356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.096356 (E_RNA)
where:
Base-Base interactions energy: -381.570
where: short stacking energy: -146.869
Base-Backbone interact. energy: -0.656
local terms energy: -138.870469
where:
bonds (distance) C4'-P energy: -27.816
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -30.262
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -41.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -511.924189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.924189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.924189 (E_RNA)
where:
Base-Base interactions energy: -371.170
where: short stacking energy: -141.705
Base-Backbone interact. energy: -0.003
local terms energy: -140.750969
where:
bonds (distance) C4'-P energy: -27.901
bonds (distance) P-C4' energy: -22.832
flat angles C4'-P-C4' energy: -28.734
flat angles P-C4'-P energy: -17.834
tors. eta vs tors. theta energy: -43.450
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: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -512.935952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.935952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.935952 (E_RNA)
where:
Base-Base interactions energy: -382.082
where: short stacking energy: -149.115
Base-Backbone interact. energy: 0.521
local terms energy: -131.375048
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -28.017
flat angles P-C4'-P energy: -20.838
tors. eta vs tors. theta energy: -48.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -506.666008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.666008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.666008 (E_RNA)
where:
Base-Base interactions energy: -373.540
where: short stacking energy: -144.431
Base-Backbone interact. energy: -0.061
local terms energy: -133.065129
where:
bonds (distance) C4'-P energy: -22.889
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -25.453
flat angles P-C4'-P energy: -20.513
tors. eta vs tors. theta energy: -43.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -494.595574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.595574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.595574 (E_RNA)
where:
Base-Base interactions energy: -374.466
where: short stacking energy: -148.087
Base-Backbone interact. energy: -0.068
local terms energy: -120.061788
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -23.685
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -45.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -567.852850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.852850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.852850 (E_RNA)
where:
Base-Base interactions energy: -411.762
where: short stacking energy: -160.915
Base-Backbone interact. energy: -1.428
local terms energy: -154.663096
where:
bonds (distance) C4'-P energy: -27.768
bonds (distance) P-C4' energy: -27.847
flat angles C4'-P-C4' energy: -31.250
flat angles P-C4'-P energy: -19.911
tors. eta vs tors. theta energy: -47.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -550.721738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.721738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.721738 (E_RNA)
where:
Base-Base interactions energy: -397.128
where: short stacking energy: -156.946
Base-Backbone interact. energy: -0.007
local terms energy: -153.586688
where:
bonds (distance) C4'-P energy: -27.515
bonds (distance) P-C4' energy: -29.297
flat angles C4'-P-C4' energy: -30.091
flat angles P-C4'-P energy: -22.583
tors. eta vs tors. theta energy: -44.100
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: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -541.931693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.931693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.931693 (E_RNA)
where:
Base-Base interactions energy: -389.099
where: short stacking energy: -150.520
Base-Backbone interact. energy: -0.143
local terms energy: -152.690317
where:
bonds (distance) C4'-P energy: -28.524
bonds (distance) P-C4' energy: -31.021
flat angles C4'-P-C4' energy: -26.434
flat angles P-C4'-P energy: -19.298
tors. eta vs tors. theta energy: -47.413
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: 9
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -535.784442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.784442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.784442 (E_RNA)
where:
Base-Base interactions energy: -390.326
where: short stacking energy: -148.294
Base-Backbone interact. energy: -1.731
local terms energy: -143.726796
where:
bonds (distance) C4'-P energy: -23.541
bonds (distance) P-C4' energy: -28.100
flat angles C4'-P-C4' energy: -24.064
flat angles P-C4'-P energy: -22.287
tors. eta vs tors. theta energy: -45.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -537.520998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.520998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.520998 (E_RNA)
where:
Base-Base interactions energy: -390.712
where: short stacking energy: -153.942
Base-Backbone interact. energy: -0.046
local terms energy: -146.763494
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -25.744
flat angles C4'-P-C4' energy: -30.210
flat angles P-C4'-P energy: -23.935
tors. eta vs tors. theta energy: -46.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -532.262659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.262659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.262659 (E_RNA)
where:
Base-Base interactions energy: -389.165
where: short stacking energy: -151.896
Base-Backbone interact. energy: -0.067
local terms energy: -143.030300
where:
bonds (distance) C4'-P energy: -23.873
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -28.074
flat angles P-C4'-P energy: -21.934
tors. eta vs tors. theta energy: -44.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -529.254544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.254544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.254544 (E_RNA)
where:
Base-Base interactions energy: -380.052
where: short stacking energy: -149.649
Base-Backbone interact. energy: -0.871
local terms energy: -148.330737
where:
bonds (distance) C4'-P energy: -26.358
bonds (distance) P-C4' energy: -27.202
flat angles C4'-P-C4' energy: -29.275
flat angles P-C4'-P energy: -22.885
tors. eta vs tors. theta energy: -42.611
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: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -510.021216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.021216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.021216 (E_RNA)
where:
Base-Base interactions energy: -381.007
where: short stacking energy: -150.140
Base-Backbone interact. energy: -0.222
local terms energy: -128.792240
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -28.188
flat angles P-C4'-P energy: -18.298
tors. eta vs tors. theta energy: -46.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -511.473477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.473477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.473477 (E_RNA)
where:
Base-Base interactions energy: -378.032
where: short stacking energy: -150.636
Base-Backbone interact. energy: -0.124
local terms energy: -133.317267
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -30.974
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -44.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -492.748400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.748400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.748400 (E_RNA)
where:
Base-Base interactions energy: -357.830
where: short stacking energy: -140.836
Base-Backbone interact. energy: -0.235
local terms energy: -134.683823
where:
bonds (distance) C4'-P energy: -27.281
bonds (distance) P-C4' energy: -22.378
flat angles C4'-P-C4' energy: -28.049
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: -41.046
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: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -559.593771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.593771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.593771 (E_RNA)
where:
Base-Base interactions energy: -398.846
where: short stacking energy: -154.966
Base-Backbone interact. energy: -0.879
local terms energy: -159.869117
where:
bonds (distance) C4'-P energy: -28.873
bonds (distance) P-C4' energy: -28.444
flat angles C4'-P-C4' energy: -32.442
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: -48.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -554.626233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.626233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.626233 (E_RNA)
where:
Base-Base interactions energy: -396.663
where: short stacking energy: -157.087
Base-Backbone interact. energy: -0.002
local terms energy: -157.960668
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -26.586
flat angles C4'-P-C4' energy: -31.664
flat angles P-C4'-P energy: -27.459
tors. eta vs tors. theta energy: -43.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -548.009731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.009731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.009731 (E_RNA)
where:
Base-Base interactions energy: -398.083
where: short stacking energy: -154.038
Base-Backbone interact. energy: -0.422
local terms energy: -149.504802
where:
bonds (distance) C4'-P energy: -24.024
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -30.782
flat angles P-C4'-P energy: -25.507
tors. eta vs tors. theta energy: -45.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -540.748699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.748699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.748699 (E_RNA)
where:
Base-Base interactions energy: -400.401
where: short stacking energy: -163.656
Base-Backbone interact. energy: -0.231
local terms energy: -140.116446
where:
bonds (distance) C4'-P energy: -20.324
bonds (distance) P-C4' energy: -22.863
flat angles C4'-P-C4' energy: -26.637
flat angles P-C4'-P energy: -23.056
tors. eta vs tors. theta energy: -47.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -532.882414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.882414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.882414 (E_RNA)
where:
Base-Base interactions energy: -393.745
where: short stacking energy: -147.562
Base-Backbone interact. energy: -1.119
local terms energy: -138.018229
where:
bonds (distance) C4'-P energy: -22.574
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -23.640
flat angles P-C4'-P energy: -21.796
tors. eta vs tors. theta energy: -45.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -538.833010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.833010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.833010 (E_RNA)
where:
Base-Base interactions energy: -397.317
where: short stacking energy: -158.690
Base-Backbone interact. energy: -0.029
local terms energy: -141.486276
where:
bonds (distance) C4'-P energy: -24.378
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -27.412
flat angles P-C4'-P energy: -18.657
tors. eta vs tors. theta energy: -46.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -522.808135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.808135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.808135 (E_RNA)
where:
Base-Base interactions energy: -378.600
where: short stacking energy: -145.552
Base-Backbone interact. energy: -0.003
local terms energy: -144.205355
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -24.840
flat angles C4'-P-C4' energy: -26.782
flat angles P-C4'-P energy: -25.660
tors. eta vs tors. theta energy: -47.171
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: 8, replica: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -521.468409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.468409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.468409 (E_RNA)
where:
Base-Base interactions energy: -381.347
where: short stacking energy: -152.177
Base-Backbone interact. energy: -0.015
local terms energy: -140.105937
where:
bonds (distance) C4'-P energy: -23.628
bonds (distance) P-C4' energy: -23.397
flat angles C4'-P-C4' energy: -29.527
flat angles P-C4'-P energy: -19.930
tors. eta vs tors. theta energy: -43.624
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: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -500.375948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.375948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.375948 (E_RNA)
where:
Base-Base interactions energy: -367.852
where: short stacking energy: -138.927
Base-Backbone interact. energy: -0.743
local terms energy: -131.781155
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -24.612
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -46.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -491.287817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.287817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.287817 (E_RNA)
where:
Base-Base interactions energy: -367.734
where: short stacking energy: -135.847
Base-Backbone interact. energy: -0.371
local terms energy: -123.182100
where:
bonds (distance) C4'-P energy: -24.676
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -27.506
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -45.771
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: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -561.639545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.639545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.639545 (E_RNA)
where:
Base-Base interactions energy: -402.939
where: short stacking energy: -154.261
Base-Backbone interact. energy: 0.173
local terms energy: -158.873405
where:
bonds (distance) C4'-P energy: -31.158
bonds (distance) P-C4' energy: -24.103
flat angles C4'-P-C4' energy: -33.064
flat angles P-C4'-P energy: -24.120
tors. eta vs tors. theta energy: -46.428
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: 10
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -552.866511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.866511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.866511 (E_RNA)
where:
Base-Base interactions energy: -395.434
where: short stacking energy: -160.769
Base-Backbone interact. energy: -1.622
local terms energy: -155.809675
where:
bonds (distance) C4'-P energy: -25.422
bonds (distance) P-C4' energy: -28.616
flat angles C4'-P-C4' energy: -32.461
flat angles P-C4'-P energy: -21.915
tors. eta vs tors. theta energy: -47.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -542.221398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.221398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.221398 (E_RNA)
where:
Base-Base interactions energy: -393.679
where: short stacking energy: -159.862
Base-Backbone interact. energy: -0.492
local terms energy: -148.050831
where:
bonds (distance) C4'-P energy: -23.622
bonds (distance) P-C4' energy: -24.982
flat angles C4'-P-C4' energy: -30.550
flat angles P-C4'-P energy: -22.812
tors. eta vs tors. theta energy: -46.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -535.311700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.311700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.311700 (E_RNA)
where:
Base-Base interactions energy: -390.036
where: short stacking energy: -149.842
Base-Backbone interact. energy: -1.104
local terms energy: -144.170953
where:
bonds (distance) C4'-P energy: -23.447
bonds (distance) P-C4' energy: -25.595
flat angles C4'-P-C4' energy: -30.270
flat angles P-C4'-P energy: -22.816
tors. eta vs tors. theta energy: -42.043
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: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -539.843022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.843022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.843022 (E_RNA)
where:
Base-Base interactions energy: -396.850
where: short stacking energy: -154.919
Base-Backbone interact. energy: -0.011
local terms energy: -142.982361
where:
bonds (distance) C4'-P energy: -26.553
bonds (distance) P-C4' energy: -23.974
flat angles C4'-P-C4' energy: -27.918
flat angles P-C4'-P energy: -16.313
tors. eta vs tors. theta energy: -48.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -534.392168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.392168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.392168 (E_RNA)
where:
Base-Base interactions energy: -392.740
where: short stacking energy: -155.713
Base-Backbone interact. energy: -0.293
local terms energy: -141.359210
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -27.334
flat angles C4'-P-C4' energy: -29.492
flat angles P-C4'-P energy: -22.256
tors. eta vs tors. theta energy: -45.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -521.259320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.259320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.259320 (E_RNA)
where:
Base-Base interactions energy: -378.400
where: short stacking energy: -146.012
Base-Backbone interact. energy: -1.660
local terms energy: -141.199660
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -28.931
flat angles P-C4'-P energy: -22.213
tors. eta vs tors. theta energy: -45.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -511.229607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.229607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.229607 (E_RNA)
where:
Base-Base interactions energy: -369.036
where: short stacking energy: -138.552
Base-Backbone interact. energy: -0.434
local terms energy: -141.759611
where:
bonds (distance) C4'-P energy: -24.946
bonds (distance) P-C4' energy: -26.984
flat angles C4'-P-C4' energy: -28.135
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -43.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -496.954027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.954027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.954027 (E_RNA)
where:
Base-Base interactions energy: -358.076
where: short stacking energy: -140.041
Base-Backbone interact. energy: -0.218
local terms energy: -138.659855
where:
bonds (distance) C4'-P energy: -26.200
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -28.167
flat angles P-C4'-P energy: -19.687
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: 10, replica: 2
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -498.229878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.229878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.229878 (E_RNA)
where:
Base-Base interactions energy: -361.487
where: short stacking energy: -136.889
Base-Backbone interact. energy: 0.280
local terms energy: -137.022583
where:
bonds (distance) C4'-P energy: -22.302
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -27.372
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: -43.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -562.779000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.779000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.779000 (E_RNA)
where:
Base-Base interactions energy: -402.618
where: short stacking energy: -160.349
Base-Backbone interact. energy: -0.239
local terms energy: -159.922135
where:
bonds (distance) C4'-P energy: -28.576
bonds (distance) P-C4' energy: -29.265
flat angles C4'-P-C4' energy: -32.431
flat angles P-C4'-P energy: -24.640
tors. eta vs tors. theta energy: -45.010
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: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -553.710730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.710730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.710730 (E_RNA)
where:
Base-Base interactions energy: -404.043
where: short stacking energy: -162.085
Base-Backbone interact. energy: -0.777
local terms energy: -148.890731
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -24.904
flat angles C4'-P-C4' energy: -33.122
flat angles P-C4'-P energy: -19.989
tors. eta vs tors. theta energy: -48.446
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: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -555.011283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.011283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.011283 (E_RNA)
where:
Base-Base interactions energy: -405.555
where: short stacking energy: -158.222
Base-Backbone interact. energy: -0.485
local terms energy: -148.971861
where:
bonds (distance) C4'-P energy: -24.317
bonds (distance) P-C4' energy: -28.335
flat angles C4'-P-C4' energy: -28.310
flat angles P-C4'-P energy: -22.130
tors. eta vs tors. theta energy: -45.880
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: 7
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -539.935037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.935037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.935037 (E_RNA)
where:
Base-Base interactions energy: -385.091
where: short stacking energy: -152.290
Base-Backbone interact. energy: -0.288
local terms energy: -154.555975
where:
bonds (distance) C4'-P energy: -26.062
bonds (distance) P-C4' energy: -26.949
flat angles C4'-P-C4' energy: -27.997
flat angles P-C4'-P energy: -26.010
tors. eta vs tors. theta energy: -47.538
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: 8
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -537.133521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.133521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.133521 (E_RNA)
where:
Base-Base interactions energy: -398.234
where: short stacking energy: -158.959
Base-Backbone interact. energy: -0.002
local terms energy: -138.897903
where:
bonds (distance) C4'-P energy: -23.829
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -26.895
flat angles P-C4'-P energy: -20.900
tors. eta vs tors. theta energy: -47.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -535.677905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.677905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.677905 (E_RNA)
where:
Base-Base interactions energy: -390.067
where: short stacking energy: -149.067
Base-Backbone interact. energy: 1.240
local terms energy: -146.850474
where:
bonds (distance) C4'-P energy: -27.438
bonds (distance) P-C4' energy: -29.239
flat angles C4'-P-C4' energy: -28.291
flat angles P-C4'-P energy: -20.116
tors. eta vs tors. theta energy: -41.767
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: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -524.689601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.689601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.689601 (E_RNA)
where:
Base-Base interactions energy: -391.040
where: short stacking energy: -146.951
Base-Backbone interact. energy: -0.004
local terms energy: -133.645549
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -26.489
flat angles C4'-P-C4' energy: -21.845
flat angles P-C4'-P energy: -20.582
tors. eta vs tors. theta energy: -44.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -507.612778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.612778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.612778 (E_RNA)
where:
Base-Base interactions energy: -368.702
where: short stacking energy: -148.731
Base-Backbone interact. energy: -0.324
local terms energy: -138.587511
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -29.296
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -41.420
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: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -501.709071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.709071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.709071 (E_RNA)
where:
Base-Base interactions energy: -374.079
where: short stacking energy: -139.236
Base-Backbone interact. energy: -0.230
local terms energy: -127.399479
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -28.862
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -44.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -508.566061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.566061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.566061 (E_RNA)
where:
Base-Base interactions energy: -371.048
where: short stacking energy: -148.903
Base-Backbone interact. energy: -0.374
local terms energy: -137.144828
where:
bonds (distance) C4'-P energy: -22.395
bonds (distance) P-C4' energy: -23.406
flat angles C4'-P-C4' energy: -28.318
flat angles P-C4'-P energy: -19.536
tors. eta vs tors. theta energy: -43.490
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: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -563.798526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.798526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.798526 (E_RNA)
where:
Base-Base interactions energy: -410.572
where: short stacking energy: -164.987
Base-Backbone interact. energy: -0.318
local terms energy: -152.907948
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -28.311
flat angles C4'-P-C4' energy: -33.228
flat angles P-C4'-P energy: -22.324
tors. eta vs tors. theta energy: -46.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -551.090331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.090331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.090331 (E_RNA)
where:
Base-Base interactions energy: -402.118
where: short stacking energy: -158.247
Base-Backbone interact. energy: -0.001
local terms energy: -148.970753
where:
bonds (distance) C4'-P energy: -25.226
bonds (distance) P-C4' energy: -28.505
flat angles C4'-P-C4' energy: -30.082
flat angles P-C4'-P energy: -20.247
tors. eta vs tors. theta energy: -44.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -539.540785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.540785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.540785 (E_RNA)
where:
Base-Base interactions energy: -386.528
where: short stacking energy: -144.574
Base-Backbone interact. energy: -0.196
local terms energy: -152.816226
where:
bonds (distance) C4'-P energy: -27.035
bonds (distance) P-C4' energy: -26.453
flat angles C4'-P-C4' energy: -31.291
flat angles P-C4'-P energy: -22.091
tors. eta vs tors. theta energy: -45.946
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: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -546.109853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.109853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.109853 (E_RNA)
where:
Base-Base interactions energy: -398.216
where: short stacking energy: -156.508
Base-Backbone interact. energy: -1.081
local terms energy: -146.812449
where:
bonds (distance) C4'-P energy: -28.531
bonds (distance) P-C4' energy: -24.986
flat angles C4'-P-C4' energy: -30.470
flat angles P-C4'-P energy: -20.720
tors. eta vs tors. theta energy: -42.104
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: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -539.379831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.379831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.379831 (E_RNA)
where:
Base-Base interactions energy: -389.060
where: short stacking energy: -152.910
Base-Backbone interact. energy: -0.649
local terms energy: -149.671213
where:
bonds (distance) C4'-P energy: -23.185
bonds (distance) P-C4' energy: -25.339
flat angles C4'-P-C4' energy: -32.153
flat angles P-C4'-P energy: -24.574
tors. eta vs tors. theta energy: -44.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -525.567717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.567717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.567717 (E_RNA)
where:
Base-Base interactions energy: -381.654
where: short stacking energy: -146.325
Base-Backbone interact. energy: -1.256
local terms energy: -142.657425
where:
bonds (distance) C4'-P energy: -22.523
bonds (distance) P-C4' energy: -25.927
flat angles C4'-P-C4' energy: -31.176
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -45.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -523.043105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.043105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.043105 (E_RNA)
where:
Base-Base interactions energy: -389.924
where: short stacking energy: -158.577
Base-Backbone interact. energy: -1.354
local terms energy: -131.765125
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -22.617
flat angles C4'-P-C4' energy: -26.690
flat angles P-C4'-P energy: -18.685
tors. eta vs tors. theta energy: -45.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -501.259634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.259634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.259634 (E_RNA)
where:
Base-Base interactions energy: -380.393
where: short stacking energy: -146.610
Base-Backbone interact. energy: -0.244
local terms energy: -120.622873
where:
bonds (distance) C4'-P energy: -22.747
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -27.290
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -42.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -497.357218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.357218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.357218 (E_RNA)
where:
Base-Base interactions energy: -371.907
where: short stacking energy: -135.238
Base-Backbone interact. energy: -1.393
local terms energy: -124.057576
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -25.586
flat angles P-C4'-P energy: -21.831
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: 10, replica: 2
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -501.908582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.908582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.908582 (E_RNA)
where:
Base-Base interactions energy: -369.940
where: short stacking energy: -147.033
Base-Backbone interact. energy: -0.076
local terms energy: -131.893222
where:
bonds (distance) C4'-P energy: -25.546
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -26.341
flat angles P-C4'-P energy: -19.948
tors. eta vs tors. theta energy: -41.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -566.823811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.823811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.823811 (E_RNA)
where:
Base-Base interactions energy: -413.537
where: short stacking energy: -163.132
Base-Backbone interact. energy: -0.005
local terms energy: -153.282010
where:
bonds (distance) C4'-P energy: -24.368
bonds (distance) P-C4' energy: -28.081
flat angles C4'-P-C4' energy: -29.066
flat angles P-C4'-P energy: -24.975
tors. eta vs tors. theta energy: -46.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -551.710542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.710542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.710542 (E_RNA)
where:
Base-Base interactions energy: -390.363
where: short stacking energy: -152.004
Base-Backbone interact. energy: -0.213
local terms energy: -161.134402
where:
bonds (distance) C4'-P energy: -29.362
bonds (distance) P-C4' energy: -25.429
flat angles C4'-P-C4' energy: -31.609
flat angles P-C4'-P energy: -26.688
tors. eta vs tors. theta energy: -48.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -551.256016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.256016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.256016 (E_RNA)
where:
Base-Base interactions energy: -397.069
where: short stacking energy: -152.927
Base-Backbone interact. energy: -0.076
local terms energy: -154.110925
where:
bonds (distance) C4'-P energy: -24.962
bonds (distance) P-C4' energy: -26.037
flat angles C4'-P-C4' energy: -31.768
flat angles P-C4'-P energy: -23.894
tors. eta vs tors. theta energy: -47.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -538.933997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.933997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.933997 (E_RNA)
where:
Base-Base interactions energy: -395.398
where: short stacking energy: -152.372
Base-Backbone interact. energy: -1.553
local terms energy: -141.982857
where:
bonds (distance) C4'-P energy: -23.961
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -28.610
flat angles P-C4'-P energy: -23.209
tors. eta vs tors. theta energy: -46.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -533.693591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.693591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.693591 (E_RNA)
where:
Base-Base interactions energy: -386.914
where: short stacking energy: -151.732
Base-Backbone interact. energy: -0.194
local terms energy: -146.585028
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -28.746
flat angles C4'-P-C4' energy: -32.211
flat angles P-C4'-P energy: -19.157
tors. eta vs tors. theta energy: -44.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -527.930123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.930123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.930123 (E_RNA)
where:
Base-Base interactions energy: -382.740
where: short stacking energy: -147.172
Base-Backbone interact. energy: -0.754
local terms energy: -144.435879
where:
bonds (distance) C4'-P energy: -27.340
bonds (distance) P-C4' energy: -25.891
flat angles C4'-P-C4' energy: -24.183
flat angles P-C4'-P energy: -21.650
tors. eta vs tors. theta energy: -45.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -525.823397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.823397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.823397 (E_RNA)
where:
Base-Base interactions energy: -380.399
where: short stacking energy: -146.611
Base-Backbone interact. energy: -0.040
local terms energy: -145.384878
where:
bonds (distance) C4'-P energy: -25.517
bonds (distance) P-C4' energy: -25.764
flat angles C4'-P-C4' energy: -30.552
flat angles P-C4'-P energy: -21.147
tors. eta vs tors. theta energy: -42.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -496.075231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.075231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.075231 (E_RNA)
where:
Base-Base interactions energy: -356.364
where: short stacking energy: -137.349
Base-Backbone interact. energy: -1.240
local terms energy: -138.471470
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -25.393
flat angles C4'-P-C4' energy: -28.581
flat angles P-C4'-P energy: -22.650
tors. eta vs tors. theta energy: -38.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -513.459234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.459234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.459234 (E_RNA)
where:
Base-Base interactions energy: -365.803
where: short stacking energy: -138.751
Base-Backbone interact. energy: -0.392
local terms energy: -147.264797
where:
bonds (distance) C4'-P energy: -24.903
bonds (distance) P-C4' energy: -30.481
flat angles C4'-P-C4' energy: -30.647
flat angles P-C4'-P energy: -18.581
tors. eta vs tors. theta energy: -42.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -505.398091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.398091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.398091 (E_RNA)
where:
Base-Base interactions energy: -374.028
where: short stacking energy: -147.577
Base-Backbone interact. energy: -0.012
local terms energy: -131.359010
where:
bonds (distance) C4'-P energy: -22.797
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -30.535
flat angles P-C4'-P energy: -18.864
tors. eta vs tors. theta energy: -46.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -564.769540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.769540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.769540 (E_RNA)
where:
Base-Base interactions energy: -402.865
where: short stacking energy: -160.978
Base-Backbone interact. energy: -0.579
local terms energy: -161.325694
where:
bonds (distance) C4'-P energy: -29.190
bonds (distance) P-C4' energy: -27.570
flat angles C4'-P-C4' energy: -32.222
flat angles P-C4'-P energy: -25.097
tors. eta vs tors. theta energy: -47.247
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: 2, replica: 9
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -558.680709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.680709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.680709 (E_RNA)
where:
Base-Base interactions energy: -399.320
where: short stacking energy: -153.541
Base-Backbone interact. energy: -1.077
local terms energy: -158.284017
where:
bonds (distance) C4'-P energy: -27.168
bonds (distance) P-C4' energy: -27.360
flat angles C4'-P-C4' energy: -31.940
flat angles P-C4'-P energy: -23.828
tors. eta vs tors. theta energy: -47.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -540.203433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.203433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.203433 (E_RNA)
where:
Base-Base interactions energy: -385.840
where: short stacking energy: -145.286
Base-Backbone interact. energy: -0.409
local terms energy: -153.954209
where:
bonds (distance) C4'-P energy: -27.754
bonds (distance) P-C4' energy: -28.817
flat angles C4'-P-C4' energy: -29.745
flat angles P-C4'-P energy: -21.217
tors. eta vs tors. theta energy: -46.421
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: 10
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -540.822777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.822777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.822777 (E_RNA)
where:
Base-Base interactions energy: -393.814
where: short stacking energy: -155.122
Base-Backbone interact. energy: -1.072
local terms energy: -145.937487
where:
bonds (distance) C4'-P energy: -22.248
bonds (distance) P-C4' energy: -27.978
flat angles C4'-P-C4' energy: -31.470
flat angles P-C4'-P energy: -19.003
tors. eta vs tors. theta energy: -45.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -519.681575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.681575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.681575 (E_RNA)
where:
Base-Base interactions energy: -378.614
where: short stacking energy: -148.017
Base-Backbone interact. energy: -0.612
local terms energy: -140.455500
where:
bonds (distance) C4'-P energy: -25.158
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -28.818
flat angles P-C4'-P energy: -18.643
tors. eta vs tors. theta energy: -40.994
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: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -529.112120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.112120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.112120 (E_RNA)
where:
Base-Base interactions energy: -387.176
where: short stacking energy: -146.507
Base-Backbone interact. energy: -1.018
local terms energy: -140.917901
where:
bonds (distance) C4'-P energy: -22.290
bonds (distance) P-C4' energy: -25.552
flat angles C4'-P-C4' energy: -29.318
flat angles P-C4'-P energy: -19.772
tors. eta vs tors. theta energy: -43.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -522.618427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.618427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.618427 (E_RNA)
where:
Base-Base interactions energy: -376.247
where: short stacking energy: -147.772
Base-Backbone interact. energy: -0.658
local terms energy: -145.712971
where:
bonds (distance) C4'-P energy: -22.459
bonds (distance) P-C4' energy: -25.874
flat angles C4'-P-C4' energy: -28.362
flat angles P-C4'-P energy: -23.934
tors. eta vs tors. theta energy: -45.084
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: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -517.517715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.517715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.517715 (E_RNA)
where:
Base-Base interactions energy: -388.221
where: short stacking energy: -145.986
Base-Backbone interact. energy: -0.015
local terms energy: -129.281922
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -25.474
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -46.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -500.926607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.926607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.926607 (E_RNA)
where:
Base-Base interactions energy: -366.837
where: short stacking energy: -138.376
Base-Backbone interact. energy: -0.294
local terms energy: -133.795738
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -23.946
flat angles C4'-P-C4' energy: -28.501
flat angles P-C4'-P energy: -17.038
tors. eta vs tors. theta energy: -42.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -508.349169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.349169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.349169 (E_RNA)
where:
Base-Base interactions energy: -377.313
where: short stacking energy: -144.060
Base-Backbone interact. energy: -1.278
local terms energy: -129.758804
where:
bonds (distance) C4'-P energy: -24.567
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -27.430
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -42.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -558.373463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.373463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.373463 (E_RNA)
where:
Base-Base interactions energy: -403.844
where: short stacking energy: -160.947
Base-Backbone interact. energy: -0.334
local terms energy: -154.195332
where:
bonds (distance) C4'-P energy: -23.267
bonds (distance) P-C4' energy: -29.777
flat angles C4'-P-C4' energy: -32.617
flat angles P-C4'-P energy: -19.894
tors. eta vs tors. theta energy: -48.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -559.269822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.269822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.269822 (E_RNA)
where:
Base-Base interactions energy: -410.506
where: short stacking energy: -157.109
Base-Backbone interact. energy: -1.125
local terms energy: -147.638833
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -33.321
flat angles P-C4'-P energy: -23.357
tors. eta vs tors. theta energy: -44.162
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: 9
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -546.737504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.737504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.737504 (E_RNA)
where:
Base-Base interactions energy: -392.425
where: short stacking energy: -149.584
Base-Backbone interact. energy: -1.224
local terms energy: -153.088069
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -31.069
flat angles C4'-P-C4' energy: -27.947
flat angles P-C4'-P energy: -23.700
tors. eta vs tors. theta energy: -46.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -534.664678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.664678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.664678 (E_RNA)
where:
Base-Base interactions energy: -388.952
where: short stacking energy: -146.441
Base-Backbone interact. energy: -0.760
local terms energy: -144.953087
where:
bonds (distance) C4'-P energy: -28.019
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -26.691
flat angles P-C4'-P energy: -24.484
tors. eta vs tors. theta energy: -43.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -534.457854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.457854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.457854 (E_RNA)
where:
Base-Base interactions energy: -389.584
where: short stacking energy: -153.382
Base-Backbone interact. energy: -0.167
local terms energy: -144.707230
where:
bonds (distance) C4'-P energy: -23.960
bonds (distance) P-C4' energy: -23.854
flat angles C4'-P-C4' energy: -33.042
flat angles P-C4'-P energy: -20.252
tors. eta vs tors. theta energy: -43.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -540.262654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.262654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.262654 (E_RNA)
where:
Base-Base interactions energy: -384.967
where: short stacking energy: -150.961
Base-Backbone interact. energy: 0.902
local terms energy: -156.197574
where:
bonds (distance) C4'-P energy: -27.909
bonds (distance) P-C4' energy: -26.342
flat angles C4'-P-C4' energy: -30.914
flat angles P-C4'-P energy: -24.804
tors. eta vs tors. theta energy: -46.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -519.082404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.082404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.082404 (E_RNA)
where:
Base-Base interactions energy: -374.877
where: short stacking energy: -137.197
Base-Backbone interact. energy: -0.007
local terms energy: -144.198491
where:
bonds (distance) C4'-P energy: -22.125
bonds (distance) P-C4' energy: -25.400
flat angles C4'-P-C4' energy: -31.467
flat angles P-C4'-P energy: -22.369
tors. eta vs tors. theta energy: -42.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -528.653236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.653236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.653236 (E_RNA)
where:
Base-Base interactions energy: -388.940
where: short stacking energy: -151.243
Base-Backbone interact. energy: -0.356
local terms energy: -139.357382
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -33.157
flat angles P-C4'-P energy: -22.262
tors. eta vs tors. theta energy: -45.099
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: 9, replica: 2
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -482.124671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.124671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.124671 (E_RNA)
where:
Base-Base interactions energy: -351.922
where: short stacking energy: -142.711
Base-Backbone interact. energy: -0.134
local terms energy: -130.069076
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -27.134
flat angles C4'-P-C4' energy: -29.863
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -39.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -498.842642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.842642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.842642 (E_RNA)
where:
Base-Base interactions energy: -351.721
where: short stacking energy: -146.497
Base-Backbone interact. energy: -0.003
local terms energy: -147.118675
where:
bonds (distance) C4'-P energy: -26.766
bonds (distance) P-C4' energy: -29.379
flat angles C4'-P-C4' energy: -28.219
flat angles P-C4'-P energy: -23.532
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: 1, replica: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -559.621518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.621518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.621518 (E_RNA)
where:
Base-Base interactions energy: -408.824
where: short stacking energy: -154.044
Base-Backbone interact. energy: -0.700
local terms energy: -150.097643
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -32.356
flat angles C4'-P-C4' energy: -25.340
flat angles P-C4'-P energy: -23.856
tors. eta vs tors. theta energy: -47.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -553.286855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.286855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.286855 (E_RNA)
where:
Base-Base interactions energy: -400.849
where: short stacking energy: -162.470
Base-Backbone interact. energy: -0.909
local terms energy: -151.529136
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -29.782
flat angles C4'-P-C4' energy: -30.499
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -44.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -545.063144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.063144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.063144 (E_RNA)
where:
Base-Base interactions energy: -394.383
where: short stacking energy: -156.784
Base-Backbone interact. energy: -0.012
local terms energy: -150.667720
where:
bonds (distance) C4'-P energy: -25.103
bonds (distance) P-C4' energy: -29.305
flat angles C4'-P-C4' energy: -29.890
flat angles P-C4'-P energy: -22.372
tors. eta vs tors. theta energy: -43.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -540.435246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.435246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.435246 (E_RNA)
where:
Base-Base interactions energy: -391.257
where: short stacking energy: -152.767
Base-Backbone interact. energy: -0.998
local terms energy: -148.180772
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -24.990
flat angles C4'-P-C4' energy: -33.346
flat angles P-C4'-P energy: -17.653
tors. eta vs tors. theta energy: -44.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -535.058436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.058436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.058436 (E_RNA)
where:
Base-Base interactions energy: -390.590
where: short stacking energy: -151.736
Base-Backbone interact. energy: -0.001
local terms energy: -144.468005
where:
bonds (distance) C4'-P energy: -24.054
bonds (distance) P-C4' energy: -25.685
flat angles C4'-P-C4' energy: -29.536
flat angles P-C4'-P energy: -22.151
tors. eta vs tors. theta energy: -43.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -525.269687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.269687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.269687 (E_RNA)
where:
Base-Base interactions energy: -377.464
where: short stacking energy: -144.327
Base-Backbone interact. energy: -0.758
local terms energy: -147.047797
where:
bonds (distance) C4'-P energy: -30.241
bonds (distance) P-C4' energy: -24.704
flat angles C4'-P-C4' energy: -29.012
flat angles P-C4'-P energy: -17.657
tors. eta vs tors. theta energy: -45.434
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: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -513.500339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.500339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.500339 (E_RNA)
where:
Base-Base interactions energy: -380.680
where: short stacking energy: -148.806
Base-Backbone interact. energy: -0.032
local terms energy: -132.788190
where:
bonds (distance) C4'-P energy: -22.693
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -27.532
flat angles P-C4'-P energy: -17.631
tors. eta vs tors. theta energy: -47.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -511.593983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.593983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.593983 (E_RNA)
where:
Base-Base interactions energy: -375.018
where: short stacking energy: -145.040
Base-Backbone interact. energy: -0.007
local terms energy: -136.568861
where:
bonds (distance) C4'-P energy: -21.277
bonds (distance) P-C4' energy: -25.593
flat angles C4'-P-C4' energy: -24.700
flat angles P-C4'-P energy: -19.127
tors. eta vs tors. theta energy: -45.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -481.383546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.383546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.383546 (E_RNA)
where:
Base-Base interactions energy: -356.728
where: short stacking energy: -142.493
Base-Backbone interact. energy: -1.209
local terms energy: -123.446196
where:
bonds (distance) C4'-P energy: -25.624
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -26.962
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -41.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -445.584586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.584586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.584586 (E_RNA)
where:
Base-Base interactions energy: -324.837
where: short stacking energy: -127.124
Base-Backbone interact. energy: -0.631
local terms energy: -120.117013
where:
bonds (distance) C4'-P energy: -21.098
bonds (distance) P-C4' energy: -23.760
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -41.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -565.757179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.757179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.757179 (E_RNA)
where:
Base-Base interactions energy: -400.175
where: short stacking energy: -155.055
Base-Backbone interact. energy: -0.758
local terms energy: -164.824171
where:
bonds (distance) C4'-P energy: -27.073
bonds (distance) P-C4' energy: -32.731
flat angles C4'-P-C4' energy: -33.360
flat angles P-C4'-P energy: -24.451
tors. eta vs tors. theta energy: -47.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -558.292308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.292308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.292308 (E_RNA)
where:
Base-Base interactions energy: -405.623
where: short stacking energy: -164.705
Base-Backbone interact. energy: -1.466
local terms energy: -151.202912
where:
bonds (distance) C4'-P energy: -22.867
bonds (distance) P-C4' energy: -24.085
flat angles C4'-P-C4' energy: -29.508
flat angles P-C4'-P energy: -25.514
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: 195
Temperature: 1.000000
Total energy: -540.273031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.273031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.273031 (E_RNA)
where:
Base-Base interactions energy: -393.863
where: short stacking energy: -151.596
Base-Backbone interact. energy: -0.996
local terms energy: -145.413690
where:
bonds (distance) C4'-P energy: -26.528
bonds (distance) P-C4' energy: -26.525
flat angles C4'-P-C4' energy: -30.898
flat angles P-C4'-P energy: -19.781
tors. eta vs tors. theta energy: -41.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -548.850768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.850768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.850768 (E_RNA)
where:
Base-Base interactions energy: -400.808
where: short stacking energy: -159.235
Base-Backbone interact. energy: -0.486
local terms energy: -147.556547
where:
bonds (distance) C4'-P energy: -22.030
bonds (distance) P-C4' energy: -20.999
flat angles C4'-P-C4' energy: -32.761
flat angles P-C4'-P energy: -23.779
tors. eta vs tors. theta energy: -47.988
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: 1
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -533.992853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.992853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.992853 (E_RNA)
where:
Base-Base interactions energy: -390.788
where: short stacking energy: -155.324
Base-Backbone interact. energy: -0.412
local terms energy: -142.792480
where:
bonds (distance) C4'-P energy: -22.653
bonds (distance) P-C4' energy: -27.484
flat angles C4'-P-C4' energy: -25.486
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: -46.700
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: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -527.955822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.955822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.955822 (E_RNA)
where:
Base-Base interactions energy: -379.037
where: short stacking energy: -145.805
Base-Backbone interact. energy: -0.574
local terms energy: -148.344913
where:
bonds (distance) C4'-P energy: -28.730
bonds (distance) P-C4' energy: -23.967
flat angles C4'-P-C4' energy: -28.174
flat angles P-C4'-P energy: -23.133
tors. eta vs tors. theta energy: -44.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -524.096231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.096231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.096231 (E_RNA)
where:
Base-Base interactions energy: -389.024
where: short stacking energy: -147.770
Base-Backbone interact. energy: 1.476
local terms energy: -136.548409
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -25.636
flat angles C4'-P-C4' energy: -30.737
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -44.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -512.463561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.463561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.463561 (E_RNA)
where:
Base-Base interactions energy: -372.114
where: short stacking energy: -153.881
Base-Backbone interact. energy: 1.058
local terms energy: -141.407701
where:
bonds (distance) C4'-P energy: -23.028
bonds (distance) P-C4' energy: -27.191
flat angles C4'-P-C4' energy: -26.968
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -45.505
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: 4
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -498.619654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.619654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.619654 (E_RNA)
where:
Base-Base interactions energy: -371.990
where: short stacking energy: -140.958
Base-Backbone interact. energy: -0.512
local terms energy: -126.117792
where:
bonds (distance) C4'-P energy: -23.329
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -27.150
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -43.912
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: 2
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -493.826097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.826097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.826097 (E_RNA)
where:
Base-Base interactions energy: -370.183
where: short stacking energy: -139.481
Base-Backbone interact. energy: -0.560
local terms energy: -123.082941
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -42.778
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: 1, replica: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -558.857764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.857764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.857764 (E_RNA)
where:
Base-Base interactions energy: -406.310
where: short stacking energy: -155.778
Base-Backbone interact. energy: -0.778
local terms energy: -151.769439
where:
bonds (distance) C4'-P energy: -24.450
bonds (distance) P-C4' energy: -30.784
flat angles C4'-P-C4' energy: -32.262
flat angles P-C4'-P energy: -19.322
tors. eta vs tors. theta energy: -44.951
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: 7
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -551.044620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.044620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.044620 (E_RNA)
where:
Base-Base interactions energy: -406.350
where: short stacking energy: -156.283
Base-Backbone interact. energy: 0.384
local terms energy: -145.078781
where:
bonds (distance) C4'-P energy: -23.067
bonds (distance) P-C4' energy: -27.654
flat angles C4'-P-C4' energy: -27.126
flat angles P-C4'-P energy: -20.661
tors. eta vs tors. theta energy: -46.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -551.200486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.200486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.200486 (E_RNA)
where:
Base-Base interactions energy: -401.966
where: short stacking energy: -160.411
Base-Backbone interact. energy: -0.791
local terms energy: -148.444291
where:
bonds (distance) C4'-P energy: -24.309
bonds (distance) P-C4' energy: -28.324
flat angles C4'-P-C4' energy: -24.376
flat angles P-C4'-P energy: -23.704
tors. eta vs tors. theta energy: -47.730
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: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -533.188867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.188867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.188867 (E_RNA)
where:
Base-Base interactions energy: -387.706
where: short stacking energy: -144.939
Base-Backbone interact. energy: -1.308
local terms energy: -144.174712
where:
bonds (distance) C4'-P energy: -25.599
bonds (distance) P-C4' energy: -22.561
flat angles C4'-P-C4' energy: -32.467
flat angles P-C4'-P energy: -23.427
tors. eta vs tors. theta energy: -40.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -533.225981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.225981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.225981 (E_RNA)
where:
Base-Base interactions energy: -398.154
where: short stacking energy: -152.130
Base-Backbone interact. energy: -0.829
local terms energy: -134.243061
where:
bonds (distance) C4'-P energy: -26.675
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -26.585
flat angles P-C4'-P energy: -19.258
tors. eta vs tors. theta energy: -43.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -529.692080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.692080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.692080 (E_RNA)
where:
Base-Base interactions energy: -384.828
where: short stacking energy: -150.128
Base-Backbone interact. energy: -0.748
local terms energy: -144.116622
where:
bonds (distance) C4'-P energy: -23.853
bonds (distance) P-C4' energy: -22.657
flat angles C4'-P-C4' energy: -30.955
flat angles P-C4'-P energy: -23.767
tors. eta vs tors. theta energy: -42.885
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: 3
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -510.906970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.906970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.906970 (E_RNA)
where:
Base-Base interactions energy: -372.065
where: short stacking energy: -138.575
Base-Backbone interact. energy: -0.427
local terms energy: -138.415673
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -29.651
flat angles C4'-P-C4' energy: -29.986
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: -43.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -513.955885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.955885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.955885 (E_RNA)
where:
Base-Base interactions energy: -380.592
where: short stacking energy: -144.413
Base-Backbone interact. energy: 0.378
local terms energy: -133.742227
where:
bonds (distance) C4'-P energy: -24.901
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -28.573
flat angles P-C4'-P energy: -14.199
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: 9, replica: 4
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -511.720057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.720057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.720057 (E_RNA)
where:
Base-Base interactions energy: -377.300
where: short stacking energy: -145.463
Base-Backbone interact. energy: -0.324
local terms energy: -134.096177
where:
bonds (distance) C4'-P energy: -21.695
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -26.455
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -43.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -496.022346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.022346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.022346 (E_RNA)
where:
Base-Base interactions energy: -363.400
where: short stacking energy: -145.020
Base-Backbone interact. energy: -0.169
local terms energy: -132.452543
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -21.290
flat angles C4'-P-C4' energy: -27.111
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -43.191
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: 1, replica: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -557.764910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.764910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.764910 (E_RNA)
where:
Base-Base interactions energy: -410.811
where: short stacking energy: -160.904
Base-Backbone interact. energy: -0.139
local terms energy: -146.814605
where:
bonds (distance) C4'-P energy: -23.916
bonds (distance) P-C4' energy: -24.301
flat angles C4'-P-C4' energy: -30.507
flat angles P-C4'-P energy: -21.216
tors. eta vs tors. theta energy: -46.874
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: 7
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -548.607275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.607275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.607275 (E_RNA)
where:
Base-Base interactions energy: -396.335
where: short stacking energy: -154.295
Base-Backbone interact. energy: -1.302
local terms energy: -150.969804
where:
bonds (distance) C4'-P energy: -26.171
bonds (distance) P-C4' energy: -29.533
flat angles C4'-P-C4' energy: -28.814
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -46.929
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: 9
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -556.508824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.508824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.508824 (E_RNA)
where:
Base-Base interactions energy: -403.954
where: short stacking energy: -157.183
Base-Backbone interact. energy: -0.534
local terms energy: -152.020745
where:
bonds (distance) C4'-P energy: -28.366
bonds (distance) P-C4' energy: -27.616
flat angles C4'-P-C4' energy: -29.353
flat angles P-C4'-P energy: -20.322
tors. eta vs tors. theta energy: -46.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -539.438522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.438522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.438522 (E_RNA)
where:
Base-Base interactions energy: -405.141
where: short stacking energy: -155.632
Base-Backbone interact. energy: -0.002
local terms energy: -134.295649
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -29.868
flat angles P-C4'-P energy: -21.619
tors. eta vs tors. theta energy: -45.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -533.701097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.701097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.701097 (E_RNA)
where:
Base-Base interactions energy: -389.604
where: short stacking energy: -153.090
Base-Backbone interact. energy: -0.511
local terms energy: -143.585550
where:
bonds (distance) C4'-P energy: -24.468
bonds (distance) P-C4' energy: -24.396
flat angles C4'-P-C4' energy: -29.229
flat angles P-C4'-P energy: -19.703
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: 6, replica: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -525.052192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.052192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.052192 (E_RNA)
where:
Base-Base interactions energy: -380.784
where: short stacking energy: -154.933
Base-Backbone interact. energy: -0.528
local terms energy: -143.740952
where:
bonds (distance) C4'-P energy: -24.034
bonds (distance) P-C4' energy: -26.949
flat angles C4'-P-C4' energy: -28.189
flat angles P-C4'-P energy: -18.914
tors. eta vs tors. theta energy: -45.656
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: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -519.940047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.940047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.940047 (E_RNA)
where:
Base-Base interactions energy: -381.895
where: short stacking energy: -149.180
Base-Backbone interact. energy: -0.698
local terms energy: -137.346812
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -26.588
flat angles C4'-P-C4' energy: -30.678
flat angles P-C4'-P energy: -20.149
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: 8, replica: 4
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -508.176928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.176928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.176928 (E_RNA)
where:
Base-Base interactions energy: -363.175
where: short stacking energy: -133.599
Base-Backbone interact. energy: -0.392
local terms energy: -144.609969
where:
bonds (distance) C4'-P energy: -22.742
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -33.140
flat angles P-C4'-P energy: -21.086
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: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -502.485032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.485032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.485032 (E_RNA)
where:
Base-Base interactions energy: -364.216
where: short stacking energy: -141.328
Base-Backbone interact. energy: -0.294
local terms energy: -137.975352
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -29.671
flat angles C4'-P-C4' energy: -25.072
flat angles P-C4'-P energy: -18.701
tors. eta vs tors. theta energy: -44.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -495.033376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.033376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.033376 (E_RNA)
where:
Base-Base interactions energy: -355.893
where: short stacking energy: -129.636
Base-Backbone interact. energy: -1.012
local terms energy: -138.128183
where:
bonds (distance) C4'-P energy: -25.868
bonds (distance) P-C4' energy: -24.566
flat angles C4'-P-C4' energy: -31.354
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -40.903
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: 1, replica: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -568.786134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.786134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.786134 (E_RNA)
where:
Base-Base interactions energy: -412.406
where: short stacking energy: -160.952
Base-Backbone interact. energy: -0.359
local terms energy: -156.020832
where:
bonds (distance) C4'-P energy: -25.736
bonds (distance) P-C4' energy: -24.158
flat angles C4'-P-C4' energy: -32.569
flat angles P-C4'-P energy: -26.772
tors. eta vs tors. theta energy: -46.786
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: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -546.994514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.994514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.994514 (E_RNA)
where:
Base-Base interactions energy: -389.353
where: short stacking energy: -150.821
Base-Backbone interact. energy: -0.024
local terms energy: -157.617474
where:
bonds (distance) C4'-P energy: -27.682
bonds (distance) P-C4' energy: -29.533
flat angles C4'-P-C4' energy: -31.552
flat angles P-C4'-P energy: -22.558
tors. eta vs tors. theta energy: -46.292
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: 9
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -559.423430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.423430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.423430 (E_RNA)
where:
Base-Base interactions energy: -408.079
where: short stacking energy: -156.214
Base-Backbone interact. energy: -1.028
local terms energy: -150.315946
where:
bonds (distance) C4'-P energy: -24.992
bonds (distance) P-C4' energy: -26.274
flat angles C4'-P-C4' energy: -28.327
flat angles P-C4'-P energy: -25.005
tors. eta vs tors. theta energy: -45.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -544.586078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.586078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.586078 (E_RNA)
where:
Base-Base interactions energy: -394.641
where: short stacking energy: -153.610
Base-Backbone interact. energy: -0.061
local terms energy: -149.883491
where:
bonds (distance) C4'-P energy: -25.244
bonds (distance) P-C4' energy: -29.330
flat angles C4'-P-C4' energy: -28.998
flat angles P-C4'-P energy: -21.620
tors. eta vs tors. theta energy: -44.692
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: 198
Temperature: 1.100000
Total energy: -537.620526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.620526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.620526 (E_RNA)
where:
Base-Base interactions energy: -385.468
where: short stacking energy: -153.036
Base-Backbone interact. energy: -0.916
local terms energy: -151.236909
where:
bonds (distance) C4'-P energy: -27.155
bonds (distance) P-C4' energy: -31.739
flat angles C4'-P-C4' energy: -27.844
flat angles P-C4'-P energy: -19.648
tors. eta vs tors. theta energy: -44.851
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: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -527.707723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.707723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.707723 (E_RNA)
where:
Base-Base interactions energy: -373.881
where: short stacking energy: -142.239
Base-Backbone interact. energy: -0.714
local terms energy: -153.113117
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -25.688
flat angles C4'-P-C4' energy: -33.651
flat angles P-C4'-P energy: -22.963
tors. eta vs tors. theta energy: -47.775
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: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -514.147615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.147615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.147615 (E_RNA)
where:
Base-Base interactions energy: -379.550
where: short stacking energy: -143.906
Base-Backbone interact. energy: -0.950
local terms energy: -133.647349
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -22.584
flat angles C4'-P-C4' energy: -29.526
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -41.460
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: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -519.152680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.152680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.152680 (E_RNA)
where:
Base-Base interactions energy: -379.919
where: short stacking energy: -146.536
Base-Backbone interact. energy: -0.649
local terms energy: -138.584562
where:
bonds (distance) C4'-P energy: -25.599
bonds (distance) P-C4' energy: -27.115
flat angles C4'-P-C4' energy: -25.323
flat angles P-C4'-P energy: -17.837
tors. eta vs tors. theta energy: -42.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -518.372328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.372328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.372328 (E_RNA)
where:
Base-Base interactions energy: -384.049
where: short stacking energy: -152.208
Base-Backbone interact. energy: -0.498
local terms energy: -133.825498
where:
bonds (distance) C4'-P energy: -25.612
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -29.973
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -48.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -497.951529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.951529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.951529 (E_RNA)
where:
Base-Base interactions energy: -366.883
where: short stacking energy: -142.050
Base-Backbone interact. energy: -0.401
local terms energy: -130.667402
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -21.075
flat angles C4'-P-C4' energy: -26.215
flat angles P-C4'-P energy: -20.859
tors. eta vs tors. theta energy: -47.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -561.826575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.826575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.826575 (E_RNA)
where:
Base-Base interactions energy: -409.659
where: short stacking energy: -162.410
Base-Backbone interact. energy: -0.734
local terms energy: -151.433842
where:
bonds (distance) C4'-P energy: -27.639
bonds (distance) P-C4' energy: -27.367
flat angles C4'-P-C4' energy: -29.645
flat angles P-C4'-P energy: -21.195
tors. eta vs tors. theta energy: -45.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -550.181438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.181438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.181438 (E_RNA)
where:
Base-Base interactions energy: -392.638
where: short stacking energy: -160.626
Base-Backbone interact. energy: -0.279
local terms energy: -157.264087
where:
bonds (distance) C4'-P energy: -27.507
bonds (distance) P-C4' energy: -26.395
flat angles C4'-P-C4' energy: -28.808
flat angles P-C4'-P energy: -27.203
tors. eta vs tors. theta energy: -47.350
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: 9
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -551.239928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.239928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.239928 (E_RNA)
where:
Base-Base interactions energy: -399.772
where: short stacking energy: -157.899
Base-Backbone interact. energy: -0.351
local terms energy: -151.116949
where:
bonds (distance) C4'-P energy: -28.808
bonds (distance) P-C4' energy: -25.527
flat angles C4'-P-C4' energy: -32.101
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -45.636
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: 8
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -540.384737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.384737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.384737 (E_RNA)
where:
Base-Base interactions energy: -390.095
where: short stacking energy: -150.282
Base-Backbone interact. energy: 0.243
local terms energy: -150.532426
where:
bonds (distance) C4'-P energy: -30.211
bonds (distance) P-C4' energy: -27.843
flat angles C4'-P-C4' energy: -25.843
flat angles P-C4'-P energy: -19.766
tors. eta vs tors. theta energy: -46.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -540.053539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.053539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.053539 (E_RNA)
where:
Base-Base interactions energy: -393.443
where: short stacking energy: -159.325
Base-Backbone interact. energy: -0.001
local terms energy: -146.609356
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -26.888
flat angles C4'-P-C4' energy: -31.547
flat angles P-C4'-P energy: -21.087
tors. eta vs tors. theta energy: -46.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -528.596698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.596698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.596698 (E_RNA)
where:
Base-Base interactions energy: -381.721
where: short stacking energy: -143.512
Base-Backbone interact. energy: -0.048
local terms energy: -146.827272
where:
bonds (distance) C4'-P energy: -25.748
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -32.117
flat angles P-C4'-P energy: -22.000
tors. eta vs tors. theta energy: -44.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -525.046365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.046365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.046365 (E_RNA)
where:
Base-Base interactions energy: -385.694
where: short stacking energy: -154.882
Base-Backbone interact. energy: -0.006
local terms energy: -139.346030
where:
bonds (distance) C4'-P energy: -21.769
bonds (distance) P-C4' energy: -24.431
flat angles C4'-P-C4' energy: -29.211
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -47.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -510.274678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.274678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.274678 (E_RNA)
where:
Base-Base interactions energy: -362.835
where: short stacking energy: -135.527
Base-Backbone interact. energy: 0.025
local terms energy: -147.464239
where:
bonds (distance) C4'-P energy: -28.984
bonds (distance) P-C4' energy: -28.638
flat angles C4'-P-C4' energy: -23.534
flat angles P-C4'-P energy: -23.537
tors. eta vs tors. theta energy: -42.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -503.592636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.592636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.592636 (E_RNA)
where:
Base-Base interactions energy: -369.015
where: short stacking energy: -140.700
Base-Backbone interact. energy: -0.082
local terms energy: -134.495585
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -26.586
flat angles P-C4'-P energy: -17.144
tors. eta vs tors. theta energy: -44.904
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: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -502.652752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.652752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.652752 (E_RNA)
where:
Base-Base interactions energy: -364.553
where: short stacking energy: -135.811
Base-Backbone interact. energy: -0.046
local terms energy: -138.053471
where:
bonds (distance) C4'-P energy: -24.929
bonds (distance) P-C4' energy: -26.103
flat angles C4'-P-C4' energy: -28.303
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -40.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -564.887027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.887027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.887027 (E_RNA)
where:
Base-Base interactions energy: -404.853
where: short stacking energy: -161.229
Base-Backbone interact. energy: -1.687
local terms energy: -158.346793
where:
bonds (distance) C4'-P energy: -29.312
bonds (distance) P-C4' energy: -26.916
flat angles C4'-P-C4' energy: -33.274
flat angles P-C4'-P energy: -21.180
tors. eta vs tors. theta energy: -47.664
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: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -552.700825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.700825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.700825 (E_RNA)
where:
Base-Base interactions energy: -392.972
where: short stacking energy: -148.435
Base-Backbone interact. energy: -0.046
local terms energy: -159.683272
where:
bonds (distance) C4'-P energy: -25.060
bonds (distance) P-C4' energy: -30.656
flat angles C4'-P-C4' energy: -31.879
flat angles P-C4'-P energy: -27.458
tors. eta vs tors. theta energy: -44.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -548.531005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.531005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.531005 (E_RNA)
where:
Base-Base interactions energy: -396.123
where: short stacking energy: -152.573
Base-Backbone interact. energy: -0.050
local terms energy: -152.357770
where:
bonds (distance) C4'-P energy: -27.101
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -29.430
flat angles P-C4'-P energy: -22.745
tors. eta vs tors. theta energy: -48.059
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: 4, replica: 8
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -532.097304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.097304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.097304 (E_RNA)
where:
Base-Base interactions energy: -389.820
where: short stacking energy: -152.432
Base-Backbone interact. energy: -0.399
local terms energy: -141.877423
where:
bonds (distance) C4'-P energy: -24.479
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -27.929
flat angles P-C4'-P energy: -20.017
tors. eta vs tors. theta energy: -44.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -541.735496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.735496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.735496 (E_RNA)
where:
Base-Base interactions energy: -384.467
where: short stacking energy: -148.568
Base-Backbone interact. energy: -1.285
local terms energy: -155.983666
where:
bonds (distance) C4'-P energy: -27.470
bonds (distance) P-C4' energy: -29.124
flat angles C4'-P-C4' energy: -28.666
flat angles P-C4'-P energy: -23.640
tors. eta vs tors. theta energy: -47.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -531.896777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.896777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.896777 (E_RNA)
where:
Base-Base interactions energy: -383.819
where: short stacking energy: -145.598
Base-Backbone interact. energy: -0.003
local terms energy: -148.074710
where:
bonds (distance) C4'-P energy: -24.251
bonds (distance) P-C4' energy: -23.950
flat angles C4'-P-C4' energy: -33.175
flat angles P-C4'-P energy: -21.156
tors. eta vs tors. theta energy: -45.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -511.860904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.860904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.860904 (E_RNA)
where:
Base-Base interactions energy: -371.407
where: short stacking energy: -135.628
Base-Backbone interact. energy: -0.002
local terms energy: -140.451895
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -24.541
flat angles C4'-P-C4' energy: -29.956
flat angles P-C4'-P energy: -23.521
tors. eta vs tors. theta energy: -44.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -512.018009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.018009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.018009 (E_RNA)
where:
Base-Base interactions energy: -382.786
where: short stacking energy: -155.640
Base-Backbone interact. energy: 1.693
local terms energy: -130.925326
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -26.568
flat angles P-C4'-P energy: -19.612
tors. eta vs tors. theta energy: -46.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -508.531017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.531017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.531017 (E_RNA)
where:
Base-Base interactions energy: -371.083
where: short stacking energy: -140.744
Base-Backbone interact. energy: -0.766
local terms energy: -136.681768
where:
bonds (distance) C4'-P energy: -24.838
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -30.247
flat angles P-C4'-P energy: -19.963
tors. eta vs tors. theta energy: -40.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -496.350306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.350306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.350306 (E_RNA)
where:
Base-Base interactions energy: -365.187
where: short stacking energy: -142.807
Base-Backbone interact. energy: -0.837
local terms energy: -130.326783
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -29.207
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: -43.370
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: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -559.004847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.004847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.004847 (E_RNA)
where:
Base-Base interactions energy: -401.581
where: short stacking energy: -157.602
Base-Backbone interact. energy: -0.608
local terms energy: -156.815693
where:
bonds (distance) C4'-P energy: -28.151
bonds (distance) P-C4' energy: -28.042
flat angles C4'-P-C4' energy: -29.788
flat angles P-C4'-P energy: -25.114
tors. eta vs tors. theta energy: -45.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -555.704235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.704235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.704235 (E_RNA)
where:
Base-Base interactions energy: -406.982
where: short stacking energy: -161.012
Base-Backbone interact. energy: -0.010
local terms energy: -148.712399
where:
bonds (distance) C4'-P energy: -29.595
bonds (distance) P-C4' energy: -21.051
flat angles C4'-P-C4' energy: -29.533
flat angles P-C4'-P energy: -21.475
tors. eta vs tors. theta energy: -47.060
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: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -549.946008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.946008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.946008 (E_RNA)
where:
Base-Base interactions energy: -408.446
where: short stacking energy: -157.365
Base-Backbone interact. energy: -0.532
local terms energy: -140.968432
where:
bonds (distance) C4'-P energy: -21.624
bonds (distance) P-C4' energy: -25.106
flat angles C4'-P-C4' energy: -28.472
flat angles P-C4'-P energy: -21.983
tors. eta vs tors. theta energy: -43.784
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: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -537.315527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.315527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.315527 (E_RNA)
where:
Base-Base interactions energy: -388.952
where: short stacking energy: -149.188
Base-Backbone interact. energy: -0.080
local terms energy: -148.283476
where:
bonds (distance) C4'-P energy: -26.026
bonds (distance) P-C4' energy: -26.367
flat angles C4'-P-C4' energy: -31.885
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: -46.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -525.375897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.375897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.375897 (E_RNA)
where:
Base-Base interactions energy: -384.672
where: short stacking energy: -152.298
Base-Backbone interact. energy: -0.001
local terms energy: -140.703066
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -28.205
flat angles C4'-P-C4' energy: -23.980
flat angles P-C4'-P energy: -25.174
tors. eta vs tors. theta energy: -43.126
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: 1
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -528.203890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.203890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.203890 (E_RNA)
where:
Base-Base interactions energy: -384.986
where: short stacking energy: -152.399
Base-Backbone interact. energy: -0.279
local terms energy: -142.938517
where:
bonds (distance) C4'-P energy: -28.432
bonds (distance) P-C4' energy: -20.075
flat angles C4'-P-C4' energy: -28.831
flat angles P-C4'-P energy: -20.366
tors. eta vs tors. theta energy: -45.234
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: 201
Temperature: 1.200000
Total energy: -517.348422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.348422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.348422 (E_RNA)
where:
Base-Base interactions energy: -374.561
where: short stacking energy: -140.345
Base-Backbone interact. energy: -0.047
local terms energy: -142.740785
where:
bonds (distance) C4'-P energy: -26.904
bonds (distance) P-C4' energy: -22.356
flat angles C4'-P-C4' energy: -32.475
flat angles P-C4'-P energy: -22.098
tors. eta vs tors. theta energy: -38.908
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: 8, replica: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -520.207286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.207286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.207286 (E_RNA)
where:
Base-Base interactions energy: -383.387
where: short stacking energy: -149.869
Base-Backbone interact. energy: -1.681
local terms energy: -135.139249
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -28.936
flat angles P-C4'-P energy: -21.134
tors. eta vs tors. theta energy: -46.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -506.079215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.079215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.079215 (E_RNA)
where:
Base-Base interactions energy: -367.507
where: short stacking energy: -147.348
Base-Backbone interact. energy: -0.423
local terms energy: -138.149997
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -26.256
flat angles P-C4'-P energy: -23.492
tors. eta vs tors. theta energy: -45.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -492.825716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.825716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.825716 (E_RNA)
where:
Base-Base interactions energy: -364.511
where: short stacking energy: -130.934
Base-Backbone interact. energy: -0.513
local terms energy: -127.802036
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -25.836
flat angles P-C4'-P energy: -18.767
tors. eta vs tors. theta energy: -44.244
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: 9
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -566.564240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.564240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.564240 (E_RNA)
where:
Base-Base interactions energy: -403.407
where: short stacking energy: -156.470
Base-Backbone interact. energy: -0.899
local terms energy: -162.258098
where:
bonds (distance) C4'-P energy: -26.634
bonds (distance) P-C4' energy: -31.435
flat angles C4'-P-C4' energy: -34.189
flat angles P-C4'-P energy: -23.796
tors. eta vs tors. theta energy: -46.204
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: 7
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -562.797613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.797613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.797613 (E_RNA)
where:
Base-Base interactions energy: -408.101
where: short stacking energy: -160.600
Base-Backbone interact. energy: -0.626
local terms energy: -154.070125
where:
bonds (distance) C4'-P energy: -25.873
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -31.978
flat angles P-C4'-P energy: -21.533
tors. eta vs tors. theta energy: -47.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -549.565620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.565620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.565620 (E_RNA)
where:
Base-Base interactions energy: -396.947
where: short stacking energy: -155.462
Base-Backbone interact. energy: -0.911
local terms energy: -151.707621
where:
bonds (distance) C4'-P energy: -28.289
bonds (distance) P-C4' energy: -29.532
flat angles C4'-P-C4' energy: -27.174
flat angles P-C4'-P energy: -21.555
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: 4, replica: 4
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -541.368089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.368089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.368089 (E_RNA)
where:
Base-Base interactions energy: -398.867
where: short stacking energy: -156.160
Base-Backbone interact. energy: -0.596
local terms energy: -141.904536
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -26.675
flat angles P-C4'-P energy: -20.008
tors. eta vs tors. theta energy: -47.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -532.337523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.337523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.337523 (E_RNA)
where:
Base-Base interactions energy: -396.831
where: short stacking energy: -157.685
Base-Backbone interact. energy: -0.033
local terms energy: -135.473362
where:
bonds (distance) C4'-P energy: -23.231
bonds (distance) P-C4' energy: -27.230
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -44.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -532.689410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.689410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.689410 (E_RNA)
where:
Base-Base interactions energy: -391.166
where: short stacking energy: -150.805
Base-Backbone interact. energy: -1.018
local terms energy: -140.504912
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -25.460
flat angles C4'-P-C4' energy: -26.578
flat angles P-C4'-P energy: -26.000
tors. eta vs tors. theta energy: -45.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -527.466562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.466562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.466562 (E_RNA)
where:
Base-Base interactions energy: -380.962
where: short stacking energy: -148.038
Base-Backbone interact. energy: -0.324
local terms energy: -146.180242
where:
bonds (distance) C4'-P energy: -26.978
bonds (distance) P-C4' energy: -29.914
flat angles C4'-P-C4' energy: -27.075
flat angles P-C4'-P energy: -19.393
tors. eta vs tors. theta energy: -42.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -516.063331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.063331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.063331 (E_RNA)
where:
Base-Base interactions energy: -382.388
where: short stacking energy: -149.099
Base-Backbone interact. energy: -0.399
local terms energy: -133.275754
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -25.526
flat angles C4'-P-C4' energy: -26.512
flat angles P-C4'-P energy: -17.832
tors. eta vs tors. theta energy: -45.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -510.276167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.276167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.276167 (E_RNA)
where:
Base-Base interactions energy: -370.235
where: short stacking energy: -143.169
Base-Backbone interact. energy: -0.122
local terms energy: -139.918741
where:
bonds (distance) C4'-P energy: -22.450
bonds (distance) P-C4' energy: -28.313
flat angles C4'-P-C4' energy: -25.448
flat angles P-C4'-P energy: -20.144
tors. eta vs tors. theta energy: -43.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -476.146068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.146068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.146068 (E_RNA)
where:
Base-Base interactions energy: -348.268
where: short stacking energy: -135.043
Base-Backbone interact. energy: 0.961
local terms energy: -128.838937
where:
bonds (distance) C4'-P energy: -21.873
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -26.545
flat angles P-C4'-P energy: -19.202
tors. eta vs tors. theta energy: -41.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -566.228234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.228234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.228234 (E_RNA)
where:
Base-Base interactions energy: -408.173
where: short stacking energy: -158.155
Base-Backbone interact. energy: -0.682
local terms energy: -157.372696
where:
bonds (distance) C4'-P energy: -29.677
bonds (distance) P-C4' energy: -21.421
flat angles C4'-P-C4' energy: -31.859
flat angles P-C4'-P energy: -26.546
tors. eta vs tors. theta energy: -47.869
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: 2, replica: 5
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -558.561878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.561878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.561878 (E_RNA)
where:
Base-Base interactions energy: -406.113
where: short stacking energy: -159.850
Base-Backbone interact. energy: -1.497
local terms energy: -150.951864
where:
bonds (distance) C4'-P energy: -24.813
bonds (distance) P-C4' energy: -25.399
flat angles C4'-P-C4' energy: -32.116
flat angles P-C4'-P energy: -23.116
tors. eta vs tors. theta energy: -45.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -542.313840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.313840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.313840 (E_RNA)
where:
Base-Base interactions energy: -396.851
where: short stacking energy: -154.925
Base-Backbone interact. energy: -1.309
local terms energy: -144.153702
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -32.585
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: -44.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -537.509557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.509557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.509557 (E_RNA)
where:
Base-Base interactions energy: -390.303
where: short stacking energy: -153.347
Base-Backbone interact. energy: -1.162
local terms energy: -146.044906
where:
bonds (distance) C4'-P energy: -26.754
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -26.897
flat angles P-C4'-P energy: -23.569
tors. eta vs tors. theta energy: -46.667
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: 4
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -542.730582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.730582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.730582 (E_RNA)
where:
Base-Base interactions energy: -390.102
where: short stacking energy: -153.959
Base-Backbone interact. energy: -0.365
local terms energy: -152.263355
where:
bonds (distance) C4'-P energy: -28.769
bonds (distance) P-C4' energy: -24.724
flat angles C4'-P-C4' energy: -27.929
flat angles P-C4'-P energy: -25.103
tors. eta vs tors. theta energy: -45.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -524.017875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.017875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.017875 (E_RNA)
where:
Base-Base interactions energy: -386.040
where: short stacking energy: -141.701
Base-Backbone interact. energy: -0.284
local terms energy: -137.694489
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -25.117
flat angles C4'-P-C4' energy: -27.586
flat angles P-C4'-P energy: -22.528
tors. eta vs tors. theta energy: -43.765
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: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -524.483273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.483273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.483273 (E_RNA)
where:
Base-Base interactions energy: -377.212
where: short stacking energy: -147.706
Base-Backbone interact. energy: 0.000
local terms energy: -147.271429
where:
bonds (distance) C4'-P energy: -25.952
bonds (distance) P-C4' energy: -28.750
flat angles C4'-P-C4' energy: -31.557
flat angles P-C4'-P energy: -19.517
tors. eta vs tors. theta energy: -41.495
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: 3
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -511.900460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.900460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.900460 (E_RNA)
where:
Base-Base interactions energy: -374.610
where: short stacking energy: -146.365
Base-Backbone interact. energy: -0.109
local terms energy: -137.181325
where:
bonds (distance) C4'-P energy: -24.850
bonds (distance) P-C4' energy: -25.508
flat angles C4'-P-C4' energy: -26.126
flat angles P-C4'-P energy: -17.890
tors. eta vs tors. theta energy: -42.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -504.505514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.505514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.505514 (E_RNA)
where:
Base-Base interactions energy: -376.707
where: short stacking energy: -149.204
Base-Backbone interact. energy: -0.642
local terms energy: -127.156563
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -30.156
flat angles P-C4'-P energy: -16.891
tors. eta vs tors. theta energy: -45.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -506.245545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.245545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.245545 (E_RNA)
where:
Base-Base interactions energy: -362.701
where: short stacking energy: -136.328
Base-Backbone interact. energy: -0.653
local terms energy: -142.891902
where:
bonds (distance) C4'-P energy: -26.975
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -31.598
flat angles P-C4'-P energy: -18.081
tors. eta vs tors. theta energy: -42.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -562.050693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.050693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.050693 (E_RNA)
where:
Base-Base interactions energy: -409.203
where: short stacking energy: -160.955
Base-Backbone interact. energy: -0.861
local terms energy: -151.986921
where:
bonds (distance) C4'-P energy: -23.583
bonds (distance) P-C4' energy: -29.547
flat angles C4'-P-C4' energy: -27.146
flat angles P-C4'-P energy: -25.541
tors. eta vs tors. theta energy: -46.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -557.376673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.376673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.376673 (E_RNA)
where:
Base-Base interactions energy: -406.350
where: short stacking energy: -158.353
Base-Backbone interact. energy: -1.635
local terms energy: -149.391708
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -23.602
flat angles C4'-P-C4' energy: -32.524
flat angles P-C4'-P energy: -23.947
tors. eta vs tors. theta energy: -46.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -546.385464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.385464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.385464 (E_RNA)
where:
Base-Base interactions energy: -393.476
where: short stacking energy: -156.142
Base-Backbone interact. energy: -0.668
local terms energy: -152.242122
where:
bonds (distance) C4'-P energy: -30.799
bonds (distance) P-C4' energy: -21.842
flat angles C4'-P-C4' energy: -29.213
flat angles P-C4'-P energy: -24.640
tors. eta vs tors. theta energy: -45.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -542.520101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.520101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.520101 (E_RNA)
where:
Base-Base interactions energy: -390.174
where: short stacking energy: -149.891
Base-Backbone interact. energy: -0.584
local terms energy: -151.762223
where:
bonds (distance) C4'-P energy: -24.138
bonds (distance) P-C4' energy: -27.786
flat angles C4'-P-C4' energy: -29.610
flat angles P-C4'-P energy: -23.136
tors. eta vs tors. theta energy: -47.092
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: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -534.503934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.503934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.503934 (E_RNA)
where:
Base-Base interactions energy: -390.859
where: short stacking energy: -155.320
Base-Backbone interact. energy: -1.215
local terms energy: -142.429770
where:
bonds (distance) C4'-P energy: -24.776
bonds (distance) P-C4' energy: -26.158
flat angles C4'-P-C4' energy: -29.444
flat angles P-C4'-P energy: -17.932
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: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -517.896345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.896345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.896345 (E_RNA)
where:
Base-Base interactions energy: -369.710
where: short stacking energy: -139.001
Base-Backbone interact. energy: -1.636
local terms energy: -146.550587
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -27.180
flat angles C4'-P-C4' energy: -29.097
flat angles P-C4'-P energy: -22.496
tors. eta vs tors. theta energy: -44.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -526.474088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.474088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.474088 (E_RNA)
where:
Base-Base interactions energy: -388.114
where: short stacking energy: -153.759
Base-Backbone interact. energy: -0.002
local terms energy: -138.358151
where:
bonds (distance) C4'-P energy: -21.753
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -30.829
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -45.763
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: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -518.444001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.444001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.444001 (E_RNA)
where:
Base-Base interactions energy: -377.356
where: short stacking energy: -144.176
Base-Backbone interact. energy: -0.248
local terms energy: -140.839489
where:
bonds (distance) C4'-P energy: -23.187
bonds (distance) P-C4' energy: -27.879
flat angles C4'-P-C4' energy: -25.017
flat angles P-C4'-P energy: -19.144
tors. eta vs tors. theta energy: -45.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -504.290566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.290566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.290566 (E_RNA)
where:
Base-Base interactions energy: -369.564
where: short stacking energy: -145.488
Base-Backbone interact. energy: -0.163
local terms energy: -134.564056
where:
bonds (distance) C4'-P energy: -23.928
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -29.699
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -43.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -491.195648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.195648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.195648 (E_RNA)
where:
Base-Base interactions energy: -362.057
where: short stacking energy: -135.613
Base-Backbone interact. energy: -1.512
local terms energy: -127.627071
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -25.636
flat angles P-C4'-P energy: -19.761
tors. eta vs tors. theta energy: -43.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -562.591792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.591792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.591792 (E_RNA)
where:
Base-Base interactions energy: -404.141
where: short stacking energy: -155.219
Base-Backbone interact. energy: -0.912
local terms energy: -157.538863
where:
bonds (distance) C4'-P energy: -28.175
bonds (distance) P-C4' energy: -28.812
flat angles C4'-P-C4' energy: -31.899
flat angles P-C4'-P energy: -21.198
tors. eta vs tors. theta energy: -47.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -553.410504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.410504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.410504 (E_RNA)
where:
Base-Base interactions energy: -393.679
where: short stacking energy: -156.040
Base-Backbone interact. energy: -1.340
local terms energy: -158.391879
where:
bonds (distance) C4'-P energy: -26.301
bonds (distance) P-C4' energy: -30.410
flat angles C4'-P-C4' energy: -30.452
flat angles P-C4'-P energy: -22.468
tors. eta vs tors. theta energy: -48.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -560.404341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.404341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.404341 (E_RNA)
where:
Base-Base interactions energy: -402.838
where: short stacking energy: -155.206
Base-Backbone interact. energy: -1.422
local terms energy: -156.143509
where:
bonds (distance) C4'-P energy: -28.038
bonds (distance) P-C4' energy: -29.219
flat angles C4'-P-C4' energy: -30.120
flat angles P-C4'-P energy: -24.013
tors. eta vs tors. theta energy: -44.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -537.597231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.597231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.597231 (E_RNA)
where:
Base-Base interactions energy: -391.897
where: short stacking energy: -155.838
Base-Backbone interact. energy: -0.496
local terms energy: -145.204391
where:
bonds (distance) C4'-P energy: -23.762
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -31.114
flat angles P-C4'-P energy: -22.101
tors. eta vs tors. theta energy: -47.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -532.229120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.229120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.229120 (E_RNA)
where:
Base-Base interactions energy: -385.051
where: short stacking energy: -146.378
Base-Backbone interact. energy: -1.761
local terms energy: -145.417434
where:
bonds (distance) C4'-P energy: -23.017
bonds (distance) P-C4' energy: -26.654
flat angles C4'-P-C4' energy: -32.388
flat angles P-C4'-P energy: -17.878
tors. eta vs tors. theta energy: -45.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -516.605889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.605889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.605889 (E_RNA)
where:
Base-Base interactions energy: -375.881
where: short stacking energy: -144.009
Base-Backbone interact. energy: -0.094
local terms energy: -140.631276
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -26.123
flat angles C4'-P-C4' energy: -31.220
flat angles P-C4'-P energy: -20.577
tors. eta vs tors. theta energy: -40.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -533.020796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.020796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.020796 (E_RNA)
where:
Base-Base interactions energy: -384.539
where: short stacking energy: -150.113
Base-Backbone interact. energy: -0.023
local terms energy: -148.458499
where:
bonds (distance) C4'-P energy: -23.122
bonds (distance) P-C4' energy: -22.632
flat angles C4'-P-C4' energy: -34.396
flat angles P-C4'-P energy: -23.358
tors. eta vs tors. theta energy: -44.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -505.094588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.094588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.094588 (E_RNA)
where:
Base-Base interactions energy: -378.758
where: short stacking energy: -144.223
Base-Backbone interact. energy: -0.023
local terms energy: -126.313437
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -26.283
flat angles P-C4'-P energy: -19.553
tors. eta vs tors. theta energy: -40.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -488.601025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.601025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.601025 (E_RNA)
where:
Base-Base interactions energy: -345.714
where: short stacking energy: -138.750
Base-Backbone interact. energy: -0.741
local terms energy: -142.146318
where:
bonds (distance) C4'-P energy: -26.805
bonds (distance) P-C4' energy: -24.948
flat angles C4'-P-C4' energy: -32.546
flat angles P-C4'-P energy: -18.414
tors. eta vs tors. theta energy: -39.434
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: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -500.428787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.428787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.428787 (E_RNA)
where:
Base-Base interactions energy: -361.799
where: short stacking energy: -140.836
Base-Backbone interact. energy: -0.213
local terms energy: -138.416558
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -27.548
flat angles C4'-P-C4' energy: -27.264
flat angles P-C4'-P energy: -20.288
tors. eta vs tors. theta energy: -41.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -569.220064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.220064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.220064 (E_RNA)
where:
Base-Base interactions energy: -408.324
where: short stacking energy: -160.500
Base-Backbone interact. energy: -1.390
local terms energy: -159.506045
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -27.180
flat angles C4'-P-C4' energy: -31.272
flat angles P-C4'-P energy: -23.878
tors. eta vs tors. theta energy: -48.595
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: 9
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -552.148698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.148698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.148698 (E_RNA)
where:
Base-Base interactions energy: -395.908
where: short stacking energy: -154.638
Base-Backbone interact. energy: -1.754
local terms energy: -154.486416
where:
bonds (distance) C4'-P energy: -26.525
bonds (distance) P-C4' energy: -26.521
flat angles C4'-P-C4' energy: -29.385
flat angles P-C4'-P energy: -25.327
tors. eta vs tors. theta energy: -46.728
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: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -551.227152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.227152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.227152 (E_RNA)
where:
Base-Base interactions energy: -407.576
where: short stacking energy: -159.989
Base-Backbone interact. energy: -0.001
local terms energy: -143.649460
where:
bonds (distance) C4'-P energy: -23.825
bonds (distance) P-C4' energy: -22.173
flat angles C4'-P-C4' energy: -27.292
flat angles P-C4'-P energy: -22.352
tors. eta vs tors. theta energy: -48.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -532.513095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.513095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.513095 (E_RNA)
where:
Base-Base interactions energy: -386.517
where: short stacking energy: -146.703
Base-Backbone interact. energy: -0.025
local terms energy: -145.970642
where:
bonds (distance) C4'-P energy: -27.099
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -26.241
flat angles P-C4'-P energy: -22.905
tors. eta vs tors. theta energy: -45.010
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: 206
Temperature: 1.100000
Total energy: -542.203467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.203467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.203467 (E_RNA)
where:
Base-Base interactions energy: -388.083
where: short stacking energy: -155.300
Base-Backbone interact. energy: -0.043
local terms energy: -154.077693
where:
bonds (distance) C4'-P energy: -30.062
bonds (distance) P-C4' energy: -30.006
flat angles C4'-P-C4' energy: -27.177
flat angles P-C4'-P energy: -19.954
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: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -526.015291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.015291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.015291 (E_RNA)
where:
Base-Base interactions energy: -391.243
where: short stacking energy: -154.509
Base-Backbone interact. energy: -0.656
local terms energy: -134.116619
where:
bonds (distance) C4'-P energy: -22.051
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -29.631
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -47.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -521.480415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.480415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.480415 (E_RNA)
where:
Base-Base interactions energy: -382.613
where: short stacking energy: -154.458
Base-Backbone interact. energy: -1.991
local terms energy: -136.876571
where:
bonds (distance) C4'-P energy: -26.055
bonds (distance) P-C4' energy: -24.430
flat angles C4'-P-C4' energy: -24.585
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -47.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -505.757542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.757542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.757542 (E_RNA)
where:
Base-Base interactions energy: -369.873
where: short stacking energy: -137.703
Base-Backbone interact. energy: -0.766
local terms energy: -135.118046
where:
bonds (distance) C4'-P energy: -24.081
bonds (distance) P-C4' energy: -24.087
flat angles C4'-P-C4' energy: -30.013
flat angles P-C4'-P energy: -14.472
tors. eta vs tors. theta energy: -42.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -496.817986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.817986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.817986 (E_RNA)
where:
Base-Base interactions energy: -361.683
where: short stacking energy: -138.067
Base-Backbone interact. energy: -0.252
local terms energy: -134.882959
where:
bonds (distance) C4'-P energy: -25.541
bonds (distance) P-C4' energy: -25.547
flat angles C4'-P-C4' energy: -24.918
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -43.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -481.693057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.693057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.693057 (E_RNA)
where:
Base-Base interactions energy: -351.160
where: short stacking energy: -140.058
Base-Backbone interact. energy: -0.027
local terms energy: -130.505479
where:
bonds (distance) C4'-P energy: -24.540
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -25.540
flat angles P-C4'-P energy: -17.243
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: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -558.563778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.563778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.563778 (E_RNA)
where:
Base-Base interactions energy: -402.854
where: short stacking energy: -158.046
Base-Backbone interact. energy: -0.863
local terms energy: -154.846260
where:
bonds (distance) C4'-P energy: -28.662
bonds (distance) P-C4' energy: -31.055
flat angles C4'-P-C4' energy: -28.875
flat angles P-C4'-P energy: -18.321
tors. eta vs tors. theta energy: -47.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -549.180806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.180806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.180806 (E_RNA)
where:
Base-Base interactions energy: -404.402
where: short stacking energy: -156.823
Base-Backbone interact. energy: -0.161
local terms energy: -144.617779
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -23.735
flat angles C4'-P-C4' energy: -29.943
flat angles P-C4'-P energy: -23.024
tors. eta vs tors. theta energy: -44.505
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: 9
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -543.609749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.609749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.609749 (E_RNA)
where:
Base-Base interactions energy: -389.230
where: short stacking energy: -153.708
Base-Backbone interact. energy: 0.924
local terms energy: -155.303952
where:
bonds (distance) C4'-P energy: -26.428
bonds (distance) P-C4' energy: -27.268
flat angles C4'-P-C4' energy: -31.323
flat angles P-C4'-P energy: -21.733
tors. eta vs tors. theta energy: -48.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -529.139042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.139042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.139042 (E_RNA)
where:
Base-Base interactions energy: -385.702
where: short stacking energy: -145.703
Base-Backbone interact. energy: -1.012
local terms energy: -142.425569
where:
bonds (distance) C4'-P energy: -26.460
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -31.372
flat angles P-C4'-P energy: -18.012
tors. eta vs tors. theta energy: -46.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -537.952225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.952225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.952225 (E_RNA)
where:
Base-Base interactions energy: -381.270
where: short stacking energy: -152.086
Base-Backbone interact. energy: -0.558
local terms energy: -156.124236
where:
bonds (distance) C4'-P energy: -25.226
bonds (distance) P-C4' energy: -28.614
flat angles C4'-P-C4' energy: -31.400
flat angles P-C4'-P energy: -23.082
tors. eta vs tors. theta energy: -47.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -524.492231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.492231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.492231 (E_RNA)
where:
Base-Base interactions energy: -387.662
where: short stacking energy: -155.890
Base-Backbone interact. energy: -0.074
local terms energy: -136.755547
where:
bonds (distance) C4'-P energy: -27.273
bonds (distance) P-C4' energy: -24.432
flat angles C4'-P-C4' energy: -25.054
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -43.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -520.025735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.025735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.025735 (E_RNA)
where:
Base-Base interactions energy: -388.670
where: short stacking energy: -146.600
Base-Backbone interact. energy: -0.823
local terms energy: -130.532161
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -23.446
flat angles C4'-P-C4' energy: -24.860
flat angles P-C4'-P energy: -18.524
tors. eta vs tors. theta energy: -44.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -504.581597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.581597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.581597 (E_RNA)
where:
Base-Base interactions energy: -376.928
where: short stacking energy: -143.654
Base-Backbone interact. energy: -0.755
local terms energy: -126.898284
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -23.216
flat angles C4'-P-C4' energy: -27.498
flat angles P-C4'-P energy: -18.025
tors. eta vs tors. theta energy: -41.059
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: 9, replica: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -497.979558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.979558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.979558 (E_RNA)
where:
Base-Base interactions energy: -359.865
where: short stacking energy: -133.890
Base-Backbone interact. energy: -0.157
local terms energy: -137.957397
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -23.302
flat angles C4'-P-C4' energy: -31.438
flat angles P-C4'-P energy: -18.609
tors. eta vs tors. theta energy: -45.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -493.168328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.168328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.168328 (E_RNA)
where:
Base-Base interactions energy: -355.373
where: short stacking energy: -138.252
Base-Backbone interact. energy: -0.001
local terms energy: -137.793879
where:
bonds (distance) C4'-P energy: -25.628
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -28.553
flat angles P-C4'-P energy: -16.447
tors. eta vs tors. theta energy: -44.534
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: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -558.819127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.819127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.819127 (E_RNA)
where:
Base-Base interactions energy: -406.289
where: short stacking energy: -160.006
Base-Backbone interact. energy: -0.002
local terms energy: -152.528321
where:
bonds (distance) C4'-P energy: -29.153
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -32.187
flat angles P-C4'-P energy: -23.534
tors. eta vs tors. theta energy: -47.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -554.014067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.014067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.014067 (E_RNA)
where:
Base-Base interactions energy: -404.168
where: short stacking energy: -160.325
Base-Backbone interact. energy: -0.764
local terms energy: -149.082408
where:
bonds (distance) C4'-P energy: -26.179
bonds (distance) P-C4' energy: -27.145
flat angles C4'-P-C4' energy: -26.352
flat angles P-C4'-P energy: -24.202
tors. eta vs tors. theta energy: -45.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -554.991900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.991900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.991900 (E_RNA)
where:
Base-Base interactions energy: -404.516
where: short stacking energy: -161.136
Base-Backbone interact. energy: -0.014
local terms energy: -150.461921
where:
bonds (distance) C4'-P energy: -24.669
bonds (distance) P-C4' energy: -26.052
flat angles C4'-P-C4' energy: -29.151
flat angles P-C4'-P energy: -23.550
tors. eta vs tors. theta energy: -47.040
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: 208
Temperature: 1.050000
Total energy: -530.130900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.130900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.130900 (E_RNA)
where:
Base-Base interactions energy: -386.523
where: short stacking energy: -153.233
Base-Backbone interact. energy: -0.043
local terms energy: -143.564101
where:
bonds (distance) C4'-P energy: -19.125
bonds (distance) P-C4' energy: -25.344
flat angles C4'-P-C4' energy: -29.763
flat angles P-C4'-P energy: -22.594
tors. eta vs tors. theta energy: -46.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -533.561311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.561311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.561311 (E_RNA)
where:
Base-Base interactions energy: -389.375
where: short stacking energy: -152.081
Base-Backbone interact. energy: -2.061
local terms energy: -142.125108
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -27.587
flat angles C4'-P-C4' energy: -29.324
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -43.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -534.434208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.434208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.434208 (E_RNA)
where:
Base-Base interactions energy: -388.517
where: short stacking energy: -156.306
Base-Backbone interact. energy: -0.006
local terms energy: -145.911296
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -28.689
flat angles C4'-P-C4' energy: -30.790
flat angles P-C4'-P energy: -20.710
tors. eta vs tors. theta energy: -47.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -520.042639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.042639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.042639 (E_RNA)
where:
Base-Base interactions energy: -370.743
where: short stacking energy: -147.808
Base-Backbone interact. energy: 0.355
local terms energy: -149.654700
where:
bonds (distance) C4'-P energy: -26.178
bonds (distance) P-C4' energy: -26.201
flat angles C4'-P-C4' energy: -31.411
flat angles P-C4'-P energy: -20.265
tors. eta vs tors. theta energy: -45.600
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: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -506.432469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.432469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.432469 (E_RNA)
where:
Base-Base interactions energy: -384.834
where: short stacking energy: -152.413
Base-Backbone interact. energy: -0.126
local terms energy: -121.473026
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -22.130
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: -45.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -502.561174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.561174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.561174 (E_RNA)
where:
Base-Base interactions energy: -364.855
where: short stacking energy: -143.515
Base-Backbone interact. energy: -0.041
local terms energy: -137.665860
where:
bonds (distance) C4'-P energy: -21.514
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -31.747
flat angles P-C4'-P energy: -19.049
tors. eta vs tors. theta energy: -43.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -497.916887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.916887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.916887 (E_RNA)
where:
Base-Base interactions energy: -364.079
where: short stacking energy: -147.671
Base-Backbone interact. energy: 1.565
local terms energy: -135.403309
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -27.608
flat angles C4'-P-C4' energy: -33.483
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -43.653
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: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -563.563988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.563988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.563988 (E_RNA)
where:
Base-Base interactions energy: -411.033
where: short stacking energy: -159.726
Base-Backbone interact. energy: -0.676
local terms energy: -151.855320
where:
bonds (distance) C4'-P energy: -26.117
bonds (distance) P-C4' energy: -23.546
flat angles C4'-P-C4' energy: -31.757
flat angles P-C4'-P energy: -21.655
tors. eta vs tors. theta energy: -48.781
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: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -561.656114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.656114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.656114 (E_RNA)
where:
Base-Base interactions energy: -400.245
where: short stacking energy: -158.649
Base-Backbone interact. energy: -0.479
local terms energy: -160.932092
where:
bonds (distance) C4'-P energy: -26.356
bonds (distance) P-C4' energy: -30.256
flat angles C4'-P-C4' energy: -32.566
flat angles P-C4'-P energy: -25.255
tors. eta vs tors. theta energy: -46.498
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: 9
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -543.272941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.272941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.272941 (E_RNA)
where:
Base-Base interactions energy: -389.378
where: short stacking energy: -155.032
Base-Backbone interact. energy: -1.975
local terms energy: -151.919811
where:
bonds (distance) C4'-P energy: -25.764
bonds (distance) P-C4' energy: -30.991
flat angles C4'-P-C4' energy: -26.524
flat angles P-C4'-P energy: -22.251
tors. eta vs tors. theta energy: -46.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -551.494999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.494999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.494999 (E_RNA)
where:
Base-Base interactions energy: -394.812
where: short stacking energy: -149.988
Base-Backbone interact. energy: -0.369
local terms energy: -156.314742
where:
bonds (distance) C4'-P energy: -28.939
bonds (distance) P-C4' energy: -26.768
flat angles C4'-P-C4' energy: -29.084
flat angles P-C4'-P energy: -23.874
tors. eta vs tors. theta energy: -47.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -547.114312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.114312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.114312 (E_RNA)
where:
Base-Base interactions energy: -394.539
where: short stacking energy: -153.501
Base-Backbone interact. energy: -1.310
local terms energy: -151.265291
where:
bonds (distance) C4'-P energy: -29.487
bonds (distance) P-C4' energy: -28.514
flat angles C4'-P-C4' energy: -27.607
flat angles P-C4'-P energy: -22.016
tors. eta vs tors. theta energy: -43.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -526.610206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.610206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.610206 (E_RNA)
where:
Base-Base interactions energy: -381.783
where: short stacking energy: -148.007
Base-Backbone interact. energy: -1.093
local terms energy: -143.733894
where:
bonds (distance) C4'-P energy: -26.538
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -24.655
flat angles P-C4'-P energy: -19.528
tors. eta vs tors. theta energy: -47.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -530.962361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.962361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.962361 (E_RNA)
where:
Base-Base interactions energy: -389.067
where: short stacking energy: -149.892
Base-Backbone interact. energy: -1.158
local terms energy: -140.737655
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -28.641
flat angles P-C4'-P energy: -21.048
tors. eta vs tors. theta energy: -46.480
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: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -522.719728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.719728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.719728 (E_RNA)
where:
Base-Base interactions energy: -380.093
where: short stacking energy: -147.932
Base-Backbone interact. energy: -0.282
local terms energy: -142.345259
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -28.912
flat angles P-C4'-P energy: -21.854
tors. eta vs tors. theta energy: -44.705
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: 209
Temperature: 1.300000
Total energy: -514.284800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.284800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.284800 (E_RNA)
where:
Base-Base interactions energy: -384.419
where: short stacking energy: -149.058
Base-Backbone interact. energy: -0.706
local terms energy: -129.160126
where:
bonds (distance) C4'-P energy: -21.414
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -26.761
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -43.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -504.537167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.537167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.537167 (E_RNA)
where:
Base-Base interactions energy: -377.824
where: short stacking energy: -143.787
Base-Backbone interact. energy: -1.059
local terms energy: -125.654298
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -27.500
flat angles P-C4'-P energy: -20.051
tors. eta vs tors. theta energy: -42.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -559.535027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.535027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.535027 (E_RNA)
where:
Base-Base interactions energy: -398.593
where: short stacking energy: -158.578
Base-Backbone interact. energy: -1.574
local terms energy: -159.368014
where:
bonds (distance) C4'-P energy: -30.051
bonds (distance) P-C4' energy: -28.233
flat angles C4'-P-C4' energy: -30.947
flat angles P-C4'-P energy: -24.434
tors. eta vs tors. theta energy: -45.703
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: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -547.066318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.066318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.066318 (E_RNA)
where:
Base-Base interactions energy: -398.130
where: short stacking energy: -153.166
Base-Backbone interact. energy: -1.050
local terms energy: -147.885852
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -29.424
flat angles C4'-P-C4' energy: -27.479
flat angles P-C4'-P energy: -22.695
tors. eta vs tors. theta energy: -47.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -548.037843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.037843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.037843 (E_RNA)
where:
Base-Base interactions energy: -400.523
where: short stacking energy: -154.752
Base-Backbone interact. energy: -0.041
local terms energy: -147.473940
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -23.761
flat angles C4'-P-C4' energy: -31.292
flat angles P-C4'-P energy: -25.040
tors. eta vs tors. theta energy: -47.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -550.866057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.866057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.866057 (E_RNA)
where:
Base-Base interactions energy: -403.401
where: short stacking energy: -157.428
Base-Backbone interact. energy: -1.169
local terms energy: -146.296031
where:
bonds (distance) C4'-P energy: -25.736
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -30.738
flat angles P-C4'-P energy: -23.737
tors. eta vs tors. theta energy: -45.902
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: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -535.575803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.575803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.575803 (E_RNA)
where:
Base-Base interactions energy: -397.670
where: short stacking energy: -150.956
Base-Backbone interact. energy: -0.005
local terms energy: -137.901542
where:
bonds (distance) C4'-P energy: -19.845
bonds (distance) P-C4' energy: -24.948
flat angles C4'-P-C4' energy: -26.572
flat angles P-C4'-P energy: -18.297
tors. eta vs tors. theta energy: -48.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -529.085378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.085378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.085378 (E_RNA)
where:
Base-Base interactions energy: -390.008
where: short stacking energy: -153.479
Base-Backbone interact. energy: 1.023
local terms energy: -140.100524
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -25.254
flat angles C4'-P-C4' energy: -29.245
flat angles P-C4'-P energy: -20.020
tors. eta vs tors. theta energy: -46.013
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: 5
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -524.206919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.206919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.206919 (E_RNA)
where:
Base-Base interactions energy: -392.394
where: short stacking energy: -149.781
Base-Backbone interact. energy: 0.731
local terms energy: -132.543883
where:
bonds (distance) C4'-P energy: -26.950
bonds (distance) P-C4' energy: -22.044
flat angles C4'-P-C4' energy: -23.901
flat angles P-C4'-P energy: -15.966
tors. eta vs tors. theta energy: -43.683
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: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -514.806676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.806676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.806676 (E_RNA)
where:
Base-Base interactions energy: -383.947
where: short stacking energy: -148.988
Base-Backbone interact. energy: -1.002
local terms energy: -129.858150
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -22.962
flat angles C4'-P-C4' energy: -28.730
flat angles P-C4'-P energy: -16.087
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: 9, replica: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -516.405467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.405467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.405467 (E_RNA)
where:
Base-Base interactions energy: -380.204
where: short stacking energy: -146.737
Base-Backbone interact. energy: -0.750
local terms energy: -135.450810
where:
bonds (distance) C4'-P energy: -27.876
bonds (distance) P-C4' energy: -23.710
flat angles C4'-P-C4' energy: -28.160
flat angles P-C4'-P energy: -15.687
tors. eta vs tors. theta energy: -40.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -500.674103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.674103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.674103 (E_RNA)
where:
Base-Base interactions energy: -366.867
where: short stacking energy: -133.305
Base-Backbone interact. energy: -0.556
local terms energy: -133.251063
where:
bonds (distance) C4'-P energy: -22.350
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -26.000
flat angles P-C4'-P energy: -23.549
tors. eta vs tors. theta energy: -45.030
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: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -568.834858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.834858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.834858 (E_RNA)
where:
Base-Base interactions energy: -409.969
where: short stacking energy: -160.870
Base-Backbone interact. energy: -0.482
local terms energy: -158.384308
where:
bonds (distance) C4'-P energy: -27.903
bonds (distance) P-C4' energy: -26.758
flat angles C4'-P-C4' energy: -30.592
flat angles P-C4'-P energy: -23.998
tors. eta vs tors. theta energy: -49.133
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: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -557.711875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.711875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.711875 (E_RNA)
where:
Base-Base interactions energy: -404.269
where: short stacking energy: -158.606
Base-Backbone interact. energy: -1.073
local terms energy: -152.369812
where:
bonds (distance) C4'-P energy: -23.798
bonds (distance) P-C4' energy: -25.930
flat angles C4'-P-C4' energy: -31.112
flat angles P-C4'-P energy: -25.231
tors. eta vs tors. theta energy: -46.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -545.719391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.719391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.719391 (E_RNA)
where:
Base-Base interactions energy: -395.114
where: short stacking energy: -151.009
Base-Backbone interact. energy: -0.838
local terms energy: -149.767090
where:
bonds (distance) C4'-P energy: -27.577
bonds (distance) P-C4' energy: -27.964
flat angles C4'-P-C4' energy: -26.153
flat angles P-C4'-P energy: -22.151
tors. eta vs tors. theta energy: -45.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -539.899360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.899360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.899360 (E_RNA)
where:
Base-Base interactions energy: -387.006
where: short stacking energy: -153.650
Base-Backbone interact. energy: -0.010
local terms energy: -152.883334
where:
bonds (distance) C4'-P energy: -25.792
bonds (distance) P-C4' energy: -27.472
flat angles C4'-P-C4' energy: -28.340
flat angles P-C4'-P energy: -24.854
tors. eta vs tors. theta energy: -46.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -543.475953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.475953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.475953 (E_RNA)
where:
Base-Base interactions energy: -386.322
where: short stacking energy: -148.562
Base-Backbone interact. energy: -1.872
local terms energy: -155.282416
where:
bonds (distance) C4'-P energy: -26.937
bonds (distance) P-C4' energy: -30.512
flat angles C4'-P-C4' energy: -29.813
flat angles P-C4'-P energy: -21.878
tors. eta vs tors. theta energy: -46.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -522.639947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.639947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.639947 (E_RNA)
where:
Base-Base interactions energy: -384.749
where: short stacking energy: -145.657
Base-Backbone interact. energy: 0.445
local terms energy: -138.335722
where:
bonds (distance) C4'-P energy: -22.826
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -31.880
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -43.630
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: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -527.036580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.036580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.036580 (E_RNA)
where:
Base-Base interactions energy: -388.860
where: short stacking energy: -148.112
Base-Backbone interact. energy: -1.261
local terms energy: -136.915587
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -26.754
flat angles P-C4'-P energy: -22.031
tors. eta vs tors. theta energy: -47.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -509.681066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.681066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.681066 (E_RNA)
where:
Base-Base interactions energy: -374.486
where: short stacking energy: -147.475
Base-Backbone interact. energy: -0.047
local terms energy: -135.147829
where:
bonds (distance) C4'-P energy: -22.233
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -26.721
flat angles P-C4'-P energy: -20.437
tors. eta vs tors. theta energy: -45.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -501.851847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.851847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.851847 (E_RNA)
where:
Base-Base interactions energy: -365.529
where: short stacking energy: -144.684
Base-Backbone interact. energy: -0.017
local terms energy: -136.305458
where:
bonds (distance) C4'-P energy: -22.882
bonds (distance) P-C4' energy: -23.919
flat angles C4'-P-C4' energy: -27.916
flat angles P-C4'-P energy: -21.520
tors. eta vs tors. theta energy: -40.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -498.421389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.421389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.421389 (E_RNA)
where:
Base-Base interactions energy: -366.602
where: short stacking energy: -144.950
Base-Backbone interact. energy: -0.299
local terms energy: -131.520469
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -24.480
flat angles C4'-P-C4' energy: -29.796
flat angles P-C4'-P energy: -19.023
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: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -564.814992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.814992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.814992 (E_RNA)
where:
Base-Base interactions energy: -410.213
where: short stacking energy: -161.000
Base-Backbone interact. energy: -0.000
local terms energy: -154.601379
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -26.587
flat angles C4'-P-C4' energy: -33.822
flat angles P-C4'-P energy: -19.756
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: 2, replica: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -555.213733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.213733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.213733 (E_RNA)
where:
Base-Base interactions energy: -400.816
where: short stacking energy: -154.817
Base-Backbone interact. energy: -0.358
local terms energy: -154.039876
where:
bonds (distance) C4'-P energy: -28.961
bonds (distance) P-C4' energy: -27.622
flat angles C4'-P-C4' energy: -26.765
flat angles P-C4'-P energy: -24.508
tors. eta vs tors. theta energy: -46.184
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: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -544.802797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.802797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.802797 (E_RNA)
where:
Base-Base interactions energy: -390.897
where: short stacking energy: -155.243
Base-Backbone interact. energy: -0.187
local terms energy: -153.718236
where:
bonds (distance) C4'-P energy: -24.541
bonds (distance) P-C4' energy: -26.546
flat angles C4'-P-C4' energy: -33.716
flat angles P-C4'-P energy: -21.863
tors. eta vs tors. theta energy: -47.052
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: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -549.110277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.110277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.110277 (E_RNA)
where:
Base-Base interactions energy: -404.403
where: short stacking energy: -155.053
Base-Backbone interact. energy: -0.427
local terms energy: -144.280678
where:
bonds (distance) C4'-P energy: -28.547
bonds (distance) P-C4' energy: -28.444
flat angles C4'-P-C4' energy: -27.975
flat angles P-C4'-P energy: -17.003
tors. eta vs tors. theta energy: -42.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -528.733241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.733241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.733241 (E_RNA)
where:
Base-Base interactions energy: -387.343
where: short stacking energy: -149.991
Base-Backbone interact. energy: -0.009
local terms energy: -141.381168
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -27.148
flat angles C4'-P-C4' energy: -31.579
flat angles P-C4'-P energy: -19.530
tors. eta vs tors. theta energy: -43.994
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: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -515.396386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.396386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.396386 (E_RNA)
where:
Base-Base interactions energy: -377.779
where: short stacking energy: -151.899
Base-Backbone interact. energy: -0.633
local terms energy: -136.984271
where:
bonds (distance) C4'-P energy: -24.929
bonds (distance) P-C4' energy: -24.871
flat angles C4'-P-C4' energy: -26.632
flat angles P-C4'-P energy: -17.818
tors. eta vs tors. theta energy: -42.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -515.599206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.599206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.599206 (E_RNA)
where:
Base-Base interactions energy: -376.046
where: short stacking energy: -154.796
Base-Backbone interact. energy: -0.015
local terms energy: -139.538392
where:
bonds (distance) C4'-P energy: -22.142
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -29.792
flat angles P-C4'-P energy: -20.972
tors. eta vs tors. theta energy: -46.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -513.218583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.218583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.218583 (E_RNA)
where:
Base-Base interactions energy: -381.435
where: short stacking energy: -148.722
Base-Backbone interact. energy: 0.459
local terms energy: -132.241840
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -24.122
flat angles C4'-P-C4' energy: -27.580
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -45.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -490.010933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.010933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.010933 (E_RNA)
where:
Base-Base interactions energy: -363.610
where: short stacking energy: -144.189
Base-Backbone interact. energy: -0.023
local terms energy: -126.378182
where:
bonds (distance) C4'-P energy: -30.688
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -23.927
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -42.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -483.780505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.780505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.780505 (E_RNA)
where:
Base-Base interactions energy: -359.702
where: short stacking energy: -131.998
Base-Backbone interact. energy: -0.155
local terms energy: -123.923406
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -23.138
flat angles C4'-P-C4' energy: -22.059
flat angles P-C4'-P energy: -16.348
tors. eta vs tors. theta energy: -40.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -560.921091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.921091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.921091 (E_RNA)
where:
Base-Base interactions energy: -400.349
where: short stacking energy: -160.837
Base-Backbone interact. energy: -0.064
local terms energy: -160.508082
where:
bonds (distance) C4'-P energy: -29.494
bonds (distance) P-C4' energy: -30.435
flat angles C4'-P-C4' energy: -30.525
flat angles P-C4'-P energy: -23.244
tors. eta vs tors. theta energy: -46.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -550.444800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.444800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.444800 (E_RNA)
where:
Base-Base interactions energy: -397.365
where: short stacking energy: -156.238
Base-Backbone interact. energy: -0.589
local terms energy: -152.491248
where:
bonds (distance) C4'-P energy: -25.794
bonds (distance) P-C4' energy: -30.110
flat angles C4'-P-C4' energy: -31.640
flat angles P-C4'-P energy: -21.549
tors. eta vs tors. theta energy: -43.398
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: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -555.131848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.131848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.131848 (E_RNA)
where:
Base-Base interactions energy: -397.723
where: short stacking energy: -159.656
Base-Backbone interact. energy: -0.720
local terms energy: -156.688832
where:
bonds (distance) C4'-P energy: -24.165
bonds (distance) P-C4' energy: -27.711
flat angles C4'-P-C4' energy: -32.146
flat angles P-C4'-P energy: -25.702
tors. eta vs tors. theta energy: -46.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -545.867164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.867164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.867164 (E_RNA)
where:
Base-Base interactions energy: -393.369
where: short stacking energy: -153.092
Base-Backbone interact. energy: -0.038
local terms energy: -152.459760
where:
bonds (distance) C4'-P energy: -32.202
bonds (distance) P-C4' energy: -30.509
flat angles C4'-P-C4' energy: -26.106
flat angles P-C4'-P energy: -19.877
tors. eta vs tors. theta energy: -43.766
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: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -533.883102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.883102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.883102 (E_RNA)
where:
Base-Base interactions energy: -393.671
where: short stacking energy: -145.033
Base-Backbone interact. energy: -0.089
local terms energy: -140.123232
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -21.506
flat angles C4'-P-C4' energy: -31.216
flat angles P-C4'-P energy: -25.746
tors. eta vs tors. theta energy: -40.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -526.851711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.851711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.851711 (E_RNA)
where:
Base-Base interactions energy: -382.999
where: short stacking energy: -152.574
Base-Backbone interact. energy: -0.013
local terms energy: -143.839937
where:
bonds (distance) C4'-P energy: -24.498
bonds (distance) P-C4' energy: -23.473
flat angles C4'-P-C4' energy: -29.077
flat angles P-C4'-P energy: -19.906
tors. eta vs tors. theta energy: -46.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -526.044842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.044842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.044842 (E_RNA)
where:
Base-Base interactions energy: -384.149
where: short stacking energy: -149.915
Base-Backbone interact. energy: -0.405
local terms energy: -141.490329
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -26.601
flat angles C4'-P-C4' energy: -29.353
flat angles P-C4'-P energy: -15.961
tors. eta vs tors. theta energy: -47.454
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: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -509.953722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.953722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.953722 (E_RNA)
where:
Base-Base interactions energy: -369.550
where: short stacking energy: -144.359
Base-Backbone interact. energy: -0.009
local terms energy: -140.395167
where:
bonds (distance) C4'-P energy: -25.918
bonds (distance) P-C4' energy: -21.282
flat angles C4'-P-C4' energy: -28.705
flat angles P-C4'-P energy: -17.643
tors. eta vs tors. theta energy: -46.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -487.647682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.647682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.647682 (E_RNA)
where:
Base-Base interactions energy: -355.257
where: short stacking energy: -133.016
Base-Backbone interact. energy: -0.016
local terms energy: -132.375261
where:
bonds (distance) C4'-P energy: -23.493
bonds (distance) P-C4' energy: -23.072
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -22.844
tors. eta vs tors. theta energy: -41.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -494.666599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.666599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.666599 (E_RNA)
where:
Base-Base interactions energy: -363.350
where: short stacking energy: -136.276
Base-Backbone interact. energy: -0.034
local terms energy: -131.282805
where:
bonds (distance) C4'-P energy: -25.235
bonds (distance) P-C4' energy: -24.547
flat angles C4'-P-C4' energy: -27.211
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -40.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -554.621530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.621530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.621530 (E_RNA)
where:
Base-Base interactions energy: -405.331
where: short stacking energy: -156.754
Base-Backbone interact. energy: -0.372
local terms energy: -148.917935
where:
bonds (distance) C4'-P energy: -28.770
bonds (distance) P-C4' energy: -27.915
flat angles C4'-P-C4' energy: -26.769
flat angles P-C4'-P energy: -22.012
tors. eta vs tors. theta energy: -43.451
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: 214
Temperature: 0.950000
Total energy: -552.251446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.251446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.251446 (E_RNA)
where:
Base-Base interactions energy: -395.737
where: short stacking energy: -158.558
Base-Backbone interact. energy: -0.347
local terms energy: -156.167392
where:
bonds (distance) C4'-P energy: -28.609
bonds (distance) P-C4' energy: -28.029
flat angles C4'-P-C4' energy: -30.554
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -49.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -552.596024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.596024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.596024 (E_RNA)
where:
Base-Base interactions energy: -399.347
where: short stacking energy: -156.364
Base-Backbone interact. energy: -1.313
local terms energy: -151.936652
where:
bonds (distance) C4'-P energy: -24.148
bonds (distance) P-C4' energy: -26.993
flat angles C4'-P-C4' energy: -27.657
flat angles P-C4'-P energy: -26.656
tors. eta vs tors. theta energy: -46.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -539.677621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.677621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.677621 (E_RNA)
where:
Base-Base interactions energy: -392.202
where: short stacking energy: -159.008
Base-Backbone interact. energy: -0.288
local terms energy: -147.187743
where:
bonds (distance) C4'-P energy: -27.255
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -32.501
flat angles P-C4'-P energy: -21.580
tors. eta vs tors. theta energy: -46.949
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: 5, replica: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -536.143545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.143545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.143545 (E_RNA)
where:
Base-Base interactions energy: -394.266
where: short stacking energy: -155.274
Base-Backbone interact. energy: -0.239
local terms energy: -141.638387
where:
bonds (distance) C4'-P energy: -25.997
bonds (distance) P-C4' energy: -24.958
flat angles C4'-P-C4' energy: -27.819
flat angles P-C4'-P energy: -18.456
tors. eta vs tors. theta energy: -44.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -533.091321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.091321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.091321 (E_RNA)
where:
Base-Base interactions energy: -384.373
where: short stacking energy: -152.738
Base-Backbone interact. energy: -0.755
local terms energy: -147.962731
where:
bonds (distance) C4'-P energy: -25.244
bonds (distance) P-C4' energy: -29.701
flat angles C4'-P-C4' energy: -28.858
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -46.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -512.204866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.204866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.204866 (E_RNA)
where:
Base-Base interactions energy: -371.784
where: short stacking energy: -143.970
Base-Backbone interact. energy: -0.692
local terms energy: -139.729312
where:
bonds (distance) C4'-P energy: -24.523
bonds (distance) P-C4' energy: -27.017
flat angles C4'-P-C4' energy: -25.253
flat angles P-C4'-P energy: -19.392
tors. eta vs tors. theta energy: -43.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -511.119729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.119729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.119729 (E_RNA)
where:
Base-Base interactions energy: -371.665
where: short stacking energy: -142.068
Base-Backbone interact. energy: -0.579
local terms energy: -138.875917
where:
bonds (distance) C4'-P energy: -27.587
bonds (distance) P-C4' energy: -21.431
flat angles C4'-P-C4' energy: -26.685
flat angles P-C4'-P energy: -20.131
tors. eta vs tors. theta energy: -43.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -493.613154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.613154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.613154 (E_RNA)
where:
Base-Base interactions energy: -360.631
where: short stacking energy: -135.026
Base-Backbone interact. energy: -0.381
local terms energy: -132.601019
where:
bonds (distance) C4'-P energy: -23.524
bonds (distance) P-C4' energy: -25.337
flat angles C4'-P-C4' energy: -29.069
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -38.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -500.445901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.445901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.445901 (E_RNA)
where:
Base-Base interactions energy: -363.099
where: short stacking energy: -138.109
Base-Backbone interact. energy: -0.541
local terms energy: -136.805690
where:
bonds (distance) C4'-P energy: -19.368
bonds (distance) P-C4' energy: -23.332
flat angles C4'-P-C4' energy: -28.551
flat angles P-C4'-P energy: -20.422
tors. eta vs tors. theta energy: -45.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -571.093508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.093508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.093508 (E_RNA)
where:
Base-Base interactions energy: -415.461
where: short stacking energy: -159.964
Base-Backbone interact. energy: -0.169
local terms energy: -155.463599
where:
bonds (distance) C4'-P energy: -27.299
bonds (distance) P-C4' energy: -28.562
flat angles C4'-P-C4' energy: -31.377
flat angles P-C4'-P energy: -20.551
tors. eta vs tors. theta energy: -47.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -551.608822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.608822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.608822 (E_RNA)
where:
Base-Base interactions energy: -400.683
where: short stacking energy: -157.115
Base-Backbone interact. energy: -0.007
local terms energy: -150.918828
where:
bonds (distance) C4'-P energy: -24.702
bonds (distance) P-C4' energy: -24.466
flat angles C4'-P-C4' energy: -32.523
flat angles P-C4'-P energy: -20.888
tors. eta vs tors. theta energy: -48.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -546.843029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.843029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.843029 (E_RNA)
where:
Base-Base interactions energy: -391.107
where: short stacking energy: -154.512
Base-Backbone interact. energy: -1.367
local terms energy: -154.368292
where:
bonds (distance) C4'-P energy: -26.720
bonds (distance) P-C4' energy: -29.577
flat angles C4'-P-C4' energy: -31.714
flat angles P-C4'-P energy: -19.590
tors. eta vs tors. theta energy: -46.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -546.397053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.397053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.397053 (E_RNA)
where:
Base-Base interactions energy: -389.520
where: short stacking energy: -155.693
Base-Backbone interact. energy: -0.940
local terms energy: -155.936715
where:
bonds (distance) C4'-P energy: -23.853
bonds (distance) P-C4' energy: -28.959
flat angles C4'-P-C4' energy: -32.595
flat angles P-C4'-P energy: -22.803
tors. eta vs tors. theta energy: -47.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -530.480708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.480708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.480708 (E_RNA)
where:
Base-Base interactions energy: -374.457
where: short stacking energy: -145.427
Base-Backbone interact. energy: -1.210
local terms energy: -154.814455
where:
bonds (distance) C4'-P energy: -27.972
bonds (distance) P-C4' energy: -31.474
flat angles C4'-P-C4' energy: -31.280
flat angles P-C4'-P energy: -21.397
tors. eta vs tors. theta energy: -42.692
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: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -529.059452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.059452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.059452 (E_RNA)
where:
Base-Base interactions energy: -391.971
where: short stacking energy: -151.211
Base-Backbone interact. energy: -0.407
local terms energy: -136.682046
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -23.909
flat angles C4'-P-C4' energy: -27.346
flat angles P-C4'-P energy: -22.138
tors. eta vs tors. theta energy: -47.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -510.094074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.094074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.094074 (E_RNA)
where:
Base-Base interactions energy: -368.588
where: short stacking energy: -144.035
Base-Backbone interact. energy: -0.056
local terms energy: -141.449861
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -27.297
flat angles C4'-P-C4' energy: -29.298
flat angles P-C4'-P energy: -18.316
tors. eta vs tors. theta energy: -44.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -506.045460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.045460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.045460 (E_RNA)
where:
Base-Base interactions energy: -370.048
where: short stacking energy: -136.927
Base-Backbone interact. energy: -1.095
local terms energy: -134.902278
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -23.972
flat angles C4'-P-C4' energy: -26.204
flat angles P-C4'-P energy: -20.758
tors. eta vs tors. theta energy: -41.451
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: 4
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -507.472952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.472952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.472952 (E_RNA)
where:
Base-Base interactions energy: -366.380
where: short stacking energy: -143.657
Base-Backbone interact. energy: -0.441
local terms energy: -140.651889
where:
bonds (distance) C4'-P energy: -22.156
bonds (distance) P-C4' energy: -23.823
flat angles C4'-P-C4' energy: -29.256
flat angles P-C4'-P energy: -20.782
tors. eta vs tors. theta energy: -44.634
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: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -499.249131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.249131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.249131 (E_RNA)
where:
Base-Base interactions energy: -369.362
where: short stacking energy: -138.962
Base-Backbone interact. energy: -0.051
local terms energy: -129.836265
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -31.433
flat angles P-C4'-P energy: -19.903
tors. eta vs tors. theta energy: -42.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -562.724414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.724414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.724414 (E_RNA)
where:
Base-Base interactions energy: -404.167
where: short stacking energy: -158.965
Base-Backbone interact. energy: -0.000
local terms energy: -158.557115
where:
bonds (distance) C4'-P energy: -27.922
bonds (distance) P-C4' energy: -26.726
flat angles C4'-P-C4' energy: -30.343
flat angles P-C4'-P energy: -26.278
tors. eta vs tors. theta energy: -47.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -555.146324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.146324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.146324 (E_RNA)
where:
Base-Base interactions energy: -399.906
where: short stacking energy: -162.417
Base-Backbone interact. energy: -0.001
local terms energy: -155.239697
where:
bonds (distance) C4'-P energy: -29.131
bonds (distance) P-C4' energy: -26.795
flat angles C4'-P-C4' energy: -31.610
flat angles P-C4'-P energy: -20.555
tors. eta vs tors. theta energy: -47.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -549.671864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.671864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.671864 (E_RNA)
where:
Base-Base interactions energy: -399.532
where: short stacking energy: -155.442
Base-Backbone interact. energy: -0.152
local terms energy: -149.987977
where:
bonds (distance) C4'-P energy: -23.659
bonds (distance) P-C4' energy: -29.255
flat angles C4'-P-C4' energy: -30.122
flat angles P-C4'-P energy: -18.724
tors. eta vs tors. theta energy: -48.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -549.792450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.792450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.792450 (E_RNA)
where:
Base-Base interactions energy: -398.761
where: short stacking energy: -154.442
Base-Backbone interact. energy: -0.585
local terms energy: -150.446423
where:
bonds (distance) C4'-P energy: -22.872
bonds (distance) P-C4' energy: -28.548
flat angles C4'-P-C4' energy: -28.831
flat angles P-C4'-P energy: -23.407
tors. eta vs tors. theta energy: -46.789
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: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -522.586254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.586254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.586254 (E_RNA)
where:
Base-Base interactions energy: -379.793
where: short stacking energy: -151.162
Base-Backbone interact. energy: -0.003
local terms energy: -142.790195
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -27.021
flat angles C4'-P-C4' energy: -29.332
flat angles P-C4'-P energy: -18.902
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: 6, replica: 5
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -542.434041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.434041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.434041 (E_RNA)
where:
Base-Base interactions energy: -397.319
where: short stacking energy: -154.473
Base-Backbone interact. energy: -0.009
local terms energy: -145.105260
where:
bonds (distance) C4'-P energy: -26.059
bonds (distance) P-C4' energy: -24.924
flat angles C4'-P-C4' energy: -29.206
flat angles P-C4'-P energy: -18.745
tors. eta vs tors. theta energy: -46.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -520.298920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.298920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.298920 (E_RNA)
where:
Base-Base interactions energy: -377.840
where: short stacking energy: -149.982
Base-Backbone interact. energy: -0.594
local terms energy: -141.864634
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -24.272
flat angles C4'-P-C4' energy: -32.153
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -44.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -508.061692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.061692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.061692 (E_RNA)
where:
Base-Base interactions energy: -372.998
where: short stacking energy: -137.803
Base-Backbone interact. energy: -0.031
local terms energy: -135.032500
where:
bonds (distance) C4'-P energy: -22.403
bonds (distance) P-C4' energy: -21.671
flat angles C4'-P-C4' energy: -25.381
flat angles P-C4'-P energy: -21.603
tors. eta vs tors. theta energy: -43.974
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: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -505.364923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.364923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.364923 (E_RNA)
where:
Base-Base interactions energy: -368.407
where: short stacking energy: -142.735
Base-Backbone interact. energy: -0.577
local terms energy: -136.381333
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -21.849
flat angles C4'-P-C4' energy: -30.012
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: -42.437
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: 4
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -491.759513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.759513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.759513 (E_RNA)
where:
Base-Base interactions energy: -358.800
where: short stacking energy: -137.776
Base-Backbone interact. energy: -0.096
local terms energy: -132.863089
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -28.546
flat angles C4'-P-C4' energy: -26.635
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -42.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -570.642149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.642149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.642149 (E_RNA)
where:
Base-Base interactions energy: -410.575
where: short stacking energy: -161.012
Base-Backbone interact. energy: -0.857
local terms energy: -159.210562
where:
bonds (distance) C4'-P energy: -27.305
bonds (distance) P-C4' energy: -30.023
flat angles C4'-P-C4' energy: -29.979
flat angles P-C4'-P energy: -23.678
tors. eta vs tors. theta energy: -48.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -561.557679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.557679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.557679 (E_RNA)
where:
Base-Base interactions energy: -405.300
where: short stacking energy: -152.310
Base-Backbone interact. energy: -0.500
local terms energy: -155.757374
where:
bonds (distance) C4'-P energy: -27.371
bonds (distance) P-C4' energy: -29.037
flat angles C4'-P-C4' energy: -28.752
flat angles P-C4'-P energy: -22.689
tors. eta vs tors. theta energy: -47.908
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: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -553.678758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.678758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.678758 (E_RNA)
where:
Base-Base interactions energy: -403.097
where: short stacking energy: -160.907
Base-Backbone interact. energy: -0.001
local terms energy: -150.580476
where:
bonds (distance) C4'-P energy: -22.283
bonds (distance) P-C4' energy: -28.006
flat angles C4'-P-C4' energy: -27.759
flat angles P-C4'-P energy: -25.356
tors. eta vs tors. theta energy: -47.176
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: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -547.544905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.544905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.544905 (E_RNA)
where:
Base-Base interactions energy: -387.747
where: short stacking energy: -155.895
Base-Backbone interact. energy: -0.896
local terms energy: -158.901791
where:
bonds (distance) C4'-P energy: -23.639
bonds (distance) P-C4' energy: -30.321
flat angles C4'-P-C4' energy: -33.812
flat angles P-C4'-P energy: -23.660
tors. eta vs tors. theta energy: -47.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -535.406650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.406650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.406650 (E_RNA)
where:
Base-Base interactions energy: -393.159
where: short stacking energy: -150.681
Base-Backbone interact. energy: -1.133
local terms energy: -141.114111
where:
bonds (distance) C4'-P energy: -24.034
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -30.261
flat angles P-C4'-P energy: -20.942
tors. eta vs tors. theta energy: -44.520
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: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -513.843481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.843481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.843481 (E_RNA)
where:
Base-Base interactions energy: -372.945
where: short stacking energy: -145.854
Base-Backbone interact. energy: -0.428
local terms energy: -140.470596
where:
bonds (distance) C4'-P energy: -27.653
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -27.849
flat angles P-C4'-P energy: -17.494
tors. eta vs tors. theta energy: -43.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -516.534827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.534827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.534827 (E_RNA)
where:
Base-Base interactions energy: -372.965
where: short stacking energy: -142.709
Base-Backbone interact. energy: -1.107
local terms energy: -142.463286
where:
bonds (distance) C4'-P energy: -25.244
bonds (distance) P-C4' energy: -29.360
flat angles C4'-P-C4' energy: -26.218
flat angles P-C4'-P energy: -19.682
tors. eta vs tors. theta energy: -41.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -518.179324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.179324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.179324 (E_RNA)
where:
Base-Base interactions energy: -390.492
where: short stacking energy: -152.795
Base-Backbone interact. energy: -0.053
local terms energy: -127.634047
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -32.979
flat angles C4'-P-C4' energy: -25.268
flat angles P-C4'-P energy: -9.978
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: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -501.665325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.665325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.665325 (E_RNA)
where:
Base-Base interactions energy: -368.488
where: short stacking energy: -141.932
Base-Backbone interact. energy: -0.287
local terms energy: -132.890506
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -29.296
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -44.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -482.981046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.981046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.981046 (E_RNA)
where:
Base-Base interactions energy: -354.677
where: short stacking energy: -137.047
Base-Backbone interact. energy: -0.307
local terms energy: -127.997023
where:
bonds (distance) C4'-P energy: -27.417
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -25.570
flat angles P-C4'-P energy: -20.066
tors. eta vs tors. theta energy: -37.052
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: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -553.892662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.892662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.892662 (E_RNA)
where:
Base-Base interactions energy: -403.165
where: short stacking energy: -158.911
Base-Backbone interact. energy: -0.002
local terms energy: -150.726265
where:
bonds (distance) C4'-P energy: -26.734
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -31.280
flat angles P-C4'-P energy: -23.852
tors. eta vs tors. theta energy: -46.080
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: 9
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -553.103178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.103178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.103178 (E_RNA)
where:
Base-Base interactions energy: -403.052
where: short stacking energy: -155.964
Base-Backbone interact. energy: -1.421
local terms energy: -148.630698
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -26.112
flat angles C4'-P-C4' energy: -27.740
flat angles P-C4'-P energy: -23.000
tors. eta vs tors. theta energy: -48.133
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: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -555.096492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.096492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.096492 (E_RNA)
where:
Base-Base interactions energy: -402.459
where: short stacking energy: -159.953
Base-Backbone interact. energy: -0.663
local terms energy: -151.974235
where:
bonds (distance) C4'-P energy: -30.242
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -32.238
flat angles P-C4'-P energy: -21.055
tors. eta vs tors. theta energy: -45.666
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: 1
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -539.392644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.392644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.392644 (E_RNA)
where:
Base-Base interactions energy: -392.659
where: short stacking energy: -151.706
Base-Backbone interact. energy: -1.972
local terms energy: -144.761404
where:
bonds (distance) C4'-P energy: -26.345
bonds (distance) P-C4' energy: -23.554
flat angles C4'-P-C4' energy: -27.993
flat angles P-C4'-P energy: -21.263
tors. eta vs tors. theta energy: -45.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -525.346219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.346219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.346219 (E_RNA)
where:
Base-Base interactions energy: -387.131
where: short stacking energy: -149.656
Base-Backbone interact. energy: -1.077
local terms energy: -137.138590
where:
bonds (distance) C4'-P energy: -22.713
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -31.326
flat angles P-C4'-P energy: -21.491
tors. eta vs tors. theta energy: -45.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -526.743367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.743367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.743367 (E_RNA)
where:
Base-Base interactions energy: -382.147
where: short stacking energy: -152.424
Base-Backbone interact. energy: -0.004
local terms energy: -144.592683
where:
bonds (distance) C4'-P energy: -22.465
bonds (distance) P-C4' energy: -28.776
flat angles C4'-P-C4' energy: -28.561
flat angles P-C4'-P energy: -22.832
tors. eta vs tors. theta energy: -41.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -517.539912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.539912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.539912 (E_RNA)
where:
Base-Base interactions energy: -378.138
where: short stacking energy: -144.023
Base-Backbone interact. energy: -0.290
local terms energy: -139.111732
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -26.863
flat angles C4'-P-C4' energy: -29.427
flat angles P-C4'-P energy: -18.397
tors. eta vs tors. theta energy: -43.825
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: 8, replica: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -508.784606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.784606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.784606 (E_RNA)
where:
Base-Base interactions energy: -364.517
where: short stacking energy: -138.280
Base-Backbone interact. energy: -0.665
local terms energy: -143.602243
where:
bonds (distance) C4'-P energy: -24.610
bonds (distance) P-C4' energy: -25.123
flat angles C4'-P-C4' energy: -29.712
flat angles P-C4'-P energy: -21.536
tors. eta vs tors. theta energy: -42.622
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: 4
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -520.097107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.097107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.097107 (E_RNA)
where:
Base-Base interactions energy: -373.352
where: short stacking energy: -147.489
Base-Backbone interact. energy: -0.500
local terms energy: -146.244696
where:
bonds (distance) C4'-P energy: -25.311
bonds (distance) P-C4' energy: -25.709
flat angles C4'-P-C4' energy: -27.074
flat angles P-C4'-P energy: -19.154
tors. eta vs tors. theta energy: -48.996
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: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -504.892251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.892251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.892251 (E_RNA)
where:
Base-Base interactions energy: -372.499
where: short stacking energy: -141.412
Base-Backbone interact. energy: -0.007
local terms energy: -132.386361
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -30.721
flat angles P-C4'-P energy: -21.553
tors. eta vs tors. theta energy: -43.061
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: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -556.750837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.750837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.750837 (E_RNA)
where:
Base-Base interactions energy: -397.260
where: short stacking energy: -153.451
Base-Backbone interact. energy: -0.961
local terms energy: -158.529892
where:
bonds (distance) C4'-P energy: -26.288
bonds (distance) P-C4' energy: -29.621
flat angles C4'-P-C4' energy: -31.855
flat angles P-C4'-P energy: -25.978
tors. eta vs tors. theta energy: -44.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -559.923274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.923274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.923274 (E_RNA)
where:
Base-Base interactions energy: -407.776
where: short stacking energy: -161.002
Base-Backbone interact. energy: -0.604
local terms energy: -151.543242
where:
bonds (distance) C4'-P energy: -29.344
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -33.634
flat angles P-C4'-P energy: -21.926
tors. eta vs tors. theta energy: -48.216
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: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -546.505623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.505623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.505623 (E_RNA)
where:
Base-Base interactions energy: -394.173
where: short stacking energy: -158.478
Base-Backbone interact. energy: -0.055
local terms energy: -152.278384
where:
bonds (distance) C4'-P energy: -28.250
bonds (distance) P-C4' energy: -26.726
flat angles C4'-P-C4' energy: -27.789
flat angles P-C4'-P energy: -21.371
tors. eta vs tors. theta energy: -48.142
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: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -537.876290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.876290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.876290 (E_RNA)
where:
Base-Base interactions energy: -398.655
where: short stacking energy: -160.413
Base-Backbone interact. energy: -0.013
local terms energy: -139.207963
where:
bonds (distance) C4'-P energy: -23.822
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -28.841
flat angles P-C4'-P energy: -17.991
tors. eta vs tors. theta energy: -46.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -539.119264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.119264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.119264 (E_RNA)
where:
Base-Base interactions energy: -395.562
where: short stacking energy: -155.272
Base-Backbone interact. energy: -0.005
local terms energy: -143.552501
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -27.055
flat angles C4'-P-C4' energy: -29.626
flat angles P-C4'-P energy: -21.678
tors. eta vs tors. theta energy: -43.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -525.247929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.247929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.247929 (E_RNA)
where:
Base-Base interactions energy: -385.166
where: short stacking energy: -150.287
Base-Backbone interact. energy: -1.838
local terms energy: -138.244186
where:
bonds (distance) C4'-P energy: -24.869
bonds (distance) P-C4' energy: -21.477
flat angles C4'-P-C4' energy: -26.389
flat angles P-C4'-P energy: -20.991
tors. eta vs tors. theta energy: -44.519
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: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -528.110272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.110272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.110272 (E_RNA)
where:
Base-Base interactions energy: -383.808
where: short stacking energy: -150.275
Base-Backbone interact. energy: -0.280
local terms energy: -144.022093
where:
bonds (distance) C4'-P energy: -22.605
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -31.368
flat angles P-C4'-P energy: -21.797
tors. eta vs tors. theta energy: -47.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -505.023019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.023019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.023019 (E_RNA)
where:
Base-Base interactions energy: -361.960
where: short stacking energy: -139.661
Base-Backbone interact. energy: -0.875
local terms energy: -142.187955
where:
bonds (distance) C4'-P energy: -28.100
bonds (distance) P-C4' energy: -28.710
flat angles C4'-P-C4' energy: -24.089
flat angles P-C4'-P energy: -19.189
tors. eta vs tors. theta energy: -42.100
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: 4
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -513.575305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.575305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.575305 (E_RNA)
where:
Base-Base interactions energy: -373.326
where: short stacking energy: -145.549
Base-Backbone interact. energy: -0.004
local terms energy: -140.245232
where:
bonds (distance) C4'-P energy: -29.470
bonds (distance) P-C4' energy: -23.521
flat angles C4'-P-C4' energy: -21.863
flat angles P-C4'-P energy: -18.651
tors. eta vs tors. theta energy: -46.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -491.312023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.312023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.312023 (E_RNA)
where:
Base-Base interactions energy: -360.106
where: short stacking energy: -132.940
Base-Backbone interact. energy: -0.334
local terms energy: -130.872014
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -26.091
flat angles C4'-P-C4' energy: -27.151
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -41.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -557.060594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.060594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.060594 (E_RNA)
where:
Base-Base interactions energy: -397.344
where: short stacking energy: -154.424
Base-Backbone interact. energy: -0.360
local terms energy: -159.357054
where:
bonds (distance) C4'-P energy: -27.255
bonds (distance) P-C4' energy: -30.269
flat angles C4'-P-C4' energy: -30.911
flat angles P-C4'-P energy: -22.962
tors. eta vs tors. theta energy: -47.960
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: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -559.532336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.532336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.532336 (E_RNA)
where:
Base-Base interactions energy: -403.656
where: short stacking energy: -159.736
Base-Backbone interact. energy: 0.066
local terms energy: -155.941682
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -26.529
flat angles C4'-P-C4' energy: -31.023
flat angles P-C4'-P energy: -26.852
tors. eta vs tors. theta energy: -48.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -561.262955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.262955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.262955 (E_RNA)
where:
Base-Base interactions energy: -410.441
where: short stacking energy: -159.332
Base-Backbone interact. energy: -1.042
local terms energy: -149.779970
where:
bonds (distance) C4'-P energy: -24.625
bonds (distance) P-C4' energy: -27.562
flat angles C4'-P-C4' energy: -28.975
flat angles P-C4'-P energy: -22.469
tors. eta vs tors. theta energy: -46.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -541.154521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.154521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.154521 (E_RNA)
where:
Base-Base interactions energy: -393.112
where: short stacking energy: -153.664
Base-Backbone interact. energy: -0.013
local terms energy: -148.029074
where:
bonds (distance) C4'-P energy: -27.678
bonds (distance) P-C4' energy: -24.714
flat angles C4'-P-C4' energy: -33.252
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: -42.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -537.810852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.810852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.810852 (E_RNA)
where:
Base-Base interactions energy: -387.714
where: short stacking energy: -147.913
Base-Backbone interact. energy: -0.366
local terms energy: -149.731071
where:
bonds (distance) C4'-P energy: -25.078
bonds (distance) P-C4' energy: -29.635
flat angles C4'-P-C4' energy: -28.874
flat angles P-C4'-P energy: -21.618
tors. eta vs tors. theta energy: -44.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -521.977743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.977743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.977743 (E_RNA)
where:
Base-Base interactions energy: -376.699
where: short stacking energy: -143.274
Base-Backbone interact. energy: -0.883
local terms energy: -144.396116
where:
bonds (distance) C4'-P energy: -24.742
bonds (distance) P-C4' energy: -21.759
flat angles C4'-P-C4' energy: -30.502
flat angles P-C4'-P energy: -22.007
tors. eta vs tors. theta energy: -45.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -525.780965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.780965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.780965 (E_RNA)
where:
Base-Base interactions energy: -377.183
where: short stacking energy: -139.673
Base-Backbone interact. energy: -1.678
local terms energy: -146.919948
where:
bonds (distance) C4'-P energy: -25.318
bonds (distance) P-C4' energy: -26.355
flat angles C4'-P-C4' energy: -31.521
flat angles P-C4'-P energy: -21.331
tors. eta vs tors. theta energy: -42.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -514.708187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.708187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.708187 (E_RNA)
where:
Base-Base interactions energy: -376.107
where: short stacking energy: -142.713
Base-Backbone interact. energy: -0.293
local terms energy: -138.307546
where:
bonds (distance) C4'-P energy: -30.278
bonds (distance) P-C4' energy: -22.973
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -19.867
tors. eta vs tors. theta energy: -41.641
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: 9, replica: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -501.980101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.980101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.980101 (E_RNA)
where:
Base-Base interactions energy: -364.737
where: short stacking energy: -137.561
Base-Backbone interact. energy: -0.928
local terms energy: -136.315756
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -29.232
flat angles P-C4'-P energy: -20.802
tors. eta vs tors. theta energy: -45.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -499.319093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.319093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.319093 (E_RNA)
where:
Base-Base interactions energy: -366.554
where: short stacking energy: -143.591
Base-Backbone interact. energy: -0.240
local terms energy: -132.525769
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -25.961
flat angles C4'-P-C4' energy: -25.319
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -46.032
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: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -562.230747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.230747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.230747 (E_RNA)
where:
Base-Base interactions energy: -404.908
where: short stacking energy: -162.208
Base-Backbone interact. energy: -0.765
local terms energy: -156.557311
where:
bonds (distance) C4'-P energy: -27.348
bonds (distance) P-C4' energy: -23.063
flat angles C4'-P-C4' energy: -31.693
flat angles P-C4'-P energy: -26.550
tors. eta vs tors. theta energy: -47.903
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: 221
Temperature: 0.950000
Total energy: -556.100575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.100575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.100575 (E_RNA)
where:
Base-Base interactions energy: -400.863
where: short stacking energy: -152.841
Base-Backbone interact. energy: -1.644
local terms energy: -153.593567
where:
bonds (distance) C4'-P energy: -26.927
bonds (distance) P-C4' energy: -24.878
flat angles C4'-P-C4' energy: -30.294
flat angles P-C4'-P energy: -25.033
tors. eta vs tors. theta energy: -46.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -545.568518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.568518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.568518 (E_RNA)
where:
Base-Base interactions energy: -384.954
where: short stacking energy: -147.319
Base-Backbone interact. energy: -0.753
local terms energy: -159.861667
where:
bonds (distance) C4'-P energy: -29.194
bonds (distance) P-C4' energy: -32.697
flat angles C4'-P-C4' energy: -31.364
flat angles P-C4'-P energy: -21.241
tors. eta vs tors. theta energy: -45.366
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: 6
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -545.868605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.868605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.868605 (E_RNA)
where:
Base-Base interactions energy: -397.507
where: short stacking energy: -155.199
Base-Backbone interact. energy: -0.407
local terms energy: -147.954623
where:
bonds (distance) C4'-P energy: -20.480
bonds (distance) P-C4' energy: -26.316
flat angles C4'-P-C4' energy: -31.683
flat angles P-C4'-P energy: -23.176
tors. eta vs tors. theta energy: -46.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -531.352888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.352888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.352888 (E_RNA)
where:
Base-Base interactions energy: -377.698
where: short stacking energy: -149.668
Base-Backbone interact. energy: -0.751
local terms energy: -152.904293
where:
bonds (distance) C4'-P energy: -26.133
bonds (distance) P-C4' energy: -26.326
flat angles C4'-P-C4' energy: -31.731
flat angles P-C4'-P energy: -21.898
tors. eta vs tors. theta energy: -46.816
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: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -521.561979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.561979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.561979 (E_RNA)
where:
Base-Base interactions energy: -374.233
where: short stacking energy: -146.395
Base-Backbone interact. energy: -0.283
local terms energy: -147.045276
where:
bonds (distance) C4'-P energy: -27.990
bonds (distance) P-C4' energy: -25.240
flat angles C4'-P-C4' energy: -29.430
flat angles P-C4'-P energy: -17.853
tors. eta vs tors. theta energy: -46.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -516.916449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.916449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.916449 (E_RNA)
where:
Base-Base interactions energy: -370.490
where: short stacking energy: -143.854
Base-Backbone interact. energy: -0.015
local terms energy: -146.411117
where:
bonds (distance) C4'-P energy: -23.090
bonds (distance) P-C4' energy: -27.659
flat angles C4'-P-C4' energy: -30.188
flat angles P-C4'-P energy: -22.203
tors. eta vs tors. theta energy: -43.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -512.201789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.201789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.201789 (E_RNA)
where:
Base-Base interactions energy: -375.395
where: short stacking energy: -147.596
Base-Backbone interact. energy: -1.043
local terms energy: -135.763483
where:
bonds (distance) C4'-P energy: -24.470
bonds (distance) P-C4' energy: -25.073
flat angles C4'-P-C4' energy: -26.032
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -45.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -508.594661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.594661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.594661 (E_RNA)
where:
Base-Base interactions energy: -377.783
where: short stacking energy: -144.163
Base-Backbone interact. energy: -1.419
local terms energy: -129.392665
where:
bonds (distance) C4'-P energy: -23.323
bonds (distance) P-C4' energy: -23.259
flat angles C4'-P-C4' energy: -25.107
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -43.448
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: 4
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -489.543975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.543975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.543975 (E_RNA)
where:
Base-Base interactions energy: -356.023
where: short stacking energy: -132.680
Base-Backbone interact. energy: -1.752
local terms energy: -131.769335
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -31.842
flat angles P-C4'-P energy: -19.420
tors. eta vs tors. theta energy: -38.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -561.406289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.406289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.406289 (E_RNA)
where:
Base-Base interactions energy: -407.257
where: short stacking energy: -162.569
Base-Backbone interact. energy: -0.001
local terms energy: -154.148517
where:
bonds (distance) C4'-P energy: -26.168
bonds (distance) P-C4' energy: -25.158
flat angles C4'-P-C4' energy: -34.615
flat angles P-C4'-P energy: -18.968
tors. eta vs tors. theta energy: -49.238
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: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -561.701190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.701190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.701190 (E_RNA)
where:
Base-Base interactions energy: -406.028
where: short stacking energy: -157.568
Base-Backbone interact. energy: -2.143
local terms energy: -153.529999
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -27.065
flat angles C4'-P-C4' energy: -30.117
flat angles P-C4'-P energy: -24.515
tors. eta vs tors. theta energy: -46.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -542.079928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.079928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.079928 (E_RNA)
where:
Base-Base interactions energy: -400.852
where: short stacking energy: -154.730
Base-Backbone interact. energy: -0.028
local terms energy: -141.199454
where:
bonds (distance) C4'-P energy: -23.465
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -28.493
flat angles P-C4'-P energy: -22.466
tors. eta vs tors. theta energy: -44.570
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: 7
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -543.532323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.532323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.532323 (E_RNA)
where:
Base-Base interactions energy: -393.695
where: short stacking energy: -156.269
Base-Backbone interact. energy: -1.531
local terms energy: -148.306358
where:
bonds (distance) C4'-P energy: -25.676
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -28.571
flat angles P-C4'-P energy: -21.386
tors. eta vs tors. theta energy: -48.942
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: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -527.669748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.669748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.669748 (E_RNA)
where:
Base-Base interactions energy: -385.805
where: short stacking energy: -148.826
Base-Backbone interact. energy: -0.178
local terms energy: -141.686848
where:
bonds (distance) C4'-P energy: -28.610
bonds (distance) P-C4' energy: -24.895
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -46.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -529.617650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.617650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.617650 (E_RNA)
where:
Base-Base interactions energy: -387.971
where: short stacking energy: -142.022
Base-Backbone interact. energy: -0.122
local terms energy: -141.525018
where:
bonds (distance) C4'-P energy: -23.952
bonds (distance) P-C4' energy: -24.934
flat angles C4'-P-C4' energy: -28.845
flat angles P-C4'-P energy: -18.843
tors. eta vs tors. theta energy: -44.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -523.344184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.344184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.344184 (E_RNA)
where:
Base-Base interactions energy: -384.143
where: short stacking energy: -147.640
Base-Backbone interact. energy: -0.484
local terms energy: -138.716972
where:
bonds (distance) C4'-P energy: -20.549
bonds (distance) P-C4' energy: -26.025
flat angles C4'-P-C4' energy: -22.890
flat angles P-C4'-P energy: -24.106
tors. eta vs tors. theta energy: -45.148
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: 222
Temperature: 1.250000
Total energy: -515.003917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.003917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.003917 (E_RNA)
where:
Base-Base interactions energy: -379.482
where: short stacking energy: -145.639
Base-Backbone interact. energy: -0.478
local terms energy: -135.044189
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -24.933
flat angles C4'-P-C4' energy: -31.916
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: -40.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -511.632216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.632216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.632216 (E_RNA)
where:
Base-Base interactions energy: -365.085
where: short stacking energy: -134.435
Base-Backbone interact. energy: -2.018
local terms energy: -144.529014
where:
bonds (distance) C4'-P energy: -25.915
bonds (distance) P-C4' energy: -22.986
flat angles C4'-P-C4' energy: -28.978
flat angles P-C4'-P energy: -18.119
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: 10, replica: 4
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -474.894703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.894703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.894703 (E_RNA)
where:
Base-Base interactions energy: -347.049
where: short stacking energy: -133.737
Base-Backbone interact. energy: -0.338
local terms energy: -127.507992
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -24.087
flat angles C4'-P-C4' energy: -30.166
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -41.045
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: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -558.248125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.248125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.248125 (E_RNA)
where:
Base-Base interactions energy: -400.969
where: short stacking energy: -161.472
Base-Backbone interact. energy: -0.003
local terms energy: -157.276426
where:
bonds (distance) C4'-P energy: -27.021
bonds (distance) P-C4' energy: -28.907
flat angles C4'-P-C4' energy: -34.010
flat angles P-C4'-P energy: -22.968
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: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -554.387957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.387957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.387957 (E_RNA)
where:
Base-Base interactions energy: -401.078
where: short stacking energy: -150.931
Base-Backbone interact. energy: -0.217
local terms energy: -153.093050
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -30.801
flat angles P-C4'-P energy: -25.766
tors. eta vs tors. theta energy: -48.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -552.383819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.383819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.383819 (E_RNA)
where:
Base-Base interactions energy: -401.214
where: short stacking energy: -158.307
Base-Backbone interact. energy: -0.012
local terms energy: -151.158164
where:
bonds (distance) C4'-P energy: -29.180
bonds (distance) P-C4' energy: -25.681
flat angles C4'-P-C4' energy: -26.882
flat angles P-C4'-P energy: -20.461
tors. eta vs tors. theta energy: -48.954
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: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -533.838942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.838942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.838942 (E_RNA)
where:
Base-Base interactions energy: -395.002
where: short stacking energy: -153.902
Base-Backbone interact. energy: -0.291
local terms energy: -138.545742
where:
bonds (distance) C4'-P energy: -23.099
bonds (distance) P-C4' energy: -25.213
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -20.718
tors. eta vs tors. theta energy: -44.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -537.838139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.838139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.838139 (E_RNA)
where:
Base-Base interactions energy: -390.519
where: short stacking energy: -160.311
Base-Backbone interact. energy: -1.047
local terms energy: -146.271741
where:
bonds (distance) C4'-P energy: -26.588
bonds (distance) P-C4' energy: -25.096
flat angles C4'-P-C4' energy: -28.515
flat angles P-C4'-P energy: -19.978
tors. eta vs tors. theta energy: -46.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -524.985858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.985858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.985858 (E_RNA)
where:
Base-Base interactions energy: -381.403
where: short stacking energy: -151.970
Base-Backbone interact. energy: -0.336
local terms energy: -143.247093
where:
bonds (distance) C4'-P energy: -28.260
bonds (distance) P-C4' energy: -26.647
flat angles C4'-P-C4' energy: -29.012
flat angles P-C4'-P energy: -16.392
tors. eta vs tors. theta energy: -42.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -521.723813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.723813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.723813 (E_RNA)
where:
Base-Base interactions energy: -385.876
where: short stacking energy: -152.962
Base-Backbone interact. energy: -0.642
local terms energy: -135.205969
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -26.561
flat angles C4'-P-C4' energy: -29.022
flat angles P-C4'-P energy: -22.347
tors. eta vs tors. theta energy: -45.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -519.279636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.279636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.279636 (E_RNA)
where:
Base-Base interactions energy: -371.510
where: short stacking energy: -148.421
Base-Backbone interact. energy: -2.141
local terms energy: -145.627825
where:
bonds (distance) C4'-P energy: -26.694
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -31.124
flat angles P-C4'-P energy: -21.322
tors. eta vs tors. theta energy: -43.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -496.596160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.596160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.596160 (E_RNA)
where:
Base-Base interactions energy: -365.961
where: short stacking energy: -136.305
Base-Backbone interact. energy: -0.054
local terms energy: -130.581532
where:
bonds (distance) C4'-P energy: -22.358
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -26.964
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: -44.600
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: 4
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -497.503262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.503262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.503262 (E_RNA)
where:
Base-Base interactions energy: -372.461
where: short stacking energy: -139.817
Base-Backbone interact. energy: 0.775
local terms energy: -125.817375
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -24.836
flat angles P-C4'-P energy: -17.757
tors. eta vs tors. theta energy: -42.870
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: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -562.211514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.211514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.211514 (E_RNA)
where:
Base-Base interactions energy: -404.113
where: short stacking energy: -157.773
Base-Backbone interact. energy: -0.434
local terms energy: -157.663875
where:
bonds (distance) C4'-P energy: -32.463
bonds (distance) P-C4' energy: -25.417
flat angles C4'-P-C4' energy: -29.051
flat angles P-C4'-P energy: -24.160
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: 2, replica: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -558.606724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.606724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.606724 (E_RNA)
where:
Base-Base interactions energy: -406.106
where: short stacking energy: -160.374
Base-Backbone interact. energy: -0.436
local terms energy: -152.064650
where:
bonds (distance) C4'-P energy: -24.120
bonds (distance) P-C4' energy: -25.005
flat angles C4'-P-C4' energy: -30.108
flat angles P-C4'-P energy: -25.113
tors. eta vs tors. theta energy: -47.719
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: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -543.005407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.005407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.005407 (E_RNA)
where:
Base-Base interactions energy: -397.381
where: short stacking energy: -157.146
Base-Backbone interact. energy: -0.003
local terms energy: -145.621191
where:
bonds (distance) C4'-P energy: -21.604
bonds (distance) P-C4' energy: -25.464
flat angles C4'-P-C4' energy: -28.960
flat angles P-C4'-P energy: -22.468
tors. eta vs tors. theta energy: -47.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -551.921062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.921062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.921062 (E_RNA)
where:
Base-Base interactions energy: -392.903
where: short stacking energy: -156.721
Base-Backbone interact. energy: -1.764
local terms energy: -157.254095
where:
bonds (distance) C4'-P energy: -28.192
bonds (distance) P-C4' energy: -28.120
flat angles C4'-P-C4' energy: -30.796
flat angles P-C4'-P energy: -22.251
tors. eta vs tors. theta energy: -47.895
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: 9
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -529.391830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.391830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.391830 (E_RNA)
where:
Base-Base interactions energy: -382.318
where: short stacking energy: -152.103
Base-Backbone interact. energy: -0.002
local terms energy: -147.072619
where:
bonds (distance) C4'-P energy: -21.525
bonds (distance) P-C4' energy: -29.403
flat angles C4'-P-C4' energy: -29.695
flat angles P-C4'-P energy: -20.737
tors. eta vs tors. theta energy: -45.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -517.875161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.875161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.875161 (E_RNA)
where:
Base-Base interactions energy: -374.389
where: short stacking energy: -151.531
Base-Backbone interact. energy: -1.043
local terms energy: -142.442762
where:
bonds (distance) C4'-P energy: -22.734
bonds (distance) P-C4' energy: -24.193
flat angles C4'-P-C4' energy: -29.221
flat angles P-C4'-P energy: -21.345
tors. eta vs tors. theta energy: -44.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -522.972846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.972846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.972846 (E_RNA)
where:
Base-Base interactions energy: -375.515
where: short stacking energy: -144.225
Base-Backbone interact. energy: -1.196
local terms energy: -146.261573
where:
bonds (distance) C4'-P energy: -27.764
bonds (distance) P-C4' energy: -25.835
flat angles C4'-P-C4' energy: -29.027
flat angles P-C4'-P energy: -19.009
tors. eta vs tors. theta energy: -44.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -496.755259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.755259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.755259 (E_RNA)
where:
Base-Base interactions energy: -368.759
where: short stacking energy: -151.385
Base-Backbone interact. energy: -0.010
local terms energy: -127.986795
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -27.379
flat angles C4'-P-C4' energy: -26.127
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -42.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -506.169634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.169634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.169634 (E_RNA)
where:
Base-Base interactions energy: -373.137
where: short stacking energy: -146.312
Base-Backbone interact. energy: -0.477
local terms energy: -132.555353
where:
bonds (distance) C4'-P energy: -23.451
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -26.134
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -45.523
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: 224
Temperature: 1.350000
Total energy: -511.867517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.867517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.867517 (E_RNA)
where:
Base-Base interactions energy: -365.143
where: short stacking energy: -135.841
Base-Backbone interact. energy: -0.449
local terms energy: -146.274742
where:
bonds (distance) C4'-P energy: -26.411
bonds (distance) P-C4' energy: -25.286
flat angles C4'-P-C4' energy: -30.091
flat angles P-C4'-P energy: -17.613
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: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -562.804032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.804032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.804032 (E_RNA)
where:
Base-Base interactions energy: -412.778
where: short stacking energy: -163.741
Base-Backbone interact. energy: -0.004
local terms energy: -150.022324
where:
bonds (distance) C4'-P energy: -22.872
bonds (distance) P-C4' energy: -23.602
flat angles C4'-P-C4' energy: -30.714
flat angles P-C4'-P energy: -23.059
tors. eta vs tors. theta energy: -49.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -552.184818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.184818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.184818 (E_RNA)
where:
Base-Base interactions energy: -399.315
where: short stacking energy: -155.793
Base-Backbone interact. energy: -0.802
local terms energy: -152.067427
where:
bonds (distance) C4'-P energy: -25.474
bonds (distance) P-C4' energy: -26.846
flat angles C4'-P-C4' energy: -34.147
flat angles P-C4'-P energy: -19.918
tors. eta vs tors. theta energy: -45.683
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: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -542.866614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.866614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.866614 (E_RNA)
where:
Base-Base interactions energy: -397.637
where: short stacking energy: -154.796
Base-Backbone interact. energy: -0.735
local terms energy: -144.493957
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -32.583
flat angles P-C4'-P energy: -22.731
tors. eta vs tors. theta energy: -45.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -536.458710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.458710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.458710 (E_RNA)
where:
Base-Base interactions energy: -391.004
where: short stacking energy: -153.123
Base-Backbone interact. energy: -0.243
local terms energy: -145.211630
where:
bonds (distance) C4'-P energy: -26.993
bonds (distance) P-C4' energy: -31.007
flat angles C4'-P-C4' energy: -27.386
flat angles P-C4'-P energy: -16.516
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: 5, replica: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -537.558873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.558873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.558873 (E_RNA)
where:
Base-Base interactions energy: -381.302
where: short stacking energy: -152.905
Base-Backbone interact. energy: -0.087
local terms energy: -156.169791
where:
bonds (distance) C4'-P energy: -27.647
bonds (distance) P-C4' energy: -26.219
flat angles C4'-P-C4' energy: -32.117
flat angles P-C4'-P energy: -22.097
tors. eta vs tors. theta energy: -48.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -524.415026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.415026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.415026 (E_RNA)
where:
Base-Base interactions energy: -379.519
where: short stacking energy: -146.951
Base-Backbone interact. energy: -0.005
local terms energy: -144.890965
where:
bonds (distance) C4'-P energy: -24.560
bonds (distance) P-C4' energy: -26.167
flat angles C4'-P-C4' energy: -30.339
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -46.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -529.196453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.196453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.196453 (E_RNA)
where:
Base-Base interactions energy: -385.191
where: short stacking energy: -147.570
Base-Backbone interact. energy: -0.268
local terms energy: -143.737787
where:
bonds (distance) C4'-P energy: -25.538
bonds (distance) P-C4' energy: -21.592
flat angles C4'-P-C4' energy: -29.249
flat angles P-C4'-P energy: -23.902
tors. eta vs tors. theta energy: -43.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -517.735487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.735487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.735487 (E_RNA)
where:
Base-Base interactions energy: -381.654
where: short stacking energy: -144.891
Base-Backbone interact. energy: -0.056
local terms energy: -136.025055
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -27.748
flat angles C4'-P-C4' energy: -29.762
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: -43.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -504.186696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.186696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.186696 (E_RNA)
where:
Base-Base interactions energy: -376.046
where: short stacking energy: -140.645
Base-Backbone interact. energy: -0.129
local terms energy: -128.011678
where:
bonds (distance) C4'-P energy: -21.585
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -31.784
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -43.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -421.001542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.001542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.001542 (E_RNA)
where:
Base-Base interactions energy: -300.500
where: short stacking energy: -129.281
Base-Backbone interact. energy: -0.168
local terms energy: -120.333425
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -23.947
flat angles C4'-P-C4' energy: -25.354
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -34.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -566.500169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.500169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.500169 (E_RNA)
where:
Base-Base interactions energy: -406.721
where: short stacking energy: -164.398
Base-Backbone interact. energy: -1.612
local terms energy: -158.167386
where:
bonds (distance) C4'-P energy: -29.843
bonds (distance) P-C4' energy: -27.540
flat angles C4'-P-C4' energy: -28.772
flat angles P-C4'-P energy: -22.960
tors. eta vs tors. theta energy: -49.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -560.072389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.072389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.072389 (E_RNA)
where:
Base-Base interactions energy: -409.956
where: short stacking energy: -158.636
Base-Backbone interact. energy: -0.305
local terms energy: -149.811777
where:
bonds (distance) C4'-P energy: -23.951
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -29.991
flat angles P-C4'-P energy: -23.651
tors. eta vs tors. theta energy: -47.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -549.986921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.986921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.986921 (E_RNA)
where:
Base-Base interactions energy: -399.741
where: short stacking energy: -156.503
Base-Backbone interact. energy: -0.001
local terms energy: -150.244599
where:
bonds (distance) C4'-P energy: -23.956
bonds (distance) P-C4' energy: -30.401
flat angles C4'-P-C4' energy: -25.436
flat angles P-C4'-P energy: -24.847
tors. eta vs tors. theta energy: -45.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -527.581238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.581238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.581238 (E_RNA)
where:
Base-Base interactions energy: -391.402
where: short stacking energy: -151.062
Base-Backbone interact. energy: -0.516
local terms energy: -135.663161
where:
bonds (distance) C4'-P energy: -22.216
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -28.568
flat angles P-C4'-P energy: -19.524
tors. eta vs tors. theta energy: -44.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -534.109132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.109132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.109132 (E_RNA)
where:
Base-Base interactions energy: -389.005
where: short stacking energy: -153.880
Base-Backbone interact. energy: -0.693
local terms energy: -144.411106
where:
bonds (distance) C4'-P energy: -24.573
bonds (distance) P-C4' energy: -23.351
flat angles C4'-P-C4' energy: -31.174
flat angles P-C4'-P energy: -20.075
tors. eta vs tors. theta energy: -45.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -530.237609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.237609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.237609 (E_RNA)
where:
Base-Base interactions energy: -380.780
where: short stacking energy: -153.779
Base-Backbone interact. energy: -1.381
local terms energy: -148.076474
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -25.636
flat angles C4'-P-C4' energy: -32.402
flat angles P-C4'-P energy: -22.660
tors. eta vs tors. theta energy: -46.792
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: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -514.543850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.543850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.543850 (E_RNA)
where:
Base-Base interactions energy: -373.389
where: short stacking energy: -143.226
Base-Backbone interact. energy: -0.109
local terms energy: -141.046803
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -29.089
flat angles C4'-P-C4' energy: -27.300
flat angles P-C4'-P energy: -19.039
tors. eta vs tors. theta energy: -41.373
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: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -511.540440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.540440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.540440 (E_RNA)
where:
Base-Base interactions energy: -369.617
where: short stacking energy: -140.250
Base-Backbone interact. energy: -1.209
local terms energy: -140.714242
where:
bonds (distance) C4'-P energy: -26.345
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -27.455
flat angles P-C4'-P energy: -23.184
tors. eta vs tors. theta energy: -44.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -457.244669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.244669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.244669 (E_RNA)
where:
Base-Base interactions energy: -328.604
where: short stacking energy: -119.801
Base-Backbone interact. energy: -0.147
local terms energy: -128.494177
where:
bonds (distance) C4'-P energy: -24.559
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -26.484
flat angles P-C4'-P energy: -20.125
tors. eta vs tors. theta energy: -34.503
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: 10, replica: 1
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -484.259685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.259685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.259685 (E_RNA)
where:
Base-Base interactions energy: -366.029
where: short stacking energy: -134.667
Base-Backbone interact. energy: -1.524
local terms energy: -116.706175
where:
bonds (distance) C4'-P energy: -26.443
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: -36.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -562.433546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.433546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.433546 (E_RNA)
where:
Base-Base interactions energy: -407.612
where: short stacking energy: -156.623
Base-Backbone interact. energy: -0.299
local terms energy: -154.522623
where:
bonds (distance) C4'-P energy: -21.506
bonds (distance) P-C4' energy: -28.493
flat angles C4'-P-C4' energy: -33.668
flat angles P-C4'-P energy: -24.803
tors. eta vs tors. theta energy: -46.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -563.726860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.726860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.726860 (E_RNA)
where:
Base-Base interactions energy: -406.089
where: short stacking energy: -166.868
Base-Backbone interact. energy: -0.854
local terms energy: -156.783476
where:
bonds (distance) C4'-P energy: -28.614
bonds (distance) P-C4' energy: -28.090
flat angles C4'-P-C4' energy: -27.992
flat angles P-C4'-P energy: -23.712
tors. eta vs tors. theta energy: -48.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -551.278162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.278162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.278162 (E_RNA)
where:
Base-Base interactions energy: -403.032
where: short stacking energy: -156.799
Base-Backbone interact. energy: -0.956
local terms energy: -147.290459
where:
bonds (distance) C4'-P energy: -25.545
bonds (distance) P-C4' energy: -23.523
flat angles C4'-P-C4' energy: -30.805
flat angles P-C4'-P energy: -22.375
tors. eta vs tors. theta energy: -45.043
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: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -541.599688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.599688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.599688 (E_RNA)
where:
Base-Base interactions energy: -386.122
where: short stacking energy: -157.440
Base-Backbone interact. energy: -0.798
local terms energy: -154.679771
where:
bonds (distance) C4'-P energy: -27.734
bonds (distance) P-C4' energy: -26.203
flat angles C4'-P-C4' energy: -32.031
flat angles P-C4'-P energy: -20.415
tors. eta vs tors. theta energy: -48.296
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: 5, replica: 9
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -534.302044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.302044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.302044 (E_RNA)
where:
Base-Base interactions energy: -390.681
where: short stacking energy: -152.281
Base-Backbone interact. energy: -0.092
local terms energy: -143.529361
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -29.782
flat angles C4'-P-C4' energy: -31.245
flat angles P-C4'-P energy: -19.978
tors. eta vs tors. theta energy: -42.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -511.326693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.326693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.326693 (E_RNA)
where:
Base-Base interactions energy: -377.867
where: short stacking energy: -147.306
Base-Backbone interact. energy: -0.450
local terms energy: -133.009258
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -25.368
flat angles C4'-P-C4' energy: -27.272
flat angles P-C4'-P energy: -20.855
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: 7, replica: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -517.099086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.099086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.099086 (E_RNA)
where:
Base-Base interactions energy: -381.241
where: short stacking energy: -152.267
Base-Backbone interact. energy: 4.244
local terms energy: -140.102629
where:
bonds (distance) C4'-P energy: -24.657
bonds (distance) P-C4' energy: -26.490
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -20.853
tors. eta vs tors. theta energy: -46.182
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: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -518.280581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.280581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.280581 (E_RNA)
where:
Base-Base interactions energy: -377.649
where: short stacking energy: -148.920
Base-Backbone interact. energy: -1.236
local terms energy: -139.395837
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -29.131
flat angles P-C4'-P energy: -23.482
tors. eta vs tors. theta energy: -47.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -505.071868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.071868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.071868 (E_RNA)
where:
Base-Base interactions energy: -375.278
where: short stacking energy: -138.426
Base-Backbone interact. energy: -0.299
local terms energy: -129.495424
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -26.879
flat angles C4'-P-C4' energy: -27.577
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -40.331
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: 10, replica: 1
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -493.951164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.951164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.951164 (E_RNA)
where:
Base-Base interactions energy: -368.286
where: short stacking energy: -137.875
Base-Backbone interact. energy: -0.802
local terms energy: -124.862977
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -28.024
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -45.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -561.690749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.690749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.690749 (E_RNA)
where:
Base-Base interactions energy: -403.924
where: short stacking energy: -162.072
Base-Backbone interact. energy: -0.632
local terms energy: -157.134754
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -26.383
flat angles C4'-P-C4' energy: -34.065
flat angles P-C4'-P energy: -25.257
tors. eta vs tors. theta energy: -49.550
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: 5
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -553.294589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.294589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.294589 (E_RNA)
where:
Base-Base interactions energy: -391.748
where: short stacking energy: -153.019
Base-Backbone interact. energy: -1.669
local terms energy: -159.877514
where:
bonds (distance) C4'-P energy: -26.900
bonds (distance) P-C4' energy: -27.071
flat angles C4'-P-C4' energy: -32.090
flat angles P-C4'-P energy: -25.265
tors. eta vs tors. theta energy: -48.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -546.787503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.787503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.787503 (E_RNA)
where:
Base-Base interactions energy: -397.680
where: short stacking energy: -153.690
Base-Backbone interact. energy: -0.055
local terms energy: -149.052651
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -24.579
flat angles C4'-P-C4' energy: -29.573
flat angles P-C4'-P energy: -25.914
tors. eta vs tors. theta energy: -47.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -541.966340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.966340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.966340 (E_RNA)
where:
Base-Base interactions energy: -395.342
where: short stacking energy: -151.061
Base-Backbone interact. energy: -0.307
local terms energy: -146.316853
where:
bonds (distance) C4'-P energy: -26.042
bonds (distance) P-C4' energy: -23.635
flat angles C4'-P-C4' energy: -27.926
flat angles P-C4'-P energy: -22.031
tors. eta vs tors. theta energy: -46.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -532.399814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.399814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.399814 (E_RNA)
where:
Base-Base interactions energy: -390.572
where: short stacking energy: -151.716
Base-Backbone interact. energy: -0.049
local terms energy: -141.778379
where:
bonds (distance) C4'-P energy: -24.441
bonds (distance) P-C4' energy: -22.866
flat angles C4'-P-C4' energy: -29.420
flat angles P-C4'-P energy: -22.952
tors. eta vs tors. theta energy: -42.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -525.759575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.759575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.759575 (E_RNA)
where:
Base-Base interactions energy: -384.987
where: short stacking energy: -150.476
Base-Backbone interact. energy: -0.423
local terms energy: -140.349615
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -26.257
flat angles C4'-P-C4' energy: -32.636
flat angles P-C4'-P energy: -20.339
tors. eta vs tors. theta energy: -47.002
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: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -526.762791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.762791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.762791 (E_RNA)
where:
Base-Base interactions energy: -376.309
where: short stacking energy: -148.659
Base-Backbone interact. energy: -0.800
local terms energy: -149.654105
where:
bonds (distance) C4'-P energy: -30.075
bonds (distance) P-C4' energy: -26.243
flat angles C4'-P-C4' energy: -27.786
flat angles P-C4'-P energy: -20.296
tors. eta vs tors. theta energy: -45.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -513.000296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.000296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.000296 (E_RNA)
where:
Base-Base interactions energy: -382.501
where: short stacking energy: -150.513
Base-Backbone interact. energy: -0.473
local terms energy: -130.025649
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -22.986
flat angles C4'-P-C4' energy: -28.037
flat angles P-C4'-P energy: -17.031
tors. eta vs tors. theta energy: -45.053
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: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -509.863173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.863173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.863173 (E_RNA)
where:
Base-Base interactions energy: -374.389
where: short stacking energy: -140.537
Base-Backbone interact. energy: -0.017
local terms energy: -135.456824
where:
bonds (distance) C4'-P energy: -29.943
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -30.084
flat angles P-C4'-P energy: -15.864
tors. eta vs tors. theta energy: -42.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -499.274850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.274850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.274850 (E_RNA)
where:
Base-Base interactions energy: -365.333
where: short stacking energy: -143.736
Base-Backbone interact. energy: -0.001
local terms energy: -133.941124
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -19.687
flat angles C4'-P-C4' energy: -28.521
flat angles P-C4'-P energy: -17.875
tors. eta vs tors. theta energy: -44.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -559.580821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.580821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.580821 (E_RNA)
where:
Base-Base interactions energy: -400.009
where: short stacking energy: -155.306
Base-Backbone interact. energy: -0.761
local terms energy: -158.810429
where:
bonds (distance) C4'-P energy: -25.421
bonds (distance) P-C4' energy: -31.196
flat angles C4'-P-C4' energy: -32.879
flat angles P-C4'-P energy: -24.377
tors. eta vs tors. theta energy: -44.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -555.161572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.161572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.161572 (E_RNA)
where:
Base-Base interactions energy: -405.076
where: short stacking energy: -159.083
Base-Backbone interact. energy: -0.276
local terms energy: -149.809187
where:
bonds (distance) C4'-P energy: -25.416
bonds (distance) P-C4' energy: -22.528
flat angles C4'-P-C4' energy: -31.835
flat angles P-C4'-P energy: -22.770
tors. eta vs tors. theta energy: -47.260
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: 3, replica: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -542.024742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.024742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.024742 (E_RNA)
where:
Base-Base interactions energy: -389.052
where: short stacking energy: -147.638
Base-Backbone interact. energy: -0.002
local terms energy: -152.971311
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -30.361
flat angles C4'-P-C4' energy: -30.212
flat angles P-C4'-P energy: -23.403
tors. eta vs tors. theta energy: -48.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -537.649188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.649188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.649188 (E_RNA)
where:
Base-Base interactions energy: -395.133
where: short stacking energy: -154.446
Base-Backbone interact. energy: -0.045
local terms energy: -142.471827
where:
bonds (distance) C4'-P energy: -22.341
bonds (distance) P-C4' energy: -24.358
flat angles C4'-P-C4' energy: -30.946
flat angles P-C4'-P energy: -20.579
tors. eta vs tors. theta energy: -44.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -521.678258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.678258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.678258 (E_RNA)
where:
Base-Base interactions energy: -388.348
where: short stacking energy: -153.678
Base-Backbone interact. energy: -0.007
local terms energy: -133.322882
where:
bonds (distance) C4'-P energy: -23.869
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -23.617
flat angles P-C4'-P energy: -21.473
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: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -531.481247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.481247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.481247 (E_RNA)
where:
Base-Base interactions energy: -389.403
where: short stacking energy: -158.822
Base-Backbone interact. energy: -0.273
local terms energy: -141.805107
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -25.071
flat angles C4'-P-C4' energy: -28.334
flat angles P-C4'-P energy: -17.718
tors. eta vs tors. theta energy: -46.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -531.776499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.776499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.776499 (E_RNA)
where:
Base-Base interactions energy: -396.623
where: short stacking energy: -158.842
Base-Backbone interact. energy: -0.509
local terms energy: -134.645396
where:
bonds (distance) C4'-P energy: -23.696
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -25.667
flat angles P-C4'-P energy: -20.812
tors. eta vs tors. theta energy: -46.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -519.224512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.224512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.224512 (E_RNA)
where:
Base-Base interactions energy: -386.449
where: short stacking energy: -145.945
Base-Backbone interact. energy: -0.125
local terms energy: -132.650776
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -28.199
flat angles C4'-P-C4' energy: -27.421
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -43.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -497.374460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.374460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.374460 (E_RNA)
where:
Base-Base interactions energy: -367.782
where: short stacking energy: -136.025
Base-Backbone interact. energy: -0.043
local terms energy: -129.549905
where:
bonds (distance) C4'-P energy: -28.568
bonds (distance) P-C4' energy: -19.649
flat angles C4'-P-C4' energy: -22.828
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -43.915
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: 229
Temperature: 1.350000
Total energy: -494.035208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.035208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.035208 (E_RNA)
where:
Base-Base interactions energy: -370.406
where: short stacking energy: -145.385
Base-Backbone interact. energy: -0.002
local terms energy: -123.627166
where:
bonds (distance) C4'-P energy: -23.042
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -22.230
tors. eta vs tors. theta energy: -39.359
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: 10
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -560.670806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.670806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.670806 (E_RNA)
where:
Base-Base interactions energy: -402.541
where: short stacking energy: -162.124
Base-Backbone interact. energy: -1.032
local terms energy: -157.097349
where:
bonds (distance) C4'-P energy: -31.425
bonds (distance) P-C4' energy: -26.468
flat angles C4'-P-C4' energy: -27.634
flat angles P-C4'-P energy: -24.695
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: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -556.699068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.699068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.699068 (E_RNA)
where:
Base-Base interactions energy: -398.670
where: short stacking energy: -156.971
Base-Backbone interact. energy: -0.810
local terms energy: -157.218398
where:
bonds (distance) C4'-P energy: -22.849
bonds (distance) P-C4' energy: -31.340
flat angles C4'-P-C4' energy: -31.439
flat angles P-C4'-P energy: -24.883
tors. eta vs tors. theta energy: -46.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -539.487103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.487103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.487103 (E_RNA)
where:
Base-Base interactions energy: -394.059
where: short stacking energy: -154.080
Base-Backbone interact. energy: -0.019
local terms energy: -145.408774
where:
bonds (distance) C4'-P energy: -25.750
bonds (distance) P-C4' energy: -28.410
flat angles C4'-P-C4' energy: -27.136
flat angles P-C4'-P energy: -20.146
tors. eta vs tors. theta energy: -43.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -554.006118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.006118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.006118 (E_RNA)
where:
Base-Base interactions energy: -405.780
where: short stacking energy: -158.940
Base-Backbone interact. energy: -0.319
local terms energy: -147.907418
where:
bonds (distance) C4'-P energy: -24.191
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -30.633
flat angles P-C4'-P energy: -22.413
tors. eta vs tors. theta energy: -46.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -538.506988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.506988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.506988 (E_RNA)
where:
Base-Base interactions energy: -397.883
where: short stacking energy: -151.512
Base-Backbone interact. energy: -0.457
local terms energy: -140.166751
where:
bonds (distance) C4'-P energy: -23.712
bonds (distance) P-C4' energy: -25.157
flat angles C4'-P-C4' energy: -25.884
flat angles P-C4'-P energy: -19.877
tors. eta vs tors. theta energy: -45.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -524.422252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.422252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.422252 (E_RNA)
where:
Base-Base interactions energy: -374.037
where: short stacking energy: -145.472
Base-Backbone interact. energy: -0.696
local terms energy: -149.689019
where:
bonds (distance) C4'-P energy: -24.114
bonds (distance) P-C4' energy: -29.771
flat angles C4'-P-C4' energy: -28.798
flat angles P-C4'-P energy: -21.476
tors. eta vs tors. theta energy: -45.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -526.215615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.215615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.215615 (E_RNA)
where:
Base-Base interactions energy: -380.044
where: short stacking energy: -151.890
Base-Backbone interact. energy: -0.212
local terms energy: -145.958761
where:
bonds (distance) C4'-P energy: -25.429
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -28.393
flat angles P-C4'-P energy: -23.581
tors. eta vs tors. theta energy: -46.627
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: 8, replica: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -521.576868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.576868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.576868 (E_RNA)
where:
Base-Base interactions energy: -382.746
where: short stacking energy: -154.387
Base-Backbone interact. energy: -0.608
local terms energy: -138.222808
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -28.665
flat angles P-C4'-P energy: -18.268
tors. eta vs tors. theta energy: -44.492
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: 230
Temperature: 1.300000
Total energy: -504.050063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.050063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.050063 (E_RNA)
where:
Base-Base interactions energy: -377.838
where: short stacking energy: -142.843
Base-Backbone interact. energy: -0.314
local terms energy: -125.897815
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -26.335
flat angles C4'-P-C4' energy: -22.001
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -45.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -509.297179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.297179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.297179 (E_RNA)
where:
Base-Base interactions energy: -367.627
where: short stacking energy: -142.315
Base-Backbone interact. energy: -0.368
local terms energy: -141.301905
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -24.969
flat angles C4'-P-C4' energy: -27.660
flat angles P-C4'-P energy: -23.472
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: 1, replica: 10
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -561.928986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.928986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.928986 (E_RNA)
where:
Base-Base interactions energy: -403.966
where: short stacking energy: -159.874
Base-Backbone interact. energy: -0.670
local terms energy: -157.293569
where:
bonds (distance) C4'-P energy: -30.529
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -32.937
flat angles P-C4'-P energy: -23.841
tors. eta vs tors. theta energy: -46.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -559.850182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.850182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.850182 (E_RNA)
where:
Base-Base interactions energy: -404.349
where: short stacking energy: -162.704
Base-Backbone interact. energy: -0.006
local terms energy: -155.495310
where:
bonds (distance) C4'-P energy: -25.206
bonds (distance) P-C4' energy: -29.143
flat angles C4'-P-C4' energy: -31.908
flat angles P-C4'-P energy: -24.222
tors. eta vs tors. theta energy: -45.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -552.566619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.566619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.566619 (E_RNA)
where:
Base-Base interactions energy: -398.739
where: short stacking energy: -155.687
Base-Backbone interact. energy: -0.828
local terms energy: -152.999842
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -30.784
flat angles C4'-P-C4' energy: -28.835
flat angles P-C4'-P energy: -25.780
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: 4, replica: 6
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -549.283138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.283138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.283138 (E_RNA)
where:
Base-Base interactions energy: -396.125
where: short stacking energy: -157.050
Base-Backbone interact. energy: -0.740
local terms energy: -152.418511
where:
bonds (distance) C4'-P energy: -25.761
bonds (distance) P-C4' energy: -28.222
flat angles C4'-P-C4' energy: -31.550
flat angles P-C4'-P energy: -21.272
tors. eta vs tors. theta energy: -45.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -536.031069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.031069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.031069 (E_RNA)
where:
Base-Base interactions energy: -393.488
where: short stacking energy: -156.218
Base-Backbone interact. energy: -0.042
local terms energy: -142.500597
where:
bonds (distance) C4'-P energy: -30.622
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -25.283
flat angles P-C4'-P energy: -21.808
tors. eta vs tors. theta energy: -47.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -534.711826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.711826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.711826 (E_RNA)
where:
Base-Base interactions energy: -387.969
where: short stacking energy: -151.179
Base-Backbone interact. energy: -0.390
local terms energy: -146.353758
where:
bonds (distance) C4'-P energy: -28.374
bonds (distance) P-C4' energy: -21.075
flat angles C4'-P-C4' energy: -27.985
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -46.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -527.971966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.971966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.971966 (E_RNA)
where:
Base-Base interactions energy: -379.242
where: short stacking energy: -149.588
Base-Backbone interact. energy: -0.736
local terms energy: -147.993929
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -28.414
flat angles C4'-P-C4' energy: -32.617
flat angles P-C4'-P energy: -21.243
tors. eta vs tors. theta energy: -43.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -506.445328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.445328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.445328 (E_RNA)
where:
Base-Base interactions energy: -369.235
where: short stacking energy: -148.492
Base-Backbone interact. energy: -1.389
local terms energy: -135.821319
where:
bonds (distance) C4'-P energy: -25.306
bonds (distance) P-C4' energy: -27.934
flat angles C4'-P-C4' energy: -23.123
flat angles P-C4'-P energy: -15.249
tors. eta vs tors. theta energy: -44.209
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: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -502.815155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.815155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.815155 (E_RNA)
where:
Base-Base interactions energy: -368.549
where: short stacking energy: -141.052
Base-Backbone interact. energy: -0.370
local terms energy: -133.895940
where:
bonds (distance) C4'-P energy: -23.650
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -28.057
flat angles P-C4'-P energy: -20.956
tors. eta vs tors. theta energy: -41.642
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: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -499.060963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.060963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.060963 (E_RNA)
where:
Base-Base interactions energy: -360.930
where: short stacking energy: -142.313
Base-Backbone interact. energy: -0.000
local terms energy: -138.130537
where:
bonds (distance) C4'-P energy: -22.793
bonds (distance) P-C4' energy: -25.585
flat angles C4'-P-C4' energy: -29.987
flat angles P-C4'-P energy: -16.541
tors. eta vs tors. theta energy: -43.225
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: 10
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -557.223796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.223796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.223796 (E_RNA)
where:
Base-Base interactions energy: -399.009
where: short stacking energy: -158.605
Base-Backbone interact. energy: -0.006
local terms energy: -158.208095
where:
bonds (distance) C4'-P energy: -31.122
bonds (distance) P-C4' energy: -25.773
flat angles C4'-P-C4' energy: -33.176
flat angles P-C4'-P energy: -21.847
tors. eta vs tors. theta energy: -46.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -556.781182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.781182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.781182 (E_RNA)
where:
Base-Base interactions energy: -401.971
where: short stacking energy: -156.848
Base-Backbone interact. energy: 0.100
local terms energy: -154.909692
where:
bonds (distance) C4'-P energy: -27.012
bonds (distance) P-C4' energy: -27.338
flat angles C4'-P-C4' energy: -33.722
flat angles P-C4'-P energy: -23.072
tors. eta vs tors. theta energy: -43.766
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: 6
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -547.079781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.079781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.079781 (E_RNA)
where:
Base-Base interactions energy: -393.662
where: short stacking energy: -143.126
Base-Backbone interact. energy: -0.360
local terms energy: -153.058432
where:
bonds (distance) C4'-P energy: -28.087
bonds (distance) P-C4' energy: -26.385
flat angles C4'-P-C4' energy: -30.052
flat angles P-C4'-P energy: -25.067
tors. eta vs tors. theta energy: -43.468
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: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -541.325006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.325006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.325006 (E_RNA)
where:
Base-Base interactions energy: -389.326
where: short stacking energy: -155.029
Base-Backbone interact. energy: -0.032
local terms energy: -151.967012
where:
bonds (distance) C4'-P energy: -31.691
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -30.426
flat angles P-C4'-P energy: -20.800
tors. eta vs tors. theta energy: -48.119
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: 5, replica: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -549.233415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.233415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.233415 (E_RNA)
where:
Base-Base interactions energy: -409.063
where: short stacking energy: -158.755
Base-Backbone interact. energy: -0.011
local terms energy: -140.159193
where:
bonds (distance) C4'-P energy: -25.051
bonds (distance) P-C4' energy: -23.174
flat angles C4'-P-C4' energy: -28.320
flat angles P-C4'-P energy: -18.237
tors. eta vs tors. theta energy: -45.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -528.688168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.688168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.688168 (E_RNA)
where:
Base-Base interactions energy: -383.971
where: short stacking energy: -150.438
Base-Backbone interact. energy: -0.295
local terms energy: -144.421988
where:
bonds (distance) C4'-P energy: -23.335
bonds (distance) P-C4' energy: -30.126
flat angles C4'-P-C4' energy: -27.913
flat angles P-C4'-P energy: -17.418
tors. eta vs tors. theta energy: -45.628
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: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -519.204082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.204082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.204082 (E_RNA)
where:
Base-Base interactions energy: -388.833
where: short stacking energy: -155.606
Base-Backbone interact. energy: -0.426
local terms energy: -129.944210
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -29.378
flat angles P-C4'-P energy: -21.917
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: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -507.988763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.988763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.988763 (E_RNA)
where:
Base-Base interactions energy: -377.757
where: short stacking energy: -143.242
Base-Backbone interact. energy: -0.963
local terms energy: -129.268916
where:
bonds (distance) C4'-P energy: -26.965
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -27.541
flat angles P-C4'-P energy: -18.004
tors. eta vs tors. theta energy: -41.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -490.293959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.293959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.293959 (E_RNA)
where:
Base-Base interactions energy: -367.717
where: short stacking energy: -140.553
Base-Backbone interact. energy: -0.080
local terms energy: -122.496896
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -26.378
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -40.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -497.991582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.991582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.991582 (E_RNA)
where:
Base-Base interactions energy: -370.710
where: short stacking energy: -143.024
Base-Backbone interact. energy: -0.725
local terms energy: -126.556201
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -26.061
flat angles P-C4'-P energy: -19.142
tors. eta vs tors. theta energy: -44.915
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: 10
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -557.402526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.402526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.402526 (E_RNA)
where:
Base-Base interactions energy: -403.613
where: short stacking energy: -155.887
Base-Backbone interact. energy: -0.597
local terms energy: -153.192382
where:
bonds (distance) C4'-P energy: -27.087
bonds (distance) P-C4' energy: -26.617
flat angles C4'-P-C4' energy: -31.763
flat angles P-C4'-P energy: -21.287
tors. eta vs tors. theta energy: -46.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -553.407839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.407839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.407839 (E_RNA)
where:
Base-Base interactions energy: -407.788
where: short stacking energy: -157.745
Base-Backbone interact. energy: -0.001
local terms energy: -145.619108
where:
bonds (distance) C4'-P energy: -25.911
bonds (distance) P-C4' energy: -24.583
flat angles C4'-P-C4' energy: -27.249
flat angles P-C4'-P energy: -20.878
tors. eta vs tors. theta energy: -46.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -547.034605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.034605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.034605 (E_RNA)
where:
Base-Base interactions energy: -399.680
where: short stacking energy: -157.778
Base-Backbone interact. energy: -0.654
local terms energy: -146.700782
where:
bonds (distance) C4'-P energy: -24.809
bonds (distance) P-C4' energy: -25.507
flat angles C4'-P-C4' energy: -26.934
flat angles P-C4'-P energy: -25.306
tors. eta vs tors. theta energy: -44.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -552.422977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.422977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.422977 (E_RNA)
where:
Base-Base interactions energy: -400.001
where: short stacking energy: -152.043
Base-Backbone interact. energy: -0.002
local terms energy: -152.420028
where:
bonds (distance) C4'-P energy: -23.299
bonds (distance) P-C4' energy: -28.201
flat angles C4'-P-C4' energy: -33.010
flat angles P-C4'-P energy: -21.106
tors. eta vs tors. theta energy: -46.805
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: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -535.911028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.911028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.911028 (E_RNA)
where:
Base-Base interactions energy: -390.317
where: short stacking energy: -147.547
Base-Backbone interact. energy: -0.195
local terms energy: -145.399084
where:
bonds (distance) C4'-P energy: -26.311
bonds (distance) P-C4' energy: -21.733
flat angles C4'-P-C4' energy: -30.927
flat angles P-C4'-P energy: -19.075
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: 6, replica: 7
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -528.637867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.637867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.637867 (E_RNA)
where:
Base-Base interactions energy: -391.437
where: short stacking energy: -153.243
Base-Backbone interact. energy: -0.513
local terms energy: -136.687660
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -23.418
flat angles C4'-P-C4' energy: -28.064
flat angles P-C4'-P energy: -19.763
tors. eta vs tors. theta energy: -46.449
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: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -526.592050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.592050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.592050 (E_RNA)
where:
Base-Base interactions energy: -380.165
where: short stacking energy: -145.815
Base-Backbone interact. energy: -0.285
local terms energy: -146.141299
where:
bonds (distance) C4'-P energy: -27.326
bonds (distance) P-C4' energy: -24.603
flat angles C4'-P-C4' energy: -29.472
flat angles P-C4'-P energy: -22.108
tors. eta vs tors. theta energy: -42.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -511.393669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.393669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.393669 (E_RNA)
where:
Base-Base interactions energy: -388.533
where: short stacking energy: -149.349
Base-Backbone interact. energy: -0.242
local terms energy: -122.619123
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -30.602
flat angles P-C4'-P energy: -16.810
tors. eta vs tors. theta energy: -45.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -512.022977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.022977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.022977 (E_RNA)
where:
Base-Base interactions energy: -376.265
where: short stacking energy: -144.434
Base-Backbone interact. energy: -0.888
local terms energy: -134.869347
where:
bonds (distance) C4'-P energy: -23.661
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -27.950
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -45.109
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: 10, replica: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -503.085819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.085819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.085819 (E_RNA)
where:
Base-Base interactions energy: -370.150
where: short stacking energy: -137.183
Base-Backbone interact. energy: -0.816
local terms energy: -132.119825
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -32.023
flat angles C4'-P-C4' energy: -24.139
flat angles P-C4'-P energy: -18.644
tors. eta vs tors. theta energy: -41.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -557.907157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.907157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.907157 (E_RNA)
where:
Base-Base interactions energy: -403.376
where: short stacking energy: -161.701
Base-Backbone interact. energy: -0.404
local terms energy: -154.127511
where:
bonds (distance) C4'-P energy: -24.486
bonds (distance) P-C4' energy: -29.783
flat angles C4'-P-C4' energy: -32.227
flat angles P-C4'-P energy: -22.862
tors. eta vs tors. theta energy: -44.770
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: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -556.607641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.607641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.607641 (E_RNA)
where:
Base-Base interactions energy: -398.500
where: short stacking energy: -156.022
Base-Backbone interact. energy: -0.277
local terms energy: -157.830992
where:
bonds (distance) C4'-P energy: -25.900
bonds (distance) P-C4' energy: -28.524
flat angles C4'-P-C4' energy: -34.245
flat angles P-C4'-P energy: -22.149
tors. eta vs tors. theta energy: -47.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -546.198100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.198100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.198100 (E_RNA)
where:
Base-Base interactions energy: -393.941
where: short stacking energy: -150.503
Base-Backbone interact. energy: -0.006
local terms energy: -152.251656
where:
bonds (distance) C4'-P energy: -23.825
bonds (distance) P-C4' energy: -25.792
flat angles C4'-P-C4' energy: -33.706
flat angles P-C4'-P energy: -23.195
tors. eta vs tors. theta energy: -45.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -543.969012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.969012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.969012 (E_RNA)
where:
Base-Base interactions energy: -394.654
where: short stacking energy: -156.477
Base-Backbone interact. energy: -0.021
local terms energy: -149.294323
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -27.476
flat angles C4'-P-C4' energy: -33.545
flat angles P-C4'-P energy: -20.119
tors. eta vs tors. theta energy: -46.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -545.283306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.283306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.283306 (E_RNA)
where:
Base-Base interactions energy: -390.299
where: short stacking energy: -153.369
Base-Backbone interact. energy: 0.618
local terms energy: -155.601751
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -31.038
flat angles C4'-P-C4' energy: -30.365
flat angles P-C4'-P energy: -23.980
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: 6, replica: 2
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -529.037129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.037129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.037129 (E_RNA)
where:
Base-Base interactions energy: -380.621
where: short stacking energy: -145.426
Base-Backbone interact. energy: -0.512
local terms energy: -147.904067
where:
bonds (distance) C4'-P energy: -27.389
bonds (distance) P-C4' energy: -27.480
flat angles C4'-P-C4' energy: -29.332
flat angles P-C4'-P energy: -19.947
tors. eta vs tors. theta energy: -43.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -511.237288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.237288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.237288 (E_RNA)
where:
Base-Base interactions energy: -369.839
where: short stacking energy: -142.717
Base-Backbone interact. energy: 0.201
local terms energy: -141.599113
where:
bonds (distance) C4'-P energy: -23.125
bonds (distance) P-C4' energy: -24.322
flat angles C4'-P-C4' energy: -31.596
flat angles P-C4'-P energy: -17.476
tors. eta vs tors. theta energy: -45.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -522.199050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.199050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.199050 (E_RNA)
where:
Base-Base interactions energy: -381.205
where: short stacking energy: -142.712
Base-Backbone interact. energy: -1.611
local terms energy: -139.383135
where:
bonds (distance) C4'-P energy: -25.487
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -30.498
flat angles P-C4'-P energy: -23.995
tors. eta vs tors. theta energy: -45.161
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: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -509.918461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.918461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.918461 (E_RNA)
where:
Base-Base interactions energy: -367.686
where: short stacking energy: -146.709
Base-Backbone interact. energy: -0.186
local terms energy: -142.045986
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -22.504
flat angles C4'-P-C4' energy: -31.319
flat angles P-C4'-P energy: -19.954
tors. eta vs tors. theta energy: -46.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -495.255165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.255165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.255165 (E_RNA)
where:
Base-Base interactions energy: -368.774
where: short stacking energy: -138.547
Base-Backbone interact. energy: -0.010
local terms energy: -126.471505
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -25.369
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -40.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -558.913427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.913427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.913427 (E_RNA)
where:
Base-Base interactions energy: -398.936
where: short stacking energy: -159.615
Base-Backbone interact. energy: -0.001
local terms energy: -159.976657
where:
bonds (distance) C4'-P energy: -28.055
bonds (distance) P-C4' energy: -27.627
flat angles C4'-P-C4' energy: -31.269
flat angles P-C4'-P energy: -24.979
tors. eta vs tors. theta energy: -48.046
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: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -557.088151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.088151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.088151 (E_RNA)
where:
Base-Base interactions energy: -403.861
where: short stacking energy: -160.112
Base-Backbone interact. energy: -0.130
local terms energy: -153.096819
where:
bonds (distance) C4'-P energy: -27.475
bonds (distance) P-C4' energy: -25.673
flat angles C4'-P-C4' energy: -33.678
flat angles P-C4'-P energy: -21.957
tors. eta vs tors. theta energy: -44.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -550.507868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.507868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.507868 (E_RNA)
where:
Base-Base interactions energy: -399.431
where: short stacking energy: -157.281
Base-Backbone interact. energy: -0.019
local terms energy: -151.058310
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -31.231
flat angles C4'-P-C4' energy: -31.232
flat angles P-C4'-P energy: -21.089
tors. eta vs tors. theta energy: -48.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -537.863060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.863060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.863060 (E_RNA)
where:
Base-Base interactions energy: -390.329
where: short stacking energy: -153.928
Base-Backbone interact. energy: -0.405
local terms energy: -147.129179
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -28.797
flat angles C4'-P-C4' energy: -29.060
flat angles P-C4'-P energy: -20.955
tors. eta vs tors. theta energy: -45.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -532.299084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.299084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.299084 (E_RNA)
where:
Base-Base interactions energy: -391.452
where: short stacking energy: -152.693
Base-Backbone interact. energy: -0.414
local terms energy: -140.434004
where:
bonds (distance) C4'-P energy: -22.649
bonds (distance) P-C4' energy: -22.085
flat angles C4'-P-C4' energy: -28.134
flat angles P-C4'-P energy: -20.247
tors. eta vs tors. theta energy: -47.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -526.989836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.989836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.989836 (E_RNA)
where:
Base-Base interactions energy: -385.464
where: short stacking energy: -155.730
Base-Backbone interact. energy: -0.315
local terms energy: -141.211237
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -26.939
flat angles C4'-P-C4' energy: -26.403
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -48.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -520.945522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.945522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.945522 (E_RNA)
where:
Base-Base interactions energy: -385.480
where: short stacking energy: -146.003
Base-Backbone interact. energy: -0.001
local terms energy: -135.464373
where:
bonds (distance) C4'-P energy: -23.265
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -29.816
flat angles P-C4'-P energy: -20.636
tors. eta vs tors. theta energy: -47.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -515.188527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.188527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.188527 (E_RNA)
where:
Base-Base interactions energy: -373.071
where: short stacking energy: -141.025
Base-Backbone interact. energy: -0.740
local terms energy: -141.378011
where:
bonds (distance) C4'-P energy: -20.428
bonds (distance) P-C4' energy: -24.936
flat angles C4'-P-C4' energy: -31.435
flat angles P-C4'-P energy: -22.864
tors. eta vs tors. theta energy: -41.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -507.020053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.020053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.020053 (E_RNA)
where:
Base-Base interactions energy: -370.849
where: short stacking energy: -139.962
Base-Backbone interact. energy: -0.436
local terms energy: -135.735985
where:
bonds (distance) C4'-P energy: -9.762
bonds (distance) P-C4' energy: -28.571
flat angles C4'-P-C4' energy: -31.855
flat angles P-C4'-P energy: -19.549
tors. eta vs tors. theta energy: -45.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -497.885432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.885432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.885432 (E_RNA)
where:
Base-Base interactions energy: -360.059
where: short stacking energy: -137.832
Base-Backbone interact. energy: -0.273
local terms energy: -137.553282
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -28.761
flat angles C4'-P-C4' energy: -27.832
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: -43.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -558.182799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.182799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.182799 (E_RNA)
where:
Base-Base interactions energy: -406.457
where: short stacking energy: -164.012
Base-Backbone interact. energy: -0.004
local terms energy: -151.722144
where:
bonds (distance) C4'-P energy: -29.436
bonds (distance) P-C4' energy: -21.935
flat angles C4'-P-C4' energy: -27.912
flat angles P-C4'-P energy: -24.963
tors. eta vs tors. theta energy: -47.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -538.933190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.933190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.933190 (E_RNA)
where:
Base-Base interactions energy: -397.322
where: short stacking energy: -155.516
Base-Backbone interact. energy: -0.061
local terms energy: -141.550297
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -27.492
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -21.359
tors. eta vs tors. theta energy: -44.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -548.696221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.696221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.696221 (E_RNA)
where:
Base-Base interactions energy: -405.281
where: short stacking energy: -158.783
Base-Backbone interact. energy: -0.664
local terms energy: -142.750593
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -25.234
flat angles C4'-P-C4' energy: -26.489
flat angles P-C4'-P energy: -22.848
tors. eta vs tors. theta energy: -47.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -555.921658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.921658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.921658 (E_RNA)
where:
Base-Base interactions energy: -401.428
where: short stacking energy: -159.218
Base-Backbone interact. energy: -1.037
local terms energy: -153.456735
where:
bonds (distance) C4'-P energy: -25.831
bonds (distance) P-C4' energy: -28.657
flat angles C4'-P-C4' energy: -30.296
flat angles P-C4'-P energy: -21.391
tors. eta vs tors. theta energy: -47.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -545.004390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.004390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.004390 (E_RNA)
where:
Base-Base interactions energy: -403.079
where: short stacking energy: -158.140
Base-Backbone interact. energy: -0.542
local terms energy: -141.383214
where:
bonds (distance) C4'-P energy: -25.667
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -25.514
flat angles P-C4'-P energy: -23.631
tors. eta vs tors. theta energy: -48.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -529.647519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.647519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.647519 (E_RNA)
where:
Base-Base interactions energy: -380.816
where: short stacking energy: -142.805
Base-Backbone interact. energy: -0.004
local terms energy: -148.827144
where:
bonds (distance) C4'-P energy: -26.093
bonds (distance) P-C4' energy: -32.859
flat angles C4'-P-C4' energy: -27.131
flat angles P-C4'-P energy: -19.071
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: 7, replica: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -521.588757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.588757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.588757 (E_RNA)
where:
Base-Base interactions energy: -375.660
where: short stacking energy: -146.409
Base-Backbone interact. energy: -0.396
local terms energy: -145.533180
where:
bonds (distance) C4'-P energy: -23.312
bonds (distance) P-C4' energy: -23.420
flat angles C4'-P-C4' energy: -34.911
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -46.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -516.413706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.413706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.413706 (E_RNA)
where:
Base-Base interactions energy: -376.001
where: short stacking energy: -143.232
Base-Backbone interact. energy: -0.671
local terms energy: -139.742001
where:
bonds (distance) C4'-P energy: -23.289
bonds (distance) P-C4' energy: -23.396
flat angles C4'-P-C4' energy: -29.857
flat angles P-C4'-P energy: -19.095
tors. eta vs tors. theta energy: -44.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -526.263164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.263164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.263164 (E_RNA)
where:
Base-Base interactions energy: -383.978
where: short stacking energy: -151.439
Base-Backbone interact. energy: -1.568
local terms energy: -140.716842
where:
bonds (distance) C4'-P energy: -23.891
bonds (distance) P-C4' energy: -21.945
flat angles C4'-P-C4' energy: -26.041
flat angles P-C4'-P energy: -23.088
tors. eta vs tors. theta energy: -45.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -501.540207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.540207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.540207 (E_RNA)
where:
Base-Base interactions energy: -361.735
where: short stacking energy: -137.642
Base-Backbone interact. energy: -0.104
local terms energy: -139.700341
where:
bonds (distance) C4'-P energy: -26.672
bonds (distance) P-C4' energy: -24.237
flat angles C4'-P-C4' energy: -27.305
flat angles P-C4'-P energy: -17.733
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: 1, replica: 6
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -561.294287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.294287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.294287 (E_RNA)
where:
Base-Base interactions energy: -396.377
where: short stacking energy: -153.450
Base-Backbone interact. energy: 0.236
local terms energy: -165.153632
where:
bonds (distance) C4'-P energy: -30.014
bonds (distance) P-C4' energy: -30.142
flat angles C4'-P-C4' energy: -35.823
flat angles P-C4'-P energy: -21.531
tors. eta vs tors. theta energy: -47.644
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: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -553.198187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.198187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.198187 (E_RNA)
where:
Base-Base interactions energy: -401.748
where: short stacking energy: -158.724
Base-Backbone interact. energy: -0.002
local terms energy: -151.448206
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -26.423
flat angles C4'-P-C4' energy: -31.355
flat angles P-C4'-P energy: -23.621
tors. eta vs tors. theta energy: -46.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -553.709837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.709837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.709837 (E_RNA)
where:
Base-Base interactions energy: -400.256
where: short stacking energy: -152.914
Base-Backbone interact. energy: -0.294
local terms energy: -153.159557
where:
bonds (distance) C4'-P energy: -25.679
bonds (distance) P-C4' energy: -28.780
flat angles C4'-P-C4' energy: -32.288
flat angles P-C4'-P energy: -21.030
tors. eta vs tors. theta energy: -45.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -546.383506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.383506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.383506 (E_RNA)
where:
Base-Base interactions energy: -404.319
where: short stacking energy: -159.366
Base-Backbone interact. energy: -0.921
local terms energy: -141.143233
where:
bonds (distance) C4'-P energy: -22.149
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -27.645
flat angles P-C4'-P energy: -20.314
tors. eta vs tors. theta energy: -44.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -531.969808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.969808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.969808 (E_RNA)
where:
Base-Base interactions energy: -391.896
where: short stacking energy: -149.782
Base-Backbone interact. energy: -0.094
local terms energy: -139.979729
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -25.377
flat angles C4'-P-C4' energy: -31.586
flat angles P-C4'-P energy: -18.884
tors. eta vs tors. theta energy: -43.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -525.804491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.804491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.804491 (E_RNA)
where:
Base-Base interactions energy: -383.645
where: short stacking energy: -151.611
Base-Backbone interact. energy: -0.871
local terms energy: -141.288656
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -29.785
flat angles P-C4'-P energy: -21.039
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: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -521.833916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.833916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.833916 (E_RNA)
where:
Base-Base interactions energy: -379.179
where: short stacking energy: -149.236
Base-Backbone interact. energy: 0.153
local terms energy: -142.808234
where:
bonds (distance) C4'-P energy: -23.491
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -32.320
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -45.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -521.125935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.125935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.125935 (E_RNA)
where:
Base-Base interactions energy: -386.889
where: short stacking energy: -151.703
Base-Backbone interact. energy: -0.431
local terms energy: -133.805881
where:
bonds (distance) C4'-P energy: -23.393
bonds (distance) P-C4' energy: -22.009
flat angles C4'-P-C4' energy: -29.559
flat angles P-C4'-P energy: -16.466
tors. eta vs tors. theta energy: -42.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -498.042405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.042405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.042405 (E_RNA)
where:
Base-Base interactions energy: -365.816
where: short stacking energy: -141.859
Base-Backbone interact. energy: -0.126
local terms energy: -132.100679
where:
bonds (distance) C4'-P energy: -22.663
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -28.456
flat angles P-C4'-P energy: -19.778
tors. eta vs tors. theta energy: -44.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -495.300500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.300500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.300500 (E_RNA)
where:
Base-Base interactions energy: -358.932
where: short stacking energy: -144.879
Base-Backbone interact. energy: -0.065
local terms energy: -136.303324
where:
bonds (distance) C4'-P energy: -21.797
bonds (distance) P-C4' energy: -26.279
flat angles C4'-P-C4' energy: -27.569
flat angles P-C4'-P energy: -20.687
tors. eta vs tors. theta energy: -39.971
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: 1, replica: 10
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -560.783178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.783178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.783178 (E_RNA)
where:
Base-Base interactions energy: -407.957
where: short stacking energy: -157.928
Base-Backbone interact. energy: -0.468
local terms energy: -152.357825
where:
bonds (distance) C4'-P energy: -29.435
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -32.925
flat angles P-C4'-P energy: -23.486
tors. eta vs tors. theta energy: -45.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -561.184810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.184810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.184810 (E_RNA)
where:
Base-Base interactions energy: -396.935
where: short stacking energy: -152.253
Base-Backbone interact. energy: -0.000
local terms energy: -164.249509
where:
bonds (distance) C4'-P energy: -29.715
bonds (distance) P-C4' energy: -26.993
flat angles C4'-P-C4' energy: -34.493
flat angles P-C4'-P energy: -25.537
tors. eta vs tors. theta energy: -47.511
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: 9
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -545.518940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.518940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.518940 (E_RNA)
where:
Base-Base interactions energy: -394.923
where: short stacking energy: -156.715
Base-Backbone interact. energy: -0.004
local terms energy: -150.592245
where:
bonds (distance) C4'-P energy: -24.619
bonds (distance) P-C4' energy: -24.968
flat angles C4'-P-C4' energy: -31.539
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -46.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -542.529698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.529698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.529698 (E_RNA)
where:
Base-Base interactions energy: -396.391
where: short stacking energy: -157.082
Base-Backbone interact. energy: -0.825
local terms energy: -145.313653
where:
bonds (distance) C4'-P energy: -23.857
bonds (distance) P-C4' energy: -26.064
flat angles C4'-P-C4' energy: -25.462
flat angles P-C4'-P energy: -21.921
tors. eta vs tors. theta energy: -48.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -531.001108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.001108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.001108 (E_RNA)
where:
Base-Base interactions energy: -380.838
where: short stacking energy: -153.384
Base-Backbone interact. energy: -0.708
local terms energy: -149.455507
where:
bonds (distance) C4'-P energy: -26.832
bonds (distance) P-C4' energy: -28.396
flat angles C4'-P-C4' energy: -27.840
flat angles P-C4'-P energy: -18.785
tors. eta vs tors. theta energy: -47.602
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: 6, replica: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -528.482099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.482099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.482099 (E_RNA)
where:
Base-Base interactions energy: -385.948
where: short stacking energy: -155.572
Base-Backbone interact. energy: -1.281
local terms energy: -141.252329
where:
bonds (distance) C4'-P energy: -20.639
bonds (distance) P-C4' energy: -23.134
flat angles C4'-P-C4' energy: -28.873
flat angles P-C4'-P energy: -24.120
tors. eta vs tors. theta energy: -44.486
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: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -517.905579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.905579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.905579 (E_RNA)
where:
Base-Base interactions energy: -382.059
where: short stacking energy: -139.548
Base-Backbone interact. energy: -0.401
local terms energy: -135.445742
where:
bonds (distance) C4'-P energy: -24.197
bonds (distance) P-C4' energy: -18.648
flat angles C4'-P-C4' energy: -30.760
flat angles P-C4'-P energy: -20.654
tors. eta vs tors. theta energy: -41.186
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: 4
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -502.240188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.240188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.240188 (E_RNA)
where:
Base-Base interactions energy: -357.875
where: short stacking energy: -139.259
Base-Backbone interact. energy: -0.123
local terms energy: -144.241892
where:
bonds (distance) C4'-P energy: -20.461
bonds (distance) P-C4' energy: -26.788
flat angles C4'-P-C4' energy: -29.954
flat angles P-C4'-P energy: -19.695
tors. eta vs tors. theta energy: -47.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -505.530001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.530001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.530001 (E_RNA)
where:
Base-Base interactions energy: -363.956
where: short stacking energy: -142.754
Base-Backbone interact. energy: -1.288
local terms energy: -140.285945
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -31.520
flat angles C4'-P-C4' energy: -28.612
flat angles P-C4'-P energy: -17.252
tors. eta vs tors. theta energy: -45.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -491.899611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.899611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.899611 (E_RNA)
where:
Base-Base interactions energy: -350.212
where: short stacking energy: -135.210
Base-Backbone interact. energy: -0.222
local terms energy: -141.465553
where:
bonds (distance) C4'-P energy: -22.947
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -25.905
flat angles P-C4'-P energy: -25.534
tors. eta vs tors. theta energy: -44.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -554.973347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.973347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.973347 (E_RNA)
where:
Base-Base interactions energy: -395.929
where: short stacking energy: -155.399
Base-Backbone interact. energy: -1.238
local terms energy: -157.806409
where:
bonds (distance) C4'-P energy: -25.808
bonds (distance) P-C4' energy: -30.188
flat angles C4'-P-C4' energy: -31.149
flat angles P-C4'-P energy: -22.389
tors. eta vs tors. theta energy: -48.272
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: 6
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -559.484425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.484425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.484425 (E_RNA)
where:
Base-Base interactions energy: -409.236
where: short stacking energy: -159.578
Base-Backbone interact. energy: 0.017
local terms energy: -150.265777
where:
bonds (distance) C4'-P energy: -27.302
bonds (distance) P-C4' energy: -27.497
flat angles C4'-P-C4' energy: -26.745
flat angles P-C4'-P energy: -23.244
tors. eta vs tors. theta energy: -45.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -551.636891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.636891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.636891 (E_RNA)
where:
Base-Base interactions energy: -403.437
where: short stacking energy: -157.360
Base-Backbone interact. energy: -0.891
local terms energy: -147.307957
where:
bonds (distance) C4'-P energy: -28.939
bonds (distance) P-C4' energy: -25.789
flat angles C4'-P-C4' energy: -28.188
flat angles P-C4'-P energy: -18.519
tors. eta vs tors. theta energy: -45.874
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: 239
Temperature: 1.050000
Total energy: -547.241103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.241103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.241103 (E_RNA)
where:
Base-Base interactions energy: -399.312
where: short stacking energy: -160.437
Base-Backbone interact. energy: -1.771
local terms energy: -146.157970
where:
bonds (distance) C4'-P energy: -25.711
bonds (distance) P-C4' energy: -24.634
flat angles C4'-P-C4' energy: -30.114
flat angles P-C4'-P energy: -19.808
tors. eta vs tors. theta energy: -45.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -529.559427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.559427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.559427 (E_RNA)
where:
Base-Base interactions energy: -384.560
where: short stacking energy: -146.505
Base-Backbone interact. energy: 0.839
local terms energy: -145.837871
where:
bonds (distance) C4'-P energy: -24.949
bonds (distance) P-C4' energy: -26.102
flat angles C4'-P-C4' energy: -27.296
flat angles P-C4'-P energy: -22.300
tors. eta vs tors. theta energy: -45.190
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: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -536.652972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.652972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.652972 (E_RNA)
where:
Base-Base interactions energy: -384.630
where: short stacking energy: -150.966
Base-Backbone interact. energy: -1.240
local terms energy: -150.783103
where:
bonds (distance) C4'-P energy: -26.103
bonds (distance) P-C4' energy: -26.571
flat angles C4'-P-C4' energy: -28.746
flat angles P-C4'-P energy: -22.855
tors. eta vs tors. theta energy: -46.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -516.775188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.775188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.775188 (E_RNA)
where:
Base-Base interactions energy: -377.512
where: short stacking energy: -145.941
Base-Backbone interact. energy: -0.051
local terms energy: -139.211914
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -27.561
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -46.049
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: 8, replica: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -509.402416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.402416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.402416 (E_RNA)
where:
Base-Base interactions energy: -377.100
where: short stacking energy: -146.235
Base-Backbone interact. energy: -0.004
local terms energy: -132.299087
where:
bonds (distance) C4'-P energy: -20.348
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -25.573
flat angles P-C4'-P energy: -23.760
tors. eta vs tors. theta energy: -45.172
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: 4
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -502.372442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.372442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.372442 (E_RNA)
where:
Base-Base interactions energy: -363.355
where: short stacking energy: -135.400
Base-Backbone interact. energy: -0.862
local terms energy: -138.155452
where:
bonds (distance) C4'-P energy: -29.392
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -27.095
flat angles P-C4'-P energy: -23.311
tors. eta vs tors. theta energy: -38.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -503.629066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.629066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.629066 (E_RNA)
where:
Base-Base interactions energy: -357.654
where: short stacking energy: -137.701
Base-Backbone interact. energy: -0.190
local terms energy: -145.784542
where:
bonds (distance) C4'-P energy: -26.813
bonds (distance) P-C4' energy: -25.476
flat angles C4'-P-C4' energy: -30.242
flat angles P-C4'-P energy: -19.584
tors. eta vs tors. theta energy: -43.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -564.951633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.951633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.951633 (E_RNA)
where:
Base-Base interactions energy: -401.176
where: short stacking energy: -156.452
Base-Backbone interact. energy: -1.494
local terms energy: -162.281546
where:
bonds (distance) C4'-P energy: -30.389
bonds (distance) P-C4' energy: -27.634
flat angles C4'-P-C4' energy: -33.797
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -45.920
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: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -555.101781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.101781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.101781 (E_RNA)
where:
Base-Base interactions energy: -401.355
where: short stacking energy: -159.439
Base-Backbone interact. energy: -0.705
local terms energy: -153.042492
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -29.727
flat angles C4'-P-C4' energy: -32.806
flat angles P-C4'-P energy: -24.191
tors. eta vs tors. theta energy: -46.682
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: 7
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -565.284686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.284686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.284686 (E_RNA)
where:
Base-Base interactions energy: -409.177
where: short stacking energy: -157.748
Base-Backbone interact. energy: -0.329
local terms energy: -155.779260
where:
bonds (distance) C4'-P energy: -26.905
bonds (distance) P-C4' energy: -31.115
flat angles C4'-P-C4' energy: -29.230
flat angles P-C4'-P energy: -23.399
tors. eta vs tors. theta energy: -45.131
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: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -553.877096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.877096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.877096 (E_RNA)
where:
Base-Base interactions energy: -405.492
where: short stacking energy: -160.917
Base-Backbone interact. energy: -0.727
local terms energy: -147.657339
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -27.836
flat angles C4'-P-C4' energy: -28.396
flat angles P-C4'-P energy: -24.497
tors. eta vs tors. theta energy: -45.619
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: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -543.286528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.286528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.286528 (E_RNA)
where:
Base-Base interactions energy: -393.736
where: short stacking energy: -149.971
Base-Backbone interact. energy: -0.002
local terms energy: -149.547940
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -29.516
flat angles C4'-P-C4' energy: -33.333
flat angles P-C4'-P energy: -21.753
tors. eta vs tors. theta energy: -43.778
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: 1
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -526.312944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.312944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.312944 (E_RNA)
where:
Base-Base interactions energy: -378.695
where: short stacking energy: -149.445
Base-Backbone interact. energy: -1.888
local terms energy: -145.730590
where:
bonds (distance) C4'-P energy: -23.275
bonds (distance) P-C4' energy: -26.331
flat angles C4'-P-C4' energy: -31.724
flat angles P-C4'-P energy: -20.416
tors. eta vs tors. theta energy: -43.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -514.183701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.183701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.183701 (E_RNA)
where:
Base-Base interactions energy: -374.458
where: short stacking energy: -146.466
Base-Backbone interact. energy: -0.006
local terms energy: -139.719152
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -27.400
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -22.548
tors. eta vs tors. theta energy: -45.402
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: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -507.124569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.124569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.124569 (E_RNA)
where:
Base-Base interactions energy: -371.949
where: short stacking energy: -144.356
Base-Backbone interact. energy: -0.093
local terms energy: -135.082520
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -27.991
flat angles P-C4'-P energy: -19.264
tors. eta vs tors. theta energy: -45.221
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: 4
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -477.724146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.724146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.724146 (E_RNA)
where:
Base-Base interactions energy: -355.275
where: short stacking energy: -133.630
Base-Backbone interact. energy: 0.093
local terms energy: -122.541811
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -27.567
flat angles P-C4'-P energy: -21.441
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: 10, replica: 3
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -480.012030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.012030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.012030 (E_RNA)
where:
Base-Base interactions energy: -356.148
where: short stacking energy: -136.634
Base-Backbone interact. energy: -0.024
local terms energy: -123.840474
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -25.375
flat angles C4'-P-C4' energy: -25.452
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -41.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -560.740023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.740023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.740023 (E_RNA)
where:
Base-Base interactions energy: -403.229
where: short stacking energy: -162.717
Base-Backbone interact. energy: -0.522
local terms energy: -156.989667
where:
bonds (distance) C4'-P energy: -25.286
bonds (distance) P-C4' energy: -25.193
flat angles C4'-P-C4' energy: -33.954
flat angles P-C4'-P energy: -25.268
tors. eta vs tors. theta energy: -47.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -564.593063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.593063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.593063 (E_RNA)
where:
Base-Base interactions energy: -406.660
where: short stacking energy: -157.074
Base-Backbone interact. energy: -0.001
local terms energy: -157.931910
where:
bonds (distance) C4'-P energy: -32.277
bonds (distance) P-C4' energy: -28.100
flat angles C4'-P-C4' energy: -30.794
flat angles P-C4'-P energy: -20.148
tors. eta vs tors. theta energy: -46.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -546.974187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.974187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.974187 (E_RNA)
where:
Base-Base interactions energy: -402.010
where: short stacking energy: -157.902
Base-Backbone interact. energy: -0.007
local terms energy: -144.956701
where:
bonds (distance) C4'-P energy: -23.681
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -29.707
flat angles P-C4'-P energy: -19.587
tors. eta vs tors. theta energy: -47.946
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: 5
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -547.516731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.516731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.516731 (E_RNA)
where:
Base-Base interactions energy: -390.101
where: short stacking energy: -153.383
Base-Backbone interact. energy: -0.192
local terms energy: -157.224175
where:
bonds (distance) C4'-P energy: -24.838
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -31.460
flat angles P-C4'-P energy: -23.597
tors. eta vs tors. theta energy: -47.119
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: 5, replica: 9
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -529.201102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.201102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.201102 (E_RNA)
where:
Base-Base interactions energy: -392.581
where: short stacking energy: -154.071
Base-Backbone interact. energy: -0.339
local terms energy: -136.280963
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -27.194
flat angles C4'-P-C4' energy: -28.469
flat angles P-C4'-P energy: -18.674
tors. eta vs tors. theta energy: -41.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -516.393620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.393620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.393620 (E_RNA)
where:
Base-Base interactions energy: -378.510
where: short stacking energy: -149.165
Base-Backbone interact. energy: -0.016
local terms energy: -137.867875
where:
bonds (distance) C4'-P energy: -29.348
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -22.214
flat angles P-C4'-P energy: -20.891
tors. eta vs tors. theta energy: -43.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -517.316533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.316533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.316533 (E_RNA)
where:
Base-Base interactions energy: -369.817
where: short stacking energy: -143.843
Base-Backbone interact. energy: 0.093
local terms energy: -147.592582
where:
bonds (distance) C4'-P energy: -27.152
bonds (distance) P-C4' energy: -28.047
flat angles C4'-P-C4' energy: -27.564
flat angles P-C4'-P energy: -20.706
tors. eta vs tors. theta energy: -44.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -505.518637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.518637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.518637 (E_RNA)
where:
Base-Base interactions energy: -362.040
where: short stacking energy: -140.440
Base-Backbone interact. energy: -0.469
local terms energy: -143.009512
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -28.514
flat angles C4'-P-C4' energy: -25.561
flat angles P-C4'-P energy: -20.424
tors. eta vs tors. theta energy: -43.026
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: 9, replica: 2
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -507.669940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.669940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.669940 (E_RNA)
where:
Base-Base interactions energy: -383.566
where: short stacking energy: -150.873
Base-Backbone interact. energy: -0.039
local terms energy: -124.064293
where:
bonds (distance) C4'-P energy: -19.591
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -18.517
tors. eta vs tors. theta energy: -44.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -491.586146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.586146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.586146 (E_RNA)
where:
Base-Base interactions energy: -358.322
where: short stacking energy: -141.285
Base-Backbone interact. energy: -2.595
local terms energy: -130.669878
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -25.351
flat angles C4'-P-C4' energy: -28.283
flat angles P-C4'-P energy: -19.267
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: 1, replica: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -562.239528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.239528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.239528 (E_RNA)
where:
Base-Base interactions energy: -410.641
where: short stacking energy: -159.047
Base-Backbone interact. energy: -0.044
local terms energy: -151.554521
where:
bonds (distance) C4'-P energy: -26.815
bonds (distance) P-C4' energy: -23.989
flat angles C4'-P-C4' energy: -29.946
flat angles P-C4'-P energy: -22.715
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: 2, replica: 6
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -552.546293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.546293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.546293 (E_RNA)
where:
Base-Base interactions energy: -405.101
where: short stacking energy: -161.717
Base-Backbone interact. energy: -0.592
local terms energy: -146.854012
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -25.672
flat angles C4'-P-C4' energy: -31.271
flat angles P-C4'-P energy: -22.412
tors. eta vs tors. theta energy: -47.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -546.813349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.813349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.813349 (E_RNA)
where:
Base-Base interactions energy: -403.611
where: short stacking energy: -154.810
Base-Backbone interact. energy: -0.470
local terms energy: -142.732925
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -24.943
flat angles C4'-P-C4' energy: -28.900
flat angles P-C4'-P energy: -22.023
tors. eta vs tors. theta energy: -46.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -544.701650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.701650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.701650 (E_RNA)
where:
Base-Base interactions energy: -392.625
where: short stacking energy: -152.367
Base-Backbone interact. energy: -0.971
local terms energy: -151.105069
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -27.152
flat angles C4'-P-C4' energy: -29.904
flat angles P-C4'-P energy: -24.867
tors. eta vs tors. theta energy: -48.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -524.672765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.672765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.672765 (E_RNA)
where:
Base-Base interactions energy: -376.537
where: short stacking energy: -145.005
Base-Backbone interact. energy: -0.410
local terms energy: -147.725586
where:
bonds (distance) C4'-P energy: -22.998
bonds (distance) P-C4' energy: -29.368
flat angles C4'-P-C4' energy: -27.317
flat angles P-C4'-P energy: -20.013
tors. eta vs tors. theta energy: -48.029
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: 8
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -520.335483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.335483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.335483 (E_RNA)
where:
Base-Base interactions energy: -387.234
where: short stacking energy: -154.424
Base-Backbone interact. energy: -0.516
local terms energy: -132.585439
where:
bonds (distance) C4'-P energy: -24.336
bonds (distance) P-C4' energy: -26.526
flat angles C4'-P-C4' energy: -20.640
flat angles P-C4'-P energy: -15.756
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: 7, replica: 4
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -507.223059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.223059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.223059 (E_RNA)
where:
Base-Base interactions energy: -369.711
where: short stacking energy: -143.390
Base-Backbone interact. energy: -0.051
local terms energy: -137.460537
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -26.212
flat angles C4'-P-C4' energy: -27.223
flat angles P-C4'-P energy: -19.171
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: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -514.831728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.831728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.831728 (E_RNA)
where:
Base-Base interactions energy: -378.431
where: short stacking energy: -141.317
Base-Backbone interact. energy: -0.472
local terms energy: -135.928556
where:
bonds (distance) C4'-P energy: -22.748
bonds (distance) P-C4' energy: -28.374
flat angles C4'-P-C4' energy: -29.183
flat angles P-C4'-P energy: -14.512
tors. eta vs tors. theta energy: -41.111
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: 3
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -503.620642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.620642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.620642 (E_RNA)
where:
Base-Base interactions energy: -362.320
where: short stacking energy: -139.206
Base-Backbone interact. energy: -0.479
local terms energy: -140.821922
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -27.619
flat angles C4'-P-C4' energy: -28.997
flat angles P-C4'-P energy: -20.630
tors. eta vs tors. theta energy: -43.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -500.502160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.502160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.502160 (E_RNA)
where:
Base-Base interactions energy: -368.560
where: short stacking energy: -141.277
Base-Backbone interact. energy: 0.056
local terms energy: -131.998154
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -18.242
flat angles C4'-P-C4' energy: -28.477
flat angles P-C4'-P energy: -21.764
tors. eta vs tors. theta energy: -43.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -561.722370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.722370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.722370 (E_RNA)
where:
Base-Base interactions energy: -400.072
where: short stacking energy: -161.838
Base-Backbone interact. energy: -0.105
local terms energy: -161.544987
where:
bonds (distance) C4'-P energy: -27.810
bonds (distance) P-C4' energy: -27.139
flat angles C4'-P-C4' energy: -33.096
flat angles P-C4'-P energy: -24.423
tors. eta vs tors. theta energy: -49.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -554.169164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.169164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.169164 (E_RNA)
where:
Base-Base interactions energy: -397.946
where: short stacking energy: -154.043
Base-Backbone interact. energy: -0.280
local terms energy: -155.943366
where:
bonds (distance) C4'-P energy: -25.218
bonds (distance) P-C4' energy: -28.202
flat angles C4'-P-C4' energy: -28.822
flat angles P-C4'-P energy: -25.357
tors. eta vs tors. theta energy: -48.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -549.443599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.443599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.443599 (E_RNA)
where:
Base-Base interactions energy: -402.610
where: short stacking energy: -154.438
Base-Backbone interact. energy: -1.429
local terms energy: -145.404928
where:
bonds (distance) C4'-P energy: -25.840
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -24.634
flat angles P-C4'-P energy: -26.828
tors. eta vs tors. theta energy: -46.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -545.135569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.135569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.135569 (E_RNA)
where:
Base-Base interactions energy: -400.230
where: short stacking energy: -155.478
Base-Backbone interact. energy: -1.812
local terms energy: -143.093627
where:
bonds (distance) C4'-P energy: -23.278
bonds (distance) P-C4' energy: -22.289
flat angles C4'-P-C4' energy: -32.439
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -44.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -532.715864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.715864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.715864 (E_RNA)
where:
Base-Base interactions energy: -389.866
where: short stacking energy: -150.831
Base-Backbone interact. energy: -0.867
local terms energy: -141.983562
where:
bonds (distance) C4'-P energy: -23.259
bonds (distance) P-C4' energy: -24.774
flat angles C4'-P-C4' energy: -30.804
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -46.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -522.638289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.638289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.638289 (E_RNA)
where:
Base-Base interactions energy: -383.061
where: short stacking energy: -148.955
Base-Backbone interact. energy: -0.628
local terms energy: -138.949362
where:
bonds (distance) C4'-P energy: -27.298
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -26.044
flat angles P-C4'-P energy: -15.992
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: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -515.113244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.113244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.113244 (E_RNA)
where:
Base-Base interactions energy: -367.352
where: short stacking energy: -139.668
Base-Backbone interact. energy: -1.028
local terms energy: -146.732999
where:
bonds (distance) C4'-P energy: -26.299
bonds (distance) P-C4' energy: -25.478
flat angles C4'-P-C4' energy: -28.616
flat angles P-C4'-P energy: -21.850
tors. eta vs tors. theta energy: -44.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -518.777972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.777972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.777972 (E_RNA)
where:
Base-Base interactions energy: -384.348
where: short stacking energy: -148.762
Base-Backbone interact. energy: -1.771
local terms energy: -132.659758
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -26.509
flat angles P-C4'-P energy: -21.498
tors. eta vs tors. theta energy: -42.471
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: 9, replica: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -489.614519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.614519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.614519 (E_RNA)
where:
Base-Base interactions energy: -355.632
where: short stacking energy: -137.903
Base-Backbone interact. energy: -0.471
local terms energy: -133.510782
where:
bonds (distance) C4'-P energy: -26.919
bonds (distance) P-C4' energy: -23.987
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -19.887
tors. eta vs tors. theta energy: -42.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -515.204968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.204968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.204968 (E_RNA)
where:
Base-Base interactions energy: -378.794
where: short stacking energy: -148.822
Base-Backbone interact. energy: -0.421
local terms energy: -135.989847
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -20.557
flat angles C4'-P-C4' energy: -33.624
flat angles P-C4'-P energy: -22.382
tors. eta vs tors. theta energy: -42.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -570.675713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.675713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.675713 (E_RNA)
where:
Base-Base interactions energy: -409.702
where: short stacking energy: -163.499
Base-Backbone interact. energy: -0.017
local terms energy: -160.955931
where:
bonds (distance) C4'-P energy: -26.515
bonds (distance) P-C4' energy: -31.862
flat angles C4'-P-C4' energy: -29.802
flat angles P-C4'-P energy: -23.581
tors. eta vs tors. theta energy: -49.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -558.658569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.658569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.658569 (E_RNA)
where:
Base-Base interactions energy: -397.022
where: short stacking energy: -152.942
Base-Backbone interact. energy: -0.002
local terms energy: -161.635036
where:
bonds (distance) C4'-P energy: -28.456
bonds (distance) P-C4' energy: -29.853
flat angles C4'-P-C4' energy: -33.577
flat angles P-C4'-P energy: -22.408
tors. eta vs tors. theta energy: -47.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -549.517139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.517139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.517139 (E_RNA)
where:
Base-Base interactions energy: -392.258
where: short stacking energy: -153.510
Base-Backbone interact. energy: -0.704
local terms energy: -156.555704
where:
bonds (distance) C4'-P energy: -28.458
bonds (distance) P-C4' energy: -25.887
flat angles C4'-P-C4' energy: -29.467
flat angles P-C4'-P energy: -24.420
tors. eta vs tors. theta energy: -48.323
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: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -534.781806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.781806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.781806 (E_RNA)
where:
Base-Base interactions energy: -394.136
where: short stacking energy: -149.901
Base-Backbone interact. energy: -0.564
local terms energy: -140.081257
where:
bonds (distance) C4'-P energy: -25.351
bonds (distance) P-C4' energy: -23.711
flat angles C4'-P-C4' energy: -29.481
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -43.470
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: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -541.967510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.967510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.967510 (E_RNA)
where:
Base-Base interactions energy: -394.436
where: short stacking energy: -160.192
Base-Backbone interact. energy: -0.215
local terms energy: -147.316642
where:
bonds (distance) C4'-P energy: -25.367
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -32.312
flat angles P-C4'-P energy: -21.583
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: 6, replica: 9
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -523.109642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.109642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.109642 (E_RNA)
where:
Base-Base interactions energy: -388.076
where: short stacking energy: -148.072
Base-Backbone interact. energy: -0.131
local terms energy: -134.902322
where:
bonds (distance) C4'-P energy: -26.694
bonds (distance) P-C4' energy: -18.528
flat angles C4'-P-C4' energy: -26.775
flat angles P-C4'-P energy: -21.648
tors. eta vs tors. theta energy: -41.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -526.129630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.129630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.129630 (E_RNA)
where:
Base-Base interactions energy: -380.268
where: short stacking energy: -148.487
Base-Backbone interact. energy: -1.865
local terms energy: -143.996365
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -25.730
flat angles C4'-P-C4' energy: -29.898
flat angles P-C4'-P energy: -19.648
tors. eta vs tors. theta energy: -49.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -525.060756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.060756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.060756 (E_RNA)
where:
Base-Base interactions energy: -384.548
where: short stacking energy: -145.691
Base-Backbone interact. energy: -0.513
local terms energy: -140.000547
where:
bonds (distance) C4'-P energy: -23.749
bonds (distance) P-C4' energy: -21.744
flat angles C4'-P-C4' energy: -29.956
flat angles P-C4'-P energy: -18.899
tors. eta vs tors. theta energy: -45.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -506.013231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.013231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.013231 (E_RNA)
where:
Base-Base interactions energy: -362.099
where: short stacking energy: -133.936
Base-Backbone interact. energy: -0.092
local terms energy: -143.822072
where:
bonds (distance) C4'-P energy: -26.032
bonds (distance) P-C4' energy: -25.642
flat angles C4'-P-C4' energy: -29.734
flat angles P-C4'-P energy: -19.867
tors. eta vs tors. theta energy: -42.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -495.613692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.613692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.613692 (E_RNA)
where:
Base-Base interactions energy: -366.764
where: short stacking energy: -140.223
Base-Backbone interact. energy: -0.002
local terms energy: -128.847377
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -33.744
flat angles C4'-P-C4' energy: -23.939
flat angles P-C4'-P energy: -15.518
tors. eta vs tors. theta energy: -40.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -565.720894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.720894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.720894 (E_RNA)
where:
Base-Base interactions energy: -401.766
where: short stacking energy: -159.907
Base-Backbone interact. energy: -1.344
local terms energy: -162.611094
where:
bonds (distance) C4'-P energy: -31.666
bonds (distance) P-C4' energy: -25.697
flat angles C4'-P-C4' energy: -34.518
flat angles P-C4'-P energy: -23.450
tors. eta vs tors. theta energy: -47.280
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: 10
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -555.646038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.646038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.646038 (E_RNA)
where:
Base-Base interactions energy: -401.480
where: short stacking energy: -161.449
Base-Backbone interact. energy: -0.450
local terms energy: -153.716009
where:
bonds (distance) C4'-P energy: -26.512
bonds (distance) P-C4' energy: -24.630
flat angles C4'-P-C4' energy: -30.747
flat angles P-C4'-P energy: -24.649
tors. eta vs tors. theta energy: -47.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -546.937373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.937373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.937373 (E_RNA)
where:
Base-Base interactions energy: -393.734
where: short stacking energy: -155.367
Base-Backbone interact. energy: -2.259
local terms energy: -150.944419
where:
bonds (distance) C4'-P energy: -28.325
bonds (distance) P-C4' energy: -24.223
flat angles C4'-P-C4' energy: -28.175
flat angles P-C4'-P energy: -22.661
tors. eta vs tors. theta energy: -47.561
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: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -545.866174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.866174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.866174 (E_RNA)
where:
Base-Base interactions energy: -403.093
where: short stacking energy: -156.724
Base-Backbone interact. energy: -0.275
local terms energy: -142.498763
where:
bonds (distance) C4'-P energy: -25.633
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -30.134
flat angles P-C4'-P energy: -21.738
tors. eta vs tors. theta energy: -46.478
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: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -541.201538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.201538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.201538 (E_RNA)
where:
Base-Base interactions energy: -386.467
where: short stacking energy: -151.821
Base-Backbone interact. energy: -1.320
local terms energy: -153.414720
where:
bonds (distance) C4'-P energy: -28.540
bonds (distance) P-C4' energy: -30.138
flat angles C4'-P-C4' energy: -29.278
flat angles P-C4'-P energy: -18.169
tors. eta vs tors. theta energy: -47.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -534.067199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.067199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.067199 (E_RNA)
where:
Base-Base interactions energy: -389.221
where: short stacking energy: -158.629
Base-Backbone interact. energy: -0.002
local terms energy: -144.844300
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -25.482
flat angles C4'-P-C4' energy: -31.898
flat angles P-C4'-P energy: -20.684
tors. eta vs tors. theta energy: -46.767
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: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -524.673596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.673596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.673596 (E_RNA)
where:
Base-Base interactions energy: -376.904
where: short stacking energy: -152.172
Base-Backbone interact. energy: -0.738
local terms energy: -147.031312
where:
bonds (distance) C4'-P energy: -21.673
bonds (distance) P-C4' energy: -23.144
flat angles C4'-P-C4' energy: -28.411
flat angles P-C4'-P energy: -25.920
tors. eta vs tors. theta energy: -47.884
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: 245
Temperature: 1.250000
Total energy: -519.991254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.991254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.991254 (E_RNA)
where:
Base-Base interactions energy: -377.842
where: short stacking energy: -149.253
Base-Backbone interact. energy: -1.209
local terms energy: -140.940262
where:
bonds (distance) C4'-P energy: -25.248
bonds (distance) P-C4' energy: -28.707
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -21.314
tors. eta vs tors. theta energy: -43.985
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: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -508.347064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.347064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.347064 (E_RNA)
where:
Base-Base interactions energy: -377.427
where: short stacking energy: -144.566
Base-Backbone interact. energy: -0.517
local terms energy: -130.403100
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -22.982
flat angles C4'-P-C4' energy: -24.958
flat angles P-C4'-P energy: -18.604
tors. eta vs tors. theta energy: -46.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -493.763604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.763604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.763604 (E_RNA)
where:
Base-Base interactions energy: -363.593
where: short stacking energy: -137.917
Base-Backbone interact. energy: -0.026
local terms energy: -130.144508
where:
bonds (distance) C4'-P energy: -26.596
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -28.907
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -39.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -558.164228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.164228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.164228 (E_RNA)
where:
Base-Base interactions energy: -400.130
where: short stacking energy: -151.100
Base-Backbone interact. energy: -0.495
local terms energy: -157.538716
where:
bonds (distance) C4'-P energy: -22.598
bonds (distance) P-C4' energy: -32.210
flat angles C4'-P-C4' energy: -33.424
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -47.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -557.490760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.490760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.490760 (E_RNA)
where:
Base-Base interactions energy: -396.883
where: short stacking energy: -156.469
Base-Backbone interact. energy: -1.512
local terms energy: -159.095608
where:
bonds (distance) C4'-P energy: -30.564
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -30.579
flat angles P-C4'-P energy: -25.937
tors. eta vs tors. theta energy: -43.740
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: 5
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -538.614168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.614168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.614168 (E_RNA)
where:
Base-Base interactions energy: -397.110
where: short stacking energy: -153.388
Base-Backbone interact. energy: 0.042
local terms energy: -141.546265
where:
bonds (distance) C4'-P energy: -23.380
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -28.142
flat angles P-C4'-P energy: -24.040
tors. eta vs tors. theta energy: -45.567
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: 6
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -535.136163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.136163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.136163 (E_RNA)
where:
Base-Base interactions energy: -395.723
where: short stacking energy: -155.181
Base-Backbone interact. energy: -0.105
local terms energy: -139.307964
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -23.333
flat angles C4'-P-C4' energy: -27.973
flat angles P-C4'-P energy: -22.675
tors. eta vs tors. theta energy: -46.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -538.460241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.460241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.460241 (E_RNA)
where:
Base-Base interactions energy: -392.720
where: short stacking energy: -156.504
Base-Backbone interact. energy: -0.521
local terms energy: -145.219104
where:
bonds (distance) C4'-P energy: -23.185
bonds (distance) P-C4' energy: -30.095
flat angles C4'-P-C4' energy: -26.334
flat angles P-C4'-P energy: -19.261
tors. eta vs tors. theta energy: -46.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -544.651153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.651153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.651153 (E_RNA)
where:
Base-Base interactions energy: -396.796
where: short stacking energy: -154.735
Base-Backbone interact. energy: -0.712
local terms energy: -147.143839
where:
bonds (distance) C4'-P energy: -23.398
bonds (distance) P-C4' energy: -23.468
flat angles C4'-P-C4' energy: -28.931
flat angles P-C4'-P energy: -25.869
tors. eta vs tors. theta energy: -45.478
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: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -540.107919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.107919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.107919 (E_RNA)
where:
Base-Base interactions energy: -385.353
where: short stacking energy: -154.507
Base-Backbone interact. energy: -1.217
local terms energy: -153.537436
where:
bonds (distance) C4'-P energy: -25.091
bonds (distance) P-C4' energy: -22.314
flat angles C4'-P-C4' energy: -32.787
flat angles P-C4'-P energy: -25.630
tors. eta vs tors. theta energy: -47.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -519.254679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.254679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.254679 (E_RNA)
where:
Base-Base interactions energy: -379.018
where: short stacking energy: -145.187
Base-Backbone interact. energy: -0.171
local terms energy: -140.065954
where:
bonds (distance) C4'-P energy: -25.375
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -30.543
flat angles P-C4'-P energy: -17.507
tors. eta vs tors. theta energy: -46.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -506.780507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.780507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.780507 (E_RNA)
where:
Base-Base interactions energy: -374.227
where: short stacking energy: -145.376
Base-Backbone interact. energy: -0.005
local terms energy: -132.548872
where:
bonds (distance) C4'-P energy: -28.101
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -25.021
flat angles P-C4'-P energy: -16.186
tors. eta vs tors. theta energy: -44.829
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: 3
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -503.902616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.902616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.902616 (E_RNA)
where:
Base-Base interactions energy: -371.903
where: short stacking energy: -142.980
Base-Backbone interact. energy: -0.101
local terms energy: -131.898232
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -28.298
flat angles C4'-P-C4' energy: -27.131
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -44.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -563.263487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.263487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.263487 (E_RNA)
where:
Base-Base interactions energy: -403.248
where: short stacking energy: -153.437
Base-Backbone interact. energy: -1.167
local terms energy: -158.849061
where:
bonds (distance) C4'-P energy: -27.430
bonds (distance) P-C4' energy: -31.140
flat angles C4'-P-C4' energy: -31.385
flat angles P-C4'-P energy: -21.357
tors. eta vs tors. theta energy: -47.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -557.796462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.796462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.796462 (E_RNA)
where:
Base-Base interactions energy: -403.413
where: short stacking energy: -156.803
Base-Backbone interact. energy: -1.032
local terms energy: -153.351418
where:
bonds (distance) C4'-P energy: -28.324
bonds (distance) P-C4' energy: -23.256
flat angles C4'-P-C4' energy: -31.403
flat angles P-C4'-P energy: -23.302
tors. eta vs tors. theta energy: -47.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -546.578780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.578780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.578780 (E_RNA)
where:
Base-Base interactions energy: -399.339
where: short stacking energy: -149.316
Base-Backbone interact. energy: -0.010
local terms energy: -147.229646
where:
bonds (distance) C4'-P energy: -28.630
bonds (distance) P-C4' energy: -24.035
flat angles C4'-P-C4' energy: -31.992
flat angles P-C4'-P energy: -17.801
tors. eta vs tors. theta energy: -44.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -554.860691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.860691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.860691 (E_RNA)
where:
Base-Base interactions energy: -398.668
where: short stacking energy: -161.380
Base-Backbone interact. energy: -0.002
local terms energy: -156.191007
where:
bonds (distance) C4'-P energy: -26.022
bonds (distance) P-C4' energy: -25.093
flat angles C4'-P-C4' energy: -31.488
flat angles P-C4'-P energy: -24.769
tors. eta vs tors. theta energy: -48.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -527.098817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.098817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.098817 (E_RNA)
where:
Base-Base interactions energy: -378.165
where: short stacking energy: -143.177
Base-Backbone interact. energy: -0.241
local terms energy: -148.692729
where:
bonds (distance) C4'-P energy: -24.367
bonds (distance) P-C4' energy: -28.836
flat angles C4'-P-C4' energy: -26.686
flat angles P-C4'-P energy: -21.841
tors. eta vs tors. theta energy: -46.963
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: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -538.662624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.662624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.662624 (E_RNA)
where:
Base-Base interactions energy: -396.696
where: short stacking energy: -154.482
Base-Backbone interact. energy: -0.000
local terms energy: -141.966096
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -32.853
flat angles P-C4'-P energy: -20.951
tors. eta vs tors. theta energy: -47.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -507.721084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.721084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.721084 (E_RNA)
where:
Base-Base interactions energy: -365.255
where: short stacking energy: -139.261
Base-Backbone interact. energy: -0.012
local terms energy: -142.453469
where:
bonds (distance) C4'-P energy: -28.842
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -31.084
flat angles P-C4'-P energy: -17.406
tors. eta vs tors. theta energy: -41.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -512.755910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.755910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.755910 (E_RNA)
where:
Base-Base interactions energy: -375.083
where: short stacking energy: -144.669
Base-Backbone interact. energy: -1.864
local terms energy: -135.808965
where:
bonds (distance) C4'-P energy: -26.151
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -26.350
flat angles P-C4'-P energy: -17.355
tors. eta vs tors. theta energy: -43.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -514.960881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.960881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.960881 (E_RNA)
where:
Base-Base interactions energy: -377.163
where: short stacking energy: -138.409
Base-Backbone interact. energy: -0.426
local terms energy: -137.371905
where:
bonds (distance) C4'-P energy: -24.314
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -28.317
flat angles P-C4'-P energy: -22.223
tors. eta vs tors. theta energy: -42.610
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: 10, replica: 3
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -503.536844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.536844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.536844 (E_RNA)
where:
Base-Base interactions energy: -372.522
where: short stacking energy: -144.224
Base-Backbone interact. energy: -0.800
local terms energy: -130.215043
where:
bonds (distance) C4'-P energy: -22.995
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -25.664
flat angles P-C4'-P energy: -18.683
tors. eta vs tors. theta energy: -43.726
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: 248
Temperature: 0.900000
Total energy: -561.114523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.114523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.114523 (E_RNA)
where:
Base-Base interactions energy: -409.827
where: short stacking energy: -156.909
Base-Backbone interact. energy: -0.001
local terms energy: -151.286305
where:
bonds (distance) C4'-P energy: -22.015
bonds (distance) P-C4' energy: -29.221
flat angles C4'-P-C4' energy: -31.211
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: -47.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -563.121102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.121102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.121102 (E_RNA)
where:
Base-Base interactions energy: -402.334
where: short stacking energy: -156.653
Base-Backbone interact. energy: -0.611
local terms energy: -160.176180
where:
bonds (distance) C4'-P energy: -34.649
bonds (distance) P-C4' energy: -26.150
flat angles C4'-P-C4' energy: -31.337
flat angles P-C4'-P energy: -22.691
tors. eta vs tors. theta energy: -45.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -547.603760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.603760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.603760 (E_RNA)
where:
Base-Base interactions energy: -388.073
where: short stacking energy: -152.071
Base-Backbone interact. energy: -0.061
local terms energy: -159.469873
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -26.550
flat angles C4'-P-C4' energy: -33.617
flat angles P-C4'-P energy: -25.953
tors. eta vs tors. theta energy: -47.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -546.623220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.623220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.623220 (E_RNA)
where:
Base-Base interactions energy: -399.553
where: short stacking energy: -155.173
Base-Backbone interact. energy: -1.516
local terms energy: -145.554138
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -27.434
flat angles C4'-P-C4' energy: -29.490
flat angles P-C4'-P energy: -23.188
tors. eta vs tors. theta energy: -45.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -535.065824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.065824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.065824 (E_RNA)
where:
Base-Base interactions energy: -386.956
where: short stacking energy: -149.833
Base-Backbone interact. energy: -0.292
local terms energy: -147.817909
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -31.080
flat angles C4'-P-C4' energy: -30.467
flat angles P-C4'-P energy: -19.686
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: 6, replica: 4
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -524.787266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.787266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.787266 (E_RNA)
where:
Base-Base interactions energy: -382.030
where: short stacking energy: -158.366
Base-Backbone interact. energy: -0.693
local terms energy: -142.064571
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -26.622
flat angles P-C4'-P energy: -22.234
tors. eta vs tors. theta energy: -46.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -524.060867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.060867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.060867 (E_RNA)
where:
Base-Base interactions energy: -374.043
where: short stacking energy: -142.526
Base-Backbone interact. energy: -1.419
local terms energy: -148.598291
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -25.910
flat angles C4'-P-C4' energy: -30.647
flat angles P-C4'-P energy: -24.474
tors. eta vs tors. theta energy: -45.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -494.341597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.341597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.341597 (E_RNA)
where:
Base-Base interactions energy: -352.629
where: short stacking energy: -138.792
Base-Backbone interact. energy: -0.107
local terms energy: -141.606233
where:
bonds (distance) C4'-P energy: -25.100
bonds (distance) P-C4' energy: -27.299
flat angles C4'-P-C4' energy: -31.022
flat angles P-C4'-P energy: -16.453
tors. eta vs tors. theta energy: -41.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -507.391760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.391760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.391760 (E_RNA)
where:
Base-Base interactions energy: -380.830
where: short stacking energy: -149.120
Base-Backbone interact. energy: -0.006
local terms energy: -126.555929
where:
bonds (distance) C4'-P energy: -26.134
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -16.017
tors. eta vs tors. theta energy: -44.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -477.564600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.564600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.564600 (E_RNA)
where:
Base-Base interactions energy: -342.548
where: short stacking energy: -134.476
Base-Backbone interact. energy: 0.232
local terms energy: -135.248913
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -28.130
flat angles P-C4'-P energy: -19.686
tors. eta vs tors. theta energy: -44.908
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: 249
Temperature: 0.900000
Total energy: -561.821713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.821713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.821713 (E_RNA)
where:
Base-Base interactions energy: -404.336
where: short stacking energy: -158.383
Base-Backbone interact. energy: -0.815
local terms energy: -156.670493
where:
bonds (distance) C4'-P energy: -26.298
bonds (distance) P-C4' energy: -31.773
flat angles C4'-P-C4' energy: -27.559
flat angles P-C4'-P energy: -25.247
tors. eta vs tors. theta energy: -45.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -562.194466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.194466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.194466 (E_RNA)
where:
Base-Base interactions energy: -401.018
where: short stacking energy: -162.795
Base-Backbone interact. energy: -0.351
local terms energy: -160.825255
where:
bonds (distance) C4'-P energy: -29.044
bonds (distance) P-C4' energy: -28.714
flat angles C4'-P-C4' energy: -31.643
flat angles P-C4'-P energy: -23.527
tors. eta vs tors. theta energy: -47.897
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: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -542.008155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.008155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.008155 (E_RNA)
where:
Base-Base interactions energy: -384.500
where: short stacking energy: -149.025
Base-Backbone interact. energy: -0.613
local terms energy: -156.894875
where:
bonds (distance) C4'-P energy: -25.665
bonds (distance) P-C4' energy: -30.379
flat angles C4'-P-C4' energy: -30.662
flat angles P-C4'-P energy: -24.805
tors. eta vs tors. theta energy: -45.384
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: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -543.933072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.933072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.933072 (E_RNA)
where:
Base-Base interactions energy: -395.181
where: short stacking energy: -154.848
Base-Backbone interact. energy: -0.915
local terms energy: -147.837050
where:
bonds (distance) C4'-P energy: -23.325
bonds (distance) P-C4' energy: -29.294
flat angles C4'-P-C4' energy: -30.233
flat angles P-C4'-P energy: -18.115
tors. eta vs tors. theta energy: -46.869
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: 7
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -548.497580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.497580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.497580 (E_RNA)
where:
Base-Base interactions energy: -387.506
where: short stacking energy: -145.434
Base-Backbone interact. energy: -1.274
local terms energy: -159.716916
where:
bonds (distance) C4'-P energy: -28.936
bonds (distance) P-C4' energy: -28.977
flat angles C4'-P-C4' energy: -30.457
flat angles P-C4'-P energy: -24.389
tors. eta vs tors. theta energy: -46.957
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: 4
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -525.025979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.025979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.025979 (E_RNA)
where:
Base-Base interactions energy: -382.446
where: short stacking energy: -148.477
Base-Backbone interact. energy: -0.301
local terms energy: -142.279247
where:
bonds (distance) C4'-P energy: -22.856
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -31.424
flat angles P-C4'-P energy: -21.917
tors. eta vs tors. theta energy: -43.192
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: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -518.141775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.141775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.141775 (E_RNA)
where:
Base-Base interactions energy: -379.808
where: short stacking energy: -151.928
Base-Backbone interact. energy: -0.023
local terms energy: -138.311173
where:
bonds (distance) C4'-P energy: -21.849
bonds (distance) P-C4' energy: -24.553
flat angles C4'-P-C4' energy: -26.252
flat angles P-C4'-P energy: -20.150
tors. eta vs tors. theta energy: -45.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -507.005082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.005082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.005082 (E_RNA)
where:
Base-Base interactions energy: -362.768
where: short stacking energy: -139.719
Base-Backbone interact. energy: -0.001
local terms energy: -144.236577
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -28.151
flat angles C4'-P-C4' energy: -31.167
flat angles P-C4'-P energy: -18.485
tors. eta vs tors. theta energy: -44.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -505.355965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.355965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.355965 (E_RNA)
where:
Base-Base interactions energy: -371.597
where: short stacking energy: -145.392
Base-Backbone interact. energy: -0.016
local terms energy: -133.743181
where:
bonds (distance) C4'-P energy: -25.330
bonds (distance) P-C4' energy: -25.125
flat angles C4'-P-C4' energy: -25.862
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -45.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -485.511888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.511888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.511888 (E_RNA)
where:
Base-Base interactions energy: -355.805
where: short stacking energy: -138.308
Base-Backbone interact. energy: -0.002
local terms energy: -129.705119
where:
bonds (distance) C4'-P energy: -27.296
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -27.917
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -44.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -558.541767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.541767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.541767 (E_RNA)
where:
Base-Base interactions energy: -407.105
where: short stacking energy: -164.379
Base-Backbone interact. energy: -0.003
local terms energy: -151.434128
where:
bonds (distance) C4'-P energy: -29.764
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -31.382
flat angles P-C4'-P energy: -20.465
tors. eta vs tors. theta energy: -47.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -554.954537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.954537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.954537 (E_RNA)
where:
Base-Base interactions energy: -406.042
where: short stacking energy: -158.949
Base-Backbone interact. energy: -0.262
local terms energy: -148.650665
where:
bonds (distance) C4'-P energy: -24.250
bonds (distance) P-C4' energy: -26.930
flat angles C4'-P-C4' energy: -31.756
flat angles P-C4'-P energy: -20.688
tors. eta vs tors. theta energy: -45.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -548.514559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.514559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.514559 (E_RNA)
where:
Base-Base interactions energy: -390.029
where: short stacking energy: -152.521
Base-Backbone interact. energy: -1.872
local terms energy: -156.613726
where:
bonds (distance) C4'-P energy: -29.421
bonds (distance) P-C4' energy: -26.417
flat angles C4'-P-C4' energy: -32.068
flat angles P-C4'-P energy: -20.233
tors. eta vs tors. theta energy: -48.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -552.628961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.628961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.628961 (E_RNA)
where:
Base-Base interactions energy: -397.847
where: short stacking energy: -162.296
Base-Backbone interact. energy: -0.005
local terms energy: -154.776831
where:
bonds (distance) C4'-P energy: -26.469
bonds (distance) P-C4' energy: -29.555
flat angles C4'-P-C4' energy: -32.792
flat angles P-C4'-P energy: -20.877
tors. eta vs tors. theta energy: -45.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -541.625515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.625515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.625515 (E_RNA)
where:
Base-Base interactions energy: -393.798
where: short stacking energy: -156.392
Base-Backbone interact. energy: -1.485
local terms energy: -146.342321
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -24.412
flat angles C4'-P-C4' energy: -31.310
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -46.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -524.647693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.647693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.647693 (E_RNA)
where:
Base-Base interactions energy: -384.991
where: short stacking energy: -153.950
Base-Backbone interact. energy: -0.750
local terms energy: -138.906858
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -22.706
flat angles C4'-P-C4' energy: -31.547
flat angles P-C4'-P energy: -20.332
tors. eta vs tors. theta energy: -46.049
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: 1
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -512.849640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.849640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.849640 (E_RNA)
where:
Base-Base interactions energy: -377.852
where: short stacking energy: -143.296
Base-Backbone interact. energy: -0.613
local terms energy: -134.384504
where:
bonds (distance) C4'-P energy: -22.216
bonds (distance) P-C4' energy: -28.669
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -21.354
tors. eta vs tors. theta energy: -38.383
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: 3
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -513.716837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.716837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.716837 (E_RNA)
where:
Base-Base interactions energy: -380.583
where: short stacking energy: -148.623
Base-Backbone interact. energy: -0.973
local terms energy: -132.160415
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -26.236
flat angles P-C4'-P energy: -19.143
tors. eta vs tors. theta energy: -48.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -505.173463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.173463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.173463 (E_RNA)
where:
Base-Base interactions energy: -367.613
where: short stacking energy: -142.226
Base-Backbone interact. energy: -0.723
local terms energy: -136.837813
where:
bonds (distance) C4'-P energy: -26.468
bonds (distance) P-C4' energy: -24.987
flat angles C4'-P-C4' energy: -26.827
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -43.294
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: 250
Temperature: 1.350000
Total energy: -490.868758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.868758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.868758 (E_RNA)
where:
Base-Base interactions energy: -367.744
where: short stacking energy: -135.490
Base-Backbone interact. energy: -1.494
local terms energy: -121.630554
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -23.588
flat angles C4'-P-C4' energy: -28.295
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -37.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -570.046778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.046778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.046778 (E_RNA)
where:
Base-Base interactions energy: -404.523
where: short stacking energy: -156.577
Base-Backbone interact. energy: -1.112
local terms energy: -164.411979
where:
bonds (distance) C4'-P energy: -26.937
bonds (distance) P-C4' energy: -30.601
flat angles C4'-P-C4' energy: -34.864
flat angles P-C4'-P energy: -22.664
tors. eta vs tors. theta energy: -49.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -553.192699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.192699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.192699 (E_RNA)
where:
Base-Base interactions energy: -393.585
where: short stacking energy: -152.246
Base-Backbone interact. energy: -1.610
local terms energy: -157.997532
where:
bonds (distance) C4'-P energy: -26.691
bonds (distance) P-C4' energy: -28.731
flat angles C4'-P-C4' energy: -30.308
flat angles P-C4'-P energy: -25.012
tors. eta vs tors. theta energy: -47.256
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: 251
Temperature: 1.000000
Total energy: -547.582249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.582249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.582249 (E_RNA)
where:
Base-Base interactions energy: -395.486
where: short stacking energy: -156.010
Base-Backbone interact. energy: -0.561
local terms energy: -151.535929
where:
bonds (distance) C4'-P energy: -24.278
bonds (distance) P-C4' energy: -28.865
flat angles C4'-P-C4' energy: -28.592
flat angles P-C4'-P energy: -23.844
tors. eta vs tors. theta energy: -45.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -540.172946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.172946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.172946 (E_RNA)
where:
Base-Base interactions energy: -383.481
where: short stacking energy: -152.327
Base-Backbone interact. energy: -1.455
local terms energy: -155.237031
where:
bonds (distance) C4'-P energy: -28.725
bonds (distance) P-C4' energy: -29.623
flat angles C4'-P-C4' energy: -28.523
flat angles P-C4'-P energy: -22.146
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: 5, replica: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -543.072389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.072389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.072389 (E_RNA)
where:
Base-Base interactions energy: -392.335
where: short stacking energy: -151.302
Base-Backbone interact. energy: -1.202
local terms energy: -149.535953
where:
bonds (distance) C4'-P energy: -21.896
bonds (distance) P-C4' energy: -27.816
flat angles C4'-P-C4' energy: -29.340
flat angles P-C4'-P energy: -22.735
tors. eta vs tors. theta energy: -47.748
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: 251
Temperature: 1.150000
Total energy: -534.124727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.124727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.124727 (E_RNA)
where:
Base-Base interactions energy: -380.611
where: short stacking energy: -149.326
Base-Backbone interact. energy: -0.538
local terms energy: -152.976311
where:
bonds (distance) C4'-P energy: -22.396
bonds (distance) P-C4' energy: -29.710
flat angles C4'-P-C4' energy: -31.052
flat angles P-C4'-P energy: -23.527
tors. eta vs tors. theta energy: -46.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -522.286248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.286248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.286248 (E_RNA)
where:
Base-Base interactions energy: -387.425
where: short stacking energy: -154.063
Base-Backbone interact. energy: -0.476
local terms energy: -134.384624
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -25.666
flat angles C4'-P-C4' energy: -26.398
flat angles P-C4'-P energy: -21.758
tors. eta vs tors. theta energy: -45.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -499.753345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.753345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.753345 (E_RNA)
where:
Base-Base interactions energy: -366.155
where: short stacking energy: -136.113
Base-Backbone interact. energy: -1.046
local terms energy: -132.552675
where:
bonds (distance) C4'-P energy: -22.981
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -27.805
flat angles P-C4'-P energy: -20.076
tors. eta vs tors. theta energy: -40.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -501.469472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.469472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.469472 (E_RNA)
where:
Base-Base interactions energy: -367.301
where: short stacking energy: -137.175
Base-Backbone interact. energy: -0.136
local terms energy: -134.032530
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -20.259
flat angles C4'-P-C4' energy: -28.340
flat angles P-C4'-P energy: -18.447
tors. eta vs tors. theta energy: -44.925
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: 251
Temperature: 1.350000
Total energy: -493.380199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.380199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.380199 (E_RNA)
where:
Base-Base interactions energy: -355.737
where: short stacking energy: -138.688
Base-Backbone interact. energy: -0.290
local terms energy: -137.352699
where:
bonds (distance) C4'-P energy: -26.269
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -27.712
flat angles P-C4'-P energy: -22.093
tors. eta vs tors. theta energy: -41.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -570.643362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.643362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.643362 (E_RNA)
where:
Base-Base interactions energy: -416.378
where: short stacking energy: -159.982
Base-Backbone interact. energy: -0.319
local terms energy: -153.946300
where:
bonds (distance) C4'-P energy: -27.342
bonds (distance) P-C4' energy: -26.191
flat angles C4'-P-C4' energy: -30.790
flat angles P-C4'-P energy: -23.509
tors. eta vs tors. theta energy: -46.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -555.342610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.342610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.342610 (E_RNA)
where:
Base-Base interactions energy: -400.399
where: short stacking energy: -154.648
Base-Backbone interact. energy: -1.571
local terms energy: -153.372795
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -30.450
flat angles C4'-P-C4' energy: -30.169
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -47.732
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: 3, replica: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -563.681303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.681303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.681303 (E_RNA)
where:
Base-Base interactions energy: -413.061
where: short stacking energy: -167.368
Base-Backbone interact. energy: -0.147
local terms energy: -150.473474
where:
bonds (distance) C4'-P energy: -23.744
bonds (distance) P-C4' energy: -26.611
flat angles C4'-P-C4' energy: -31.927
flat angles P-C4'-P energy: -20.077
tors. eta vs tors. theta energy: -48.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -541.623752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.623752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.623752 (E_RNA)
where:
Base-Base interactions energy: -395.972
where: short stacking energy: -154.349
Base-Backbone interact. energy: -1.892
local terms energy: -143.759351
where:
bonds (distance) C4'-P energy: -26.367
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -31.827
flat angles P-C4'-P energy: -21.006
tors. eta vs tors. theta energy: -47.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -530.105851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.105851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.105851 (E_RNA)
where:
Base-Base interactions energy: -383.846
where: short stacking energy: -149.216
Base-Backbone interact. energy: -1.267
local terms energy: -144.993678
where:
bonds (distance) C4'-P energy: -26.320
bonds (distance) P-C4' energy: -26.317
flat angles C4'-P-C4' energy: -29.080
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -44.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -523.685301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.685301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.685301 (E_RNA)
where:
Base-Base interactions energy: -383.372
where: short stacking energy: -148.505
Base-Backbone interact. energy: -0.004
local terms energy: -140.309767
where:
bonds (distance) C4'-P energy: -23.831
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -33.636
flat angles P-C4'-P energy: -19.519
tors. eta vs tors. theta energy: -47.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -522.098168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.098168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.098168 (E_RNA)
where:
Base-Base interactions energy: -375.782
where: short stacking energy: -144.103
Base-Backbone interact. energy: -0.055
local terms energy: -146.260904
where:
bonds (distance) C4'-P energy: -24.069
bonds (distance) P-C4' energy: -30.895
flat angles C4'-P-C4' energy: -29.650
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -44.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -508.005571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.005571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.005571 (E_RNA)
where:
Base-Base interactions energy: -373.398
where: short stacking energy: -141.569
Base-Backbone interact. energy: 0.350
local terms energy: -134.958111
where:
bonds (distance) C4'-P energy: -25.358
bonds (distance) P-C4' energy: -23.441
flat angles C4'-P-C4' energy: -31.090
flat angles P-C4'-P energy: -16.013
tors. eta vs tors. theta energy: -39.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -503.047669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.047669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.047669 (E_RNA)
where:
Base-Base interactions energy: -366.874
where: short stacking energy: -139.698
Base-Backbone interact. energy: -0.281
local terms energy: -135.892737
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -25.018
flat angles C4'-P-C4' energy: -29.564
flat angles P-C4'-P energy: -22.356
tors. eta vs tors. theta energy: -41.312
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: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -504.033878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.033878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.033878 (E_RNA)
where:
Base-Base interactions energy: -368.173
where: short stacking energy: -140.591
Base-Backbone interact. energy: 0.238
local terms energy: -136.098979
where:
bonds (distance) C4'-P energy: -22.655
bonds (distance) P-C4' energy: -24.654
flat angles C4'-P-C4' energy: -26.501
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -46.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -560.685008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.685008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.685008 (E_RNA)
where:
Base-Base interactions energy: -409.243
where: short stacking energy: -161.467
Base-Backbone interact. energy: -0.555
local terms energy: -150.886946
where:
bonds (distance) C4'-P energy: -27.029
bonds (distance) P-C4' energy: -26.038
flat angles C4'-P-C4' energy: -27.371
flat angles P-C4'-P energy: -22.872
tors. eta vs tors. theta energy: -47.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -556.430499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.430499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.430499 (E_RNA)
where:
Base-Base interactions energy: -404.056
where: short stacking energy: -160.572
Base-Backbone interact. energy: 0.182
local terms energy: -152.556772
where:
bonds (distance) C4'-P energy: -25.903
bonds (distance) P-C4' energy: -27.290
flat angles C4'-P-C4' energy: -31.581
flat angles P-C4'-P energy: -23.378
tors. eta vs tors. theta energy: -44.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -547.798983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.798983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.798983 (E_RNA)
where:
Base-Base interactions energy: -399.811
where: short stacking energy: -154.761
Base-Backbone interact. energy: -0.264
local terms energy: -147.724692
where:
bonds (distance) C4'-P energy: -25.459
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -29.312
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -46.995
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: 4, replica: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -552.379550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.379550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.379550 (E_RNA)
where:
Base-Base interactions energy: -404.271
where: short stacking energy: -160.349
Base-Backbone interact. energy: -0.165
local terms energy: -147.943545
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -25.941
flat angles C4'-P-C4' energy: -28.661
flat angles P-C4'-P energy: -23.059
tors. eta vs tors. theta energy: -48.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -547.764375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.764375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.764375 (E_RNA)
where:
Base-Base interactions energy: -390.920
where: short stacking energy: -157.150
Base-Backbone interact. energy: -0.709
local terms energy: -156.134598
where:
bonds (distance) C4'-P energy: -29.884
bonds (distance) P-C4' energy: -23.281
flat angles C4'-P-C4' energy: -31.476
flat angles P-C4'-P energy: -25.164
tors. eta vs tors. theta energy: -46.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -512.851097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.851097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.851097 (E_RNA)
where:
Base-Base interactions energy: -382.045
where: short stacking energy: -152.016
Base-Backbone interact. energy: -1.037
local terms energy: -129.769279
where:
bonds (distance) C4'-P energy: -20.673
bonds (distance) P-C4' energy: -22.695
flat angles C4'-P-C4' energy: -27.317
flat angles P-C4'-P energy: -15.687
tors. eta vs tors. theta energy: -43.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -530.706146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.706146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.706146 (E_RNA)
where:
Base-Base interactions energy: -384.948
where: short stacking energy: -153.274
Base-Backbone interact. energy: -0.363
local terms energy: -145.394921
where:
bonds (distance) C4'-P energy: -26.077
bonds (distance) P-C4' energy: -21.019
flat angles C4'-P-C4' energy: -30.302
flat angles P-C4'-P energy: -22.682
tors. eta vs tors. theta energy: -45.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -507.704682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.704682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.704682 (E_RNA)
where:
Base-Base interactions energy: -370.197
where: short stacking energy: -139.593
Base-Backbone interact. energy: -0.248
local terms energy: -137.259631
where:
bonds (distance) C4'-P energy: -27.909
bonds (distance) P-C4' energy: -27.595
flat angles C4'-P-C4' energy: -25.144
flat angles P-C4'-P energy: -16.146
tors. eta vs tors. theta energy: -40.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -506.350141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.350141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.350141 (E_RNA)
where:
Base-Base interactions energy: -363.700
where: short stacking energy: -139.386
Base-Backbone interact. energy: -1.827
local terms energy: -140.823140
where:
bonds (distance) C4'-P energy: -26.982
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -28.638
flat angles P-C4'-P energy: -17.554
tors. eta vs tors. theta energy: -45.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -500.880500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.880500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.880500 (E_RNA)
where:
Base-Base interactions energy: -359.089
where: short stacking energy: -133.691
Base-Backbone interact. energy: -0.002
local terms energy: -141.789291
where:
bonds (distance) C4'-P energy: -24.950
bonds (distance) P-C4' energy: -26.147
flat angles C4'-P-C4' energy: -28.872
flat angles P-C4'-P energy: -17.602
tors. eta vs tors. theta energy: -44.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -558.665458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.665458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.665458 (E_RNA)
where:
Base-Base interactions energy: -400.595
where: short stacking energy: -156.724
Base-Backbone interact. energy: -1.233
local terms energy: -156.838080
where:
bonds (distance) C4'-P energy: -27.028
bonds (distance) P-C4' energy: -24.806
flat angles C4'-P-C4' energy: -32.526
flat angles P-C4'-P energy: -25.006
tors. eta vs tors. theta energy: -47.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -552.628344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.628344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.628344 (E_RNA)
where:
Base-Base interactions energy: -398.205
where: short stacking energy: -156.763
Base-Backbone interact. energy: -0.048
local terms energy: -154.375217
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -26.604
flat angles C4'-P-C4' energy: -32.024
flat angles P-C4'-P energy: -25.193
tors. eta vs tors. theta energy: -46.609
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: 3, replica: 6
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -546.857706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.857706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.857706 (E_RNA)
where:
Base-Base interactions energy: -395.695
where: short stacking energy: -157.945
Base-Backbone interact. energy: -0.258
local terms energy: -150.904577
where:
bonds (distance) C4'-P energy: -23.468
bonds (distance) P-C4' energy: -28.016
flat angles C4'-P-C4' energy: -30.340
flat angles P-C4'-P energy: -22.953
tors. eta vs tors. theta energy: -46.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -544.071944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.071944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.071944 (E_RNA)
where:
Base-Base interactions energy: -401.575
where: short stacking energy: -155.664
Base-Backbone interact. energy: -0.836
local terms energy: -141.660543
where:
bonds (distance) C4'-P energy: -22.945
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -25.701
flat angles P-C4'-P energy: -22.270
tors. eta vs tors. theta energy: -46.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -535.818941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.818941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.818941 (E_RNA)
where:
Base-Base interactions energy: -377.513
where: short stacking energy: -146.640
Base-Backbone interact. energy: -2.538
local terms energy: -155.767724
where:
bonds (distance) C4'-P energy: -28.138
bonds (distance) P-C4' energy: -28.057
flat angles C4'-P-C4' energy: -30.062
flat angles P-C4'-P energy: -21.718
tors. eta vs tors. theta energy: -47.793
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: 254
Temperature: 1.150000
Total energy: -517.946268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.946268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.946268 (E_RNA)
where:
Base-Base interactions energy: -397.222
where: short stacking energy: -152.332
Base-Backbone interact. energy: -0.591
local terms energy: -120.132841
where:
bonds (distance) C4'-P energy: -23.597
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -43.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -521.754623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.754623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.754623 (E_RNA)
where:
Base-Base interactions energy: -387.192
where: short stacking energy: -151.857
Base-Backbone interact. energy: -0.063
local terms energy: -134.499985
where:
bonds (distance) C4'-P energy: -20.681
bonds (distance) P-C4' energy: -25.802
flat angles C4'-P-C4' energy: -29.230
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -44.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -520.465145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.465145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.465145 (E_RNA)
where:
Base-Base interactions energy: -375.903
where: short stacking energy: -141.782
Base-Backbone interact. energy: -1.597
local terms energy: -142.964610
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -26.233
flat angles C4'-P-C4' energy: -26.923
flat angles P-C4'-P energy: -22.441
tors. eta vs tors. theta energy: -46.357
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: 3
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -517.423812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.423812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.423812 (E_RNA)
where:
Base-Base interactions energy: -370.267
where: short stacking energy: -141.659
Base-Backbone interact. energy: -1.633
local terms energy: -145.524411
where:
bonds (distance) C4'-P energy: -24.767
bonds (distance) P-C4' energy: -23.641
flat angles C4'-P-C4' energy: -29.192
flat angles P-C4'-P energy: -20.735
tors. eta vs tors. theta energy: -47.190
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: 2
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -493.022521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.022521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.022521 (E_RNA)
where:
Base-Base interactions energy: -370.925
where: short stacking energy: -144.471
Base-Backbone interact. energy: 0.094
local terms energy: -122.191277
where:
bonds (distance) C4'-P energy: -18.735
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -18.058
tors. eta vs tors. theta energy: -39.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -560.443952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.443952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.443952 (E_RNA)
where:
Base-Base interactions energy: -402.942
where: short stacking energy: -160.814
Base-Backbone interact. energy: -0.264
local terms energy: -157.237803
where:
bonds (distance) C4'-P energy: -28.415
bonds (distance) P-C4' energy: -28.790
flat angles C4'-P-C4' energy: -31.411
flat angles P-C4'-P energy: -22.341
tors. eta vs tors. theta energy: -46.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -556.121740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.121740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.121740 (E_RNA)
where:
Base-Base interactions energy: -406.088
where: short stacking energy: -164.292
Base-Backbone interact. energy: -0.006
local terms energy: -150.027892
where:
bonds (distance) C4'-P energy: -26.639
bonds (distance) P-C4' energy: -30.443
flat angles C4'-P-C4' energy: -28.934
flat angles P-C4'-P energy: -18.734
tors. eta vs tors. theta energy: -45.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -560.600361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.600361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.600361 (E_RNA)
where:
Base-Base interactions energy: -400.521
where: short stacking energy: -154.979
Base-Backbone interact. energy: -0.585
local terms energy: -159.494176
where:
bonds (distance) C4'-P energy: -27.314
bonds (distance) P-C4' energy: -28.200
flat angles C4'-P-C4' energy: -31.669
flat angles P-C4'-P energy: -24.323
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: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -549.438030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.438030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.438030 (E_RNA)
where:
Base-Base interactions energy: -400.108
where: short stacking energy: -156.025
Base-Backbone interact. energy: -2.518
local terms energy: -146.812682
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -29.329
flat angles C4'-P-C4' energy: -27.394
flat angles P-C4'-P energy: -26.661
tors. eta vs tors. theta energy: -45.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -546.381004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.381004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.381004 (E_RNA)
where:
Base-Base interactions energy: -400.874
where: short stacking energy: -156.000
Base-Backbone interact. energy: -1.348
local terms energy: -144.159269
where:
bonds (distance) C4'-P energy: -26.241
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -31.836
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -46.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -531.182431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.182431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.182431 (E_RNA)
where:
Base-Base interactions energy: -389.693
where: short stacking energy: -158.051
Base-Backbone interact. energy: -0.719
local terms energy: -140.770056
where:
bonds (distance) C4'-P energy: -26.266
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -32.011
flat angles P-C4'-P energy: -18.335
tors. eta vs tors. theta energy: -45.977
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: 7, replica: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -516.423471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.423471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.423471 (E_RNA)
where:
Base-Base interactions energy: -375.069
where: short stacking energy: -136.664
Base-Backbone interact. energy: -1.406
local terms energy: -139.947960
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -23.761
flat angles C4'-P-C4' energy: -30.682
flat angles P-C4'-P energy: -21.489
tors. eta vs tors. theta energy: -43.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -523.866269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.866269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.866269 (E_RNA)
where:
Base-Base interactions energy: -381.493
where: short stacking energy: -144.499
Base-Backbone interact. energy: -0.960
local terms energy: -141.413037
where:
bonds (distance) C4'-P energy: -28.288
bonds (distance) P-C4' energy: -24.739
flat angles C4'-P-C4' energy: -29.313
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -46.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -501.516138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.516138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.516138 (E_RNA)
where:
Base-Base interactions energy: -360.232
where: short stacking energy: -147.741
Base-Backbone interact. energy: -0.030
local terms energy: -141.253288
where:
bonds (distance) C4'-P energy: -24.506
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -32.897
flat angles P-C4'-P energy: -19.286
tors. eta vs tors. theta energy: -45.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -491.144543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.144543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.144543 (E_RNA)
where:
Base-Base interactions energy: -372.840
where: short stacking energy: -145.010
Base-Backbone interact. energy: -0.046
local terms energy: -118.258768
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -27.765
flat angles P-C4'-P energy: -15.410
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: 1, replica: 6
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -562.722528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.722528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.722528 (E_RNA)
where:
Base-Base interactions energy: -402.940
where: short stacking energy: -164.133
Base-Backbone interact. energy: -1.344
local terms energy: -158.438559
where:
bonds (distance) C4'-P energy: -28.941
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -33.995
flat angles P-C4'-P energy: -24.553
tors. eta vs tors. theta energy: -48.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -556.989854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.989854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.989854 (E_RNA)
where:
Base-Base interactions energy: -399.614
where: short stacking energy: -154.762
Base-Backbone interact. energy: -0.901
local terms energy: -156.474337
where:
bonds (distance) C4'-P energy: -27.642
bonds (distance) P-C4' energy: -27.236
flat angles C4'-P-C4' energy: -29.337
flat angles P-C4'-P energy: -24.634
tors. eta vs tors. theta energy: -47.626
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: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -550.443258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.443258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.443258 (E_RNA)
where:
Base-Base interactions energy: -391.932
where: short stacking energy: -154.303
Base-Backbone interact. energy: -0.830
local terms energy: -157.681449
where:
bonds (distance) C4'-P energy: -26.573
bonds (distance) P-C4' energy: -28.105
flat angles C4'-P-C4' energy: -31.492
flat angles P-C4'-P energy: -23.579
tors. eta vs tors. theta energy: -47.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -545.764846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.764846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.764846 (E_RNA)
where:
Base-Base interactions energy: -397.370
where: short stacking energy: -155.615
Base-Backbone interact. energy: -0.979
local terms energy: -147.415535
where:
bonds (distance) C4'-P energy: -24.594
bonds (distance) P-C4' energy: -21.593
flat angles C4'-P-C4' energy: -30.137
flat angles P-C4'-P energy: -22.877
tors. eta vs tors. theta energy: -48.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -531.111834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.111834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.111834 (E_RNA)
where:
Base-Base interactions energy: -391.726
where: short stacking energy: -154.966
Base-Backbone interact. energy: -0.857
local terms energy: -138.528800
where:
bonds (distance) C4'-P energy: -25.683
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -27.089
flat angles P-C4'-P energy: -19.649
tors. eta vs tors. theta energy: -46.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -536.342791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.342791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.342791 (E_RNA)
where:
Base-Base interactions energy: -389.796
where: short stacking energy: -155.463
Base-Backbone interact. energy: -0.385
local terms energy: -146.161779
where:
bonds (distance) C4'-P energy: -24.202
bonds (distance) P-C4' energy: -26.067
flat angles C4'-P-C4' energy: -28.649
flat angles P-C4'-P energy: -22.734
tors. eta vs tors. theta energy: -44.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -514.525072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.525072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.525072 (E_RNA)
where:
Base-Base interactions energy: -375.237
where: short stacking energy: -140.130
Base-Backbone interact. energy: -0.165
local terms energy: -139.123787
where:
bonds (distance) C4'-P energy: -24.785
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -25.501
flat angles P-C4'-P energy: -21.866
tors. eta vs tors. theta energy: -45.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -514.431350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.431350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.431350 (E_RNA)
where:
Base-Base interactions energy: -380.577
where: short stacking energy: -145.509
Base-Backbone interact. energy: -1.455
local terms energy: -132.399773
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -22.504
flat angles C4'-P-C4' energy: -29.985
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -42.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -492.321257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.321257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.321257 (E_RNA)
where:
Base-Base interactions energy: -362.788
where: short stacking energy: -138.793
Base-Backbone interact. energy: -0.995
local terms energy: -128.538149
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -28.660
flat angles P-C4'-P energy: -21.861
tors. eta vs tors. theta energy: -40.029
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: 10, replica: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -488.267328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.267328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.267328 (E_RNA)
where:
Base-Base interactions energy: -360.107
where: short stacking energy: -139.480
Base-Backbone interact. energy: -0.012
local terms energy: -128.148535
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -25.604
flat angles P-C4'-P energy: -19.656
tors. eta vs tors. theta energy: -42.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -573.814841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.814841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.814841 (E_RNA)
where:
Base-Base interactions energy: -416.113
where: short stacking energy: -164.793
Base-Backbone interact. energy: -0.467
local terms energy: -157.235649
where:
bonds (distance) C4'-P energy: -27.752
bonds (distance) P-C4' energy: -26.494
flat angles C4'-P-C4' energy: -33.787
flat angles P-C4'-P energy: -23.730
tors. eta vs tors. theta energy: -45.472
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: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -557.449455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.449455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.449455 (E_RNA)
where:
Base-Base interactions energy: -407.464
where: short stacking energy: -156.078
Base-Backbone interact. energy: -0.533
local terms energy: -149.452424
where:
bonds (distance) C4'-P energy: -29.244
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -28.612
flat angles P-C4'-P energy: -23.166
tors. eta vs tors. theta energy: -47.119
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: 3, replica: 8
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -550.455675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.455675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.455675 (E_RNA)
where:
Base-Base interactions energy: -398.884
where: short stacking energy: -156.405
Base-Backbone interact. energy: 0.227
local terms energy: -151.798883
where:
bonds (distance) C4'-P energy: -28.916
bonds (distance) P-C4' energy: -25.606
flat angles C4'-P-C4' energy: -27.873
flat angles P-C4'-P energy: -25.875
tors. eta vs tors. theta energy: -43.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -542.853416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.853416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.853416 (E_RNA)
where:
Base-Base interactions energy: -393.425
where: short stacking energy: -155.886
Base-Backbone interact. energy: -0.356
local terms energy: -149.072837
where:
bonds (distance) C4'-P energy: -24.718
bonds (distance) P-C4' energy: -26.723
flat angles C4'-P-C4' energy: -30.438
flat angles P-C4'-P energy: -22.248
tors. eta vs tors. theta energy: -44.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -534.640498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.640498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.640498 (E_RNA)
where:
Base-Base interactions energy: -387.788
where: short stacking energy: -146.138
Base-Backbone interact. energy: -0.926
local terms energy: -145.926760
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -24.434
flat angles C4'-P-C4' energy: -35.960
flat angles P-C4'-P energy: -21.932
tors. eta vs tors. theta energy: -43.980
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: 6, replica: 1
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -533.271264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.271264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.271264 (E_RNA)
where:
Base-Base interactions energy: -392.849
where: short stacking energy: -151.268
Base-Backbone interact. energy: -0.482
local terms energy: -139.939926
where:
bonds (distance) C4'-P energy: -27.813
bonds (distance) P-C4' energy: -19.075
flat angles C4'-P-C4' energy: -27.237
flat angles P-C4'-P energy: -20.292
tors. eta vs tors. theta energy: -45.524
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: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -520.282661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.282661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.282661 (E_RNA)
where:
Base-Base interactions energy: -384.844
where: short stacking energy: -149.579
Base-Backbone interact. energy: -0.376
local terms energy: -135.062964
where:
bonds (distance) C4'-P energy: -24.551
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -29.344
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: -44.307
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: 257
Temperature: 1.250000
Total energy: -517.292723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.292723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.292723 (E_RNA)
where:
Base-Base interactions energy: -372.726
where: short stacking energy: -144.480
Base-Backbone interact. energy: -0.124
local terms energy: -144.442557
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -30.258
flat angles C4'-P-C4' energy: -26.948
flat angles P-C4'-P energy: -18.505
tors. eta vs tors. theta energy: -47.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -501.159454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.159454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.159454 (E_RNA)
where:
Base-Base interactions energy: -367.721
where: short stacking energy: -143.772
Base-Backbone interact. energy: -0.026
local terms energy: -133.412888
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -29.084
flat angles P-C4'-P energy: -24.244
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: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -484.799360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.799360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.799360 (E_RNA)
where:
Base-Base interactions energy: -349.592
where: short stacking energy: -127.908
Base-Backbone interact. energy: -1.009
local terms energy: -134.197588
where:
bonds (distance) C4'-P energy: -25.531
bonds (distance) P-C4' energy: -21.373
flat angles C4'-P-C4' energy: -27.683
flat angles P-C4'-P energy: -17.847
tors. eta vs tors. theta energy: -41.763
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: 7
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -566.930833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.930833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.930833 (E_RNA)
where:
Base-Base interactions energy: -403.446
where: short stacking energy: -158.518
Base-Backbone interact. energy: -0.002
local terms energy: -163.482333
where:
bonds (distance) C4'-P energy: -31.399
bonds (distance) P-C4' energy: -31.007
flat angles C4'-P-C4' energy: -28.051
flat angles P-C4'-P energy: -24.918
tors. eta vs tors. theta energy: -48.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -553.226730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.226730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.226730 (E_RNA)
where:
Base-Base interactions energy: -405.367
where: short stacking energy: -160.607
Base-Backbone interact. energy: -0.174
local terms energy: -147.686310
where:
bonds (distance) C4'-P energy: -28.782
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -29.784
flat angles P-C4'-P energy: -20.740
tors. eta vs tors. theta energy: -46.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -552.162598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.162598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.162598 (E_RNA)
where:
Base-Base interactions energy: -397.631
where: short stacking energy: -153.616
Base-Backbone interact. energy: -1.166
local terms energy: -153.365173
where:
bonds (distance) C4'-P energy: -27.559
bonds (distance) P-C4' energy: -27.664
flat angles C4'-P-C4' energy: -27.119
flat angles P-C4'-P energy: -25.400
tors. eta vs tors. theta energy: -45.623
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: 9
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -539.506578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.506578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.506578 (E_RNA)
where:
Base-Base interactions energy: -395.246
where: short stacking energy: -156.180
Base-Backbone interact. energy: -0.009
local terms energy: -144.251174
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -30.757
flat angles P-C4'-P energy: -22.142
tors. eta vs tors. theta energy: -45.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -522.270049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.270049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.270049 (E_RNA)
where:
Base-Base interactions energy: -382.264
where: short stacking energy: -146.096
Base-Backbone interact. energy: -0.251
local terms energy: -139.755203
where:
bonds (distance) C4'-P energy: -25.061
bonds (distance) P-C4' energy: -25.409
flat angles C4'-P-C4' energy: -27.366
flat angles P-C4'-P energy: -19.266
tors. eta vs tors. theta energy: -42.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -525.382480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.382480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.382480 (E_RNA)
where:
Base-Base interactions energy: -378.273
where: short stacking energy: -145.731
Base-Backbone interact. energy: -1.327
local terms energy: -145.782912
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -26.400
flat angles C4'-P-C4' energy: -28.806
flat angles P-C4'-P energy: -21.782
tors. eta vs tors. theta energy: -47.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -520.383642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.383642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.383642 (E_RNA)
where:
Base-Base interactions energy: -390.093
where: short stacking energy: -156.510
Base-Backbone interact. energy: -0.043
local terms energy: -130.246923
where:
bonds (distance) C4'-P energy: -23.125
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -27.847
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -44.895
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: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -512.687970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.687970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.687970 (E_RNA)
where:
Base-Base interactions energy: -382.476
where: short stacking energy: -149.185
Base-Backbone interact. energy: -0.573
local terms energy: -129.639023
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -19.323
flat angles C4'-P-C4' energy: -25.293
flat angles P-C4'-P energy: -23.006
tors. eta vs tors. theta energy: -44.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -497.993004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.993004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.993004 (E_RNA)
where:
Base-Base interactions energy: -367.721
where: short stacking energy: -139.460
Base-Backbone interact. energy: -0.621
local terms energy: -129.650904
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -29.862
flat angles P-C4'-P energy: -21.507
tors. eta vs tors. theta energy: -44.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -505.368342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.368342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.368342 (E_RNA)
where:
Base-Base interactions energy: -365.270
where: short stacking energy: -137.204
Base-Backbone interact. energy: -0.216
local terms energy: -139.882614
where:
bonds (distance) C4'-P energy: -24.772
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -29.697
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -45.869
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: 1, replica: 7
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -564.664248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.664248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.664248 (E_RNA)
where:
Base-Base interactions energy: -408.746
where: short stacking energy: -158.310
Base-Backbone interact. energy: -0.089
local terms energy: -155.829214
where:
bonds (distance) C4'-P energy: -27.251
bonds (distance) P-C4' energy: -31.827
flat angles C4'-P-C4' energy: -28.832
flat angles P-C4'-P energy: -21.652
tors. eta vs tors. theta energy: -46.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -558.019887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.019887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.019887 (E_RNA)
where:
Base-Base interactions energy: -408.699
where: short stacking energy: -159.893
Base-Backbone interact. energy: -1.566
local terms energy: -147.754725
where:
bonds (distance) C4'-P energy: -26.846
bonds (distance) P-C4' energy: -26.103
flat angles C4'-P-C4' energy: -25.900
flat angles P-C4'-P energy: -20.625
tors. eta vs tors. theta energy: -48.282
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: 3, replica: 6
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -548.214212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.214212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.214212 (E_RNA)
where:
Base-Base interactions energy: -400.949
where: short stacking energy: -157.809
Base-Backbone interact. energy: -0.525
local terms energy: -146.740646
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -28.307
flat angles C4'-P-C4' energy: -33.304
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -46.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -540.804029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.804029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.804029 (E_RNA)
where:
Base-Base interactions energy: -392.467
where: short stacking energy: -159.145
Base-Backbone interact. energy: -0.001
local terms energy: -148.335528
where:
bonds (distance) C4'-P energy: -24.825
bonds (distance) P-C4' energy: -28.348
flat angles C4'-P-C4' energy: -28.903
flat angles P-C4'-P energy: -20.062
tors. eta vs tors. theta energy: -46.196
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: 9
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -530.994428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.994428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.994428 (E_RNA)
where:
Base-Base interactions energy: -391.377
where: short stacking energy: -151.275
Base-Backbone interact. energy: -1.101
local terms energy: -138.516356
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -25.821
flat angles C4'-P-C4' energy: -29.387
flat angles P-C4'-P energy: -18.152
tors. eta vs tors. theta energy: -44.310
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: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -527.984992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.984992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.984992 (E_RNA)
where:
Base-Base interactions energy: -381.283
where: short stacking energy: -148.514
Base-Backbone interact. energy: -0.992
local terms energy: -145.709926
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -28.076
flat angles C4'-P-C4' energy: -29.550
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -45.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -527.833706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.833706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.833706 (E_RNA)
where:
Base-Base interactions energy: -390.237
where: short stacking energy: -153.032
Base-Backbone interact. energy: -1.208
local terms energy: -136.389163
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -26.715
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -20.731
tors. eta vs tors. theta energy: -46.124
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: 8, replica: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -514.905469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.905469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.905469 (E_RNA)
where:
Base-Base interactions energy: -377.716
where: short stacking energy: -142.891
Base-Backbone interact. energy: -0.646
local terms energy: -136.543309
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -22.957
flat angles C4'-P-C4' energy: -28.112
flat angles P-C4'-P energy: -19.703
tors. eta vs tors. theta energy: -43.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -504.562467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.562467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.562467 (E_RNA)
where:
Base-Base interactions energy: -365.711
where: short stacking energy: -132.698
Base-Backbone interact. energy: -0.157
local terms energy: -138.694664
where:
bonds (distance) C4'-P energy: -26.143
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -24.764
flat angles P-C4'-P energy: -22.132
tors. eta vs tors. theta energy: -41.745
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: 3
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -496.454577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.454577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.454577 (E_RNA)
where:
Base-Base interactions energy: -376.850
where: short stacking energy: -143.624
Base-Backbone interact. energy: 0.303
local terms energy: -119.907861
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -27.504
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -46.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -560.309906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.309906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.309906 (E_RNA)
where:
Base-Base interactions energy: -397.355
where: short stacking energy: -158.830
Base-Backbone interact. energy: -0.667
local terms energy: -162.288353
where:
bonds (distance) C4'-P energy: -29.347
bonds (distance) P-C4' energy: -31.289
flat angles C4'-P-C4' energy: -31.730
flat angles P-C4'-P energy: -22.795
tors. eta vs tors. theta energy: -47.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -555.519690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.519690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.519690 (E_RNA)
where:
Base-Base interactions energy: -397.096
where: short stacking energy: -156.881
Base-Backbone interact. energy: -0.450
local terms energy: -157.973762
where:
bonds (distance) C4'-P energy: -27.955
bonds (distance) P-C4' energy: -27.794
flat angles C4'-P-C4' energy: -31.254
flat angles P-C4'-P energy: -23.408
tors. eta vs tors. theta energy: -47.563
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: 3, replica: 6
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -556.052728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.052728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.052728 (E_RNA)
where:
Base-Base interactions energy: -409.965
where: short stacking energy: -161.278
Base-Backbone interact. energy: -0.042
local terms energy: -146.045504
where:
bonds (distance) C4'-P energy: -24.722
bonds (distance) P-C4' energy: -25.904
flat angles C4'-P-C4' energy: -28.040
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: -44.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -534.933267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.933267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.933267 (E_RNA)
where:
Base-Base interactions energy: -389.103
where: short stacking energy: -144.084
Base-Backbone interact. energy: -0.616
local terms energy: -145.213555
where:
bonds (distance) C4'-P energy: -22.154
bonds (distance) P-C4' energy: -20.836
flat angles C4'-P-C4' energy: -33.067
flat angles P-C4'-P energy: -22.668
tors. eta vs tors. theta energy: -46.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -540.385342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.385342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.385342 (E_RNA)
where:
Base-Base interactions energy: -379.454
where: short stacking energy: -151.175
Base-Backbone interact. energy: -0.161
local terms energy: -160.770193
where:
bonds (distance) C4'-P energy: -27.506
bonds (distance) P-C4' energy: -29.008
flat angles C4'-P-C4' energy: -31.456
flat angles P-C4'-P energy: -27.003
tors. eta vs tors. theta energy: -45.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -536.454085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.454085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.454085 (E_RNA)
where:
Base-Base interactions energy: -391.817
where: short stacking energy: -151.776
Base-Backbone interact. energy: -0.074
local terms energy: -144.563038
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -31.467
flat angles C4'-P-C4' energy: -28.066
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -44.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -528.348893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.348893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.348893 (E_RNA)
where:
Base-Base interactions energy: -383.440
where: short stacking energy: -154.898
Base-Backbone interact. energy: -0.296
local terms energy: -144.612797
where:
bonds (distance) C4'-P energy: -25.388
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -28.211
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -47.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -511.254613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.254613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.254613 (E_RNA)
where:
Base-Base interactions energy: -374.455
where: short stacking energy: -147.677
Base-Backbone interact. energy: -0.018
local terms energy: -136.781515
where:
bonds (distance) C4'-P energy: -22.715
bonds (distance) P-C4' energy: -26.342
flat angles C4'-P-C4' energy: -24.830
flat angles P-C4'-P energy: -18.610
tors. eta vs tors. theta energy: -44.284
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: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -510.632079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.632079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.632079 (E_RNA)
where:
Base-Base interactions energy: -381.747
where: short stacking energy: -146.769
Base-Backbone interact. energy: -0.327
local terms energy: -128.558333
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -27.170
flat angles C4'-P-C4' energy: -25.021
flat angles P-C4'-P energy: -19.407
tors. eta vs tors. theta energy: -40.710
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: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -498.574650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.574650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.574650 (E_RNA)
where:
Base-Base interactions energy: -358.117
where: short stacking energy: -137.189
Base-Backbone interact. energy: -0.294
local terms energy: -140.162840
where:
bonds (distance) C4'-P energy: -26.065
bonds (distance) P-C4' energy: -25.175
flat angles C4'-P-C4' energy: -25.571
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -42.676
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: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -560.484048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.484048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.484048 (E_RNA)
where:
Base-Base interactions energy: -412.013
where: short stacking energy: -165.041
Base-Backbone interact. energy: -0.043
local terms energy: -148.428180
where:
bonds (distance) C4'-P energy: -25.891
bonds (distance) P-C4' energy: -26.996
flat angles C4'-P-C4' energy: -28.570
flat angles P-C4'-P energy: -18.330
tors. eta vs tors. theta energy: -48.641
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: 6
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -552.741153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.741153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.741153 (E_RNA)
where:
Base-Base interactions energy: -401.784
where: short stacking energy: -158.974
Base-Backbone interact. energy: -0.322
local terms energy: -150.635569
where:
bonds (distance) C4'-P energy: -24.958
bonds (distance) P-C4' energy: -23.959
flat angles C4'-P-C4' energy: -30.785
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -46.512
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: 3, replica: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -552.562822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.562822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.562822 (E_RNA)
where:
Base-Base interactions energy: -404.006
where: short stacking energy: -163.531
Base-Backbone interact. energy: -1.735
local terms energy: -146.821025
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -25.498
flat angles C4'-P-C4' energy: -30.103
flat angles P-C4'-P energy: -24.350
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: 9
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -546.419570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.419570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.419570 (E_RNA)
where:
Base-Base interactions energy: -393.317
where: short stacking energy: -156.182
Base-Backbone interact. energy: -1.328
local terms energy: -151.774853
where:
bonds (distance) C4'-P energy: -24.759
bonds (distance) P-C4' energy: -28.263
flat angles C4'-P-C4' energy: -29.164
flat angles P-C4'-P energy: -23.234
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: 5, replica: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -526.650407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.650407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.650407 (E_RNA)
where:
Base-Base interactions energy: -378.829
where: short stacking energy: -145.105
Base-Backbone interact. energy: -0.019
local terms energy: -147.802530
where:
bonds (distance) C4'-P energy: -23.368
bonds (distance) P-C4' energy: -28.491
flat angles C4'-P-C4' energy: -29.561
flat angles P-C4'-P energy: -23.389
tors. eta vs tors. theta energy: -42.994
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: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -533.191267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.191267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.191267 (E_RNA)
where:
Base-Base interactions energy: -386.562
where: short stacking energy: -149.818
Base-Backbone interact. energy: -0.240
local terms energy: -146.389136
where:
bonds (distance) C4'-P energy: -26.548
bonds (distance) P-C4' energy: -23.534
flat angles C4'-P-C4' energy: -30.326
flat angles P-C4'-P energy: -18.720
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: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -532.996622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.996622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.996622 (E_RNA)
where:
Base-Base interactions energy: -392.694
where: short stacking energy: -156.625
Base-Backbone interact. energy: -1.181
local terms energy: -139.120899
where:
bonds (distance) C4'-P energy: -25.459
bonds (distance) P-C4' energy: -23.850
flat angles C4'-P-C4' energy: -24.743
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: -44.803
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: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -513.162725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.162725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.162725 (E_RNA)
where:
Base-Base interactions energy: -380.224
where: short stacking energy: -145.374
Base-Backbone interact. energy: -1.493
local terms energy: -131.445465
where:
bonds (distance) C4'-P energy: -8.797
bonds (distance) P-C4' energy: -27.821
flat angles C4'-P-C4' energy: -28.773
flat angles P-C4'-P energy: -21.318
tors. eta vs tors. theta energy: -44.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -513.023570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.023570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.023570 (E_RNA)
where:
Base-Base interactions energy: -380.685
where: short stacking energy: -150.406
Base-Backbone interact. energy: -0.043
local terms energy: -132.295215
where:
bonds (distance) C4'-P energy: -22.592
bonds (distance) P-C4' energy: -17.804
flat angles C4'-P-C4' energy: -26.963
flat angles P-C4'-P energy: -21.061
tors. eta vs tors. theta energy: -43.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -492.176320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.176320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.176320 (E_RNA)
where:
Base-Base interactions energy: -354.227
where: short stacking energy: -138.341
Base-Backbone interact. energy: -0.838
local terms energy: -137.111275
where:
bonds (distance) C4'-P energy: -23.447
bonds (distance) P-C4' energy: -23.355
flat angles C4'-P-C4' energy: -30.178
flat angles P-C4'-P energy: -17.787
tors. eta vs tors. theta energy: -42.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -567.571458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.571458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.571458 (E_RNA)
where:
Base-Base interactions energy: -409.241
where: short stacking energy: -161.214
Base-Backbone interact. energy: -1.267
local terms energy: -157.063577
where:
bonds (distance) C4'-P energy: -25.994
bonds (distance) P-C4' energy: -30.847
flat angles C4'-P-C4' energy: -29.425
flat angles P-C4'-P energy: -24.787
tors. eta vs tors. theta energy: -46.011
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: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -548.994323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.994323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.994323 (E_RNA)
where:
Base-Base interactions energy: -396.332
where: short stacking energy: -160.979
Base-Backbone interact. energy: -0.825
local terms energy: -151.837472
where:
bonds (distance) C4'-P energy: -24.622
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -32.113
flat angles P-C4'-P energy: -24.234
tors. eta vs tors. theta energy: -45.447
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: 3, replica: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -553.323284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.323284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.323284 (E_RNA)
where:
Base-Base interactions energy: -402.862
where: short stacking energy: -159.360
Base-Backbone interact. energy: -0.857
local terms energy: -149.604373
where:
bonds (distance) C4'-P energy: -28.942
bonds (distance) P-C4' energy: -27.073
flat angles C4'-P-C4' energy: -27.947
flat angles P-C4'-P energy: -18.947
tors. eta vs tors. theta energy: -46.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -540.303854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.303854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.303854 (E_RNA)
where:
Base-Base interactions energy: -393.116
where: short stacking energy: -158.531
Base-Backbone interact. energy: -0.710
local terms energy: -146.477516
where:
bonds (distance) C4'-P energy: -29.860
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -29.399
flat angles P-C4'-P energy: -18.091
tors. eta vs tors. theta energy: -47.190
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: 262
Temperature: 1.100000
Total energy: -524.390793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.390793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.390793 (E_RNA)
where:
Base-Base interactions energy: -391.377
where: short stacking energy: -157.696
Base-Backbone interact. energy: -0.003
local terms energy: -133.010926
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -21.720
flat angles C4'-P-C4' energy: -25.900
flat angles P-C4'-P energy: -21.091
tors. eta vs tors. theta energy: -44.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -528.052508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.052508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.052508 (E_RNA)
where:
Base-Base interactions energy: -378.377
where: short stacking energy: -138.309
Base-Backbone interact. energy: -0.220
local terms energy: -149.455950
where:
bonds (distance) C4'-P energy: -26.850
bonds (distance) P-C4' energy: -29.024
flat angles C4'-P-C4' energy: -30.279
flat angles P-C4'-P energy: -19.071
tors. eta vs tors. theta energy: -44.232
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: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -523.049048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.049048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.049048 (E_RNA)
where:
Base-Base interactions energy: -391.280
where: short stacking energy: -160.831
Base-Backbone interact. energy: -0.478
local terms energy: -131.291755
where:
bonds (distance) C4'-P energy: -24.231
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -25.848
flat angles P-C4'-P energy: -15.509
tors. eta vs tors. theta energy: -47.865
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: 3
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -515.971400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.971400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.971400 (E_RNA)
where:
Base-Base interactions energy: -381.254
where: short stacking energy: -148.229
Base-Backbone interact. energy: -1.301
local terms energy: -133.416657
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -26.142
flat angles C4'-P-C4' energy: -27.771
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -44.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -501.382676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.382676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.382676 (E_RNA)
where:
Base-Base interactions energy: -365.241
where: short stacking energy: -145.898
Base-Backbone interact. energy: -1.227
local terms energy: -134.914597
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -28.642
flat angles C4'-P-C4' energy: -25.995
flat angles P-C4'-P energy: -21.196
tors. eta vs tors. theta energy: -41.895
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: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -498.067915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.067915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.067915 (E_RNA)
where:
Base-Base interactions energy: -359.849
where: short stacking energy: -144.400
Base-Backbone interact. energy: -0.638
local terms energy: -137.580891
where:
bonds (distance) C4'-P energy: -23.276
bonds (distance) P-C4' energy: -20.841
flat angles C4'-P-C4' energy: -27.125
flat angles P-C4'-P energy: -18.078
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: 1, replica: 6
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -555.819334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.819334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.819334 (E_RNA)
where:
Base-Base interactions energy: -412.586
where: short stacking energy: -158.020
Base-Backbone interact. energy: -0.983
local terms energy: -142.250038
where:
bonds (distance) C4'-P energy: -23.782
bonds (distance) P-C4' energy: -22.342
flat angles C4'-P-C4' energy: -29.366
flat angles P-C4'-P energy: -21.162
tors. eta vs tors. theta energy: -45.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -548.990698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.990698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.990698 (E_RNA)
where:
Base-Base interactions energy: -401.779
where: short stacking energy: -157.079
Base-Backbone interact. energy: -0.512
local terms energy: -146.699181
where:
bonds (distance) C4'-P energy: -26.978
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -31.110
flat angles P-C4'-P energy: -21.467
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: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -544.562651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.562651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.562651 (E_RNA)
where:
Base-Base interactions energy: -397.578
where: short stacking energy: -157.099
Base-Backbone interact. energy: -0.003
local terms energy: -146.981732
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -27.568
flat angles C4'-P-C4' energy: -29.629
flat angles P-C4'-P energy: -22.543
tors. eta vs tors. theta energy: -44.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -543.728364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.728364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.728364 (E_RNA)
where:
Base-Base interactions energy: -384.711
where: short stacking energy: -157.441
Base-Backbone interact. energy: -0.725
local terms energy: -158.292683
where:
bonds (distance) C4'-P energy: -27.238
bonds (distance) P-C4' energy: -28.349
flat angles C4'-P-C4' energy: -28.310
flat angles P-C4'-P energy: -26.870
tors. eta vs tors. theta energy: -47.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -539.795767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.795767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.795767 (E_RNA)
where:
Base-Base interactions energy: -395.089
where: short stacking energy: -151.760
Base-Backbone interact. energy: -1.060
local terms energy: -143.647323
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -27.200
flat angles C4'-P-C4' energy: -31.112
flat angles P-C4'-P energy: -23.507
tors. eta vs tors. theta energy: -44.109
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: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -527.523847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.523847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.523847 (E_RNA)
where:
Base-Base interactions energy: -382.997
where: short stacking energy: -150.881
Base-Backbone interact. energy: -1.460
local terms energy: -143.066414
where:
bonds (distance) C4'-P energy: -25.687
bonds (distance) P-C4' energy: -24.910
flat angles C4'-P-C4' energy: -28.284
flat angles P-C4'-P energy: -19.533
tors. eta vs tors. theta energy: -44.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -508.752547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.752547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.752547 (E_RNA)
where:
Base-Base interactions energy: -379.600
where: short stacking energy: -149.523
Base-Backbone interact. energy: 1.071
local terms energy: -130.223560
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -28.904
flat angles P-C4'-P energy: -15.937
tors. eta vs tors. theta energy: -42.170
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: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -504.327584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.327584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.327584 (E_RNA)
where:
Base-Base interactions energy: -375.835
where: short stacking energy: -144.155
Base-Backbone interact. energy: 0.055
local terms energy: -128.548021
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -28.308
flat angles P-C4'-P energy: -22.858
tors. eta vs tors. theta energy: -44.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -508.404942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.404942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.404942 (E_RNA)
where:
Base-Base interactions energy: -363.368
where: short stacking energy: -136.812
Base-Backbone interact. energy: -1.002
local terms energy: -144.035391
where:
bonds (distance) C4'-P energy: -23.443
bonds (distance) P-C4' energy: -32.034
flat angles C4'-P-C4' energy: -25.174
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: -44.091
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: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -481.991247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.991247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.991247 (E_RNA)
where:
Base-Base interactions energy: -355.692
where: short stacking energy: -134.189
Base-Backbone interact. energy: -0.344
local terms energy: -125.954716
where:
bonds (distance) C4'-P energy: -25.963
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -25.884
flat angles P-C4'-P energy: -20.159
tors. eta vs tors. theta energy: -41.246
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: 1, replica: 9
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -561.996418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.996418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.996418 (E_RNA)
where:
Base-Base interactions energy: -405.521
where: short stacking energy: -160.651
Base-Backbone interact. energy: -1.403
local terms energy: -155.071920
where:
bonds (distance) C4'-P energy: -27.049
bonds (distance) P-C4' energy: -23.921
flat angles C4'-P-C4' energy: -32.877
flat angles P-C4'-P energy: -23.965
tors. eta vs tors. theta energy: -47.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -557.120833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.120833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.120833 (E_RNA)
where:
Base-Base interactions energy: -411.046
where: short stacking energy: -159.812
Base-Backbone interact. energy: -1.038
local terms energy: -145.036852
where:
bonds (distance) C4'-P energy: -24.474
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -31.017
flat angles P-C4'-P energy: -22.235
tors. eta vs tors. theta energy: -47.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -551.839539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.839539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.839539 (E_RNA)
where:
Base-Base interactions energy: -400.289
where: short stacking energy: -155.369
Base-Backbone interact. energy: -0.001
local terms energy: -151.549496
where:
bonds (distance) C4'-P energy: -23.699
bonds (distance) P-C4' energy: -26.583
flat angles C4'-P-C4' energy: -30.331
flat angles P-C4'-P energy: -23.592
tors. eta vs tors. theta energy: -47.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -548.406477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.406477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.406477 (E_RNA)
where:
Base-Base interactions energy: -400.523
where: short stacking energy: -157.661
Base-Backbone interact. energy: -1.891
local terms energy: -145.992265
where:
bonds (distance) C4'-P energy: -26.765
bonds (distance) P-C4' energy: -29.617
flat angles C4'-P-C4' energy: -21.113
flat angles P-C4'-P energy: -23.819
tors. eta vs tors. theta energy: -44.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -536.698652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.698652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.698652 (E_RNA)
where:
Base-Base interactions energy: -395.346
where: short stacking energy: -155.901
Base-Backbone interact. energy: -0.318
local terms energy: -141.034247
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -25.762
flat angles P-C4'-P energy: -24.809
tors. eta vs tors. theta energy: -45.293
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: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -527.100023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.100023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.100023 (E_RNA)
where:
Base-Base interactions energy: -373.388
where: short stacking energy: -145.287
Base-Backbone interact. energy: -1.766
local terms energy: -151.946279
where:
bonds (distance) C4'-P energy: -26.467
bonds (distance) P-C4' energy: -30.289
flat angles C4'-P-C4' energy: -30.016
flat angles P-C4'-P energy: -20.158
tors. eta vs tors. theta energy: -45.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -507.220825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.220825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.220825 (E_RNA)
where:
Base-Base interactions energy: -367.083
where: short stacking energy: -139.135
Base-Backbone interact. energy: -0.099
local terms energy: -140.038364
where:
bonds (distance) C4'-P energy: -26.696
bonds (distance) P-C4' energy: -27.737
flat angles C4'-P-C4' energy: -26.702
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -42.574
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: 4
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -514.108665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.108665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.108665 (E_RNA)
where:
Base-Base interactions energy: -371.800
where: short stacking energy: -138.990
Base-Backbone interact. energy: -1.226
local terms energy: -141.082623
where:
bonds (distance) C4'-P energy: -24.764
bonds (distance) P-C4' energy: -24.105
flat angles C4'-P-C4' energy: -28.980
flat angles P-C4'-P energy: -21.919
tors. eta vs tors. theta energy: -41.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -501.087623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.087623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.087623 (E_RNA)
where:
Base-Base interactions energy: -363.011
where: short stacking energy: -146.661
Base-Backbone interact. energy: 0.269
local terms energy: -138.345103
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -27.290
flat angles C4'-P-C4' energy: -26.501
flat angles P-C4'-P energy: -24.347
tors. eta vs tors. theta energy: -41.091
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: 3
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -499.505204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.505204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.505204 (E_RNA)
where:
Base-Base interactions energy: -363.758
where: short stacking energy: -140.866
Base-Backbone interact. energy: -0.405
local terms energy: -135.342281
where:
bonds (distance) C4'-P energy: -22.692
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -27.623
flat angles P-C4'-P energy: -16.456
tors. eta vs tors. theta energy: -45.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -559.875059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.875059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.875059 (E_RNA)
where:
Base-Base interactions energy: -407.869
where: short stacking energy: -159.547
Base-Backbone interact. energy: -0.025
local terms energy: -151.980386
where:
bonds (distance) C4'-P energy: -24.363
bonds (distance) P-C4' energy: -27.465
flat angles C4'-P-C4' energy: -28.850
flat angles P-C4'-P energy: -22.118
tors. eta vs tors. theta energy: -49.185
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: 6
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -551.531224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.531224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.531224 (E_RNA)
where:
Base-Base interactions energy: -403.093
where: short stacking energy: -151.055
Base-Backbone interact. energy: -1.152
local terms energy: -147.286842
where:
bonds (distance) C4'-P energy: -21.463
bonds (distance) P-C4' energy: -27.410
flat angles C4'-P-C4' energy: -30.093
flat angles P-C4'-P energy: -21.485
tors. eta vs tors. theta energy: -46.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -544.664797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.664797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.664797 (E_RNA)
where:
Base-Base interactions energy: -396.819
where: short stacking energy: -160.434
Base-Backbone interact. energy: -0.815
local terms energy: -147.030979
where:
bonds (distance) C4'-P energy: -25.312
bonds (distance) P-C4' energy: -26.866
flat angles C4'-P-C4' energy: -29.664
flat angles P-C4'-P energy: -18.315
tors. eta vs tors. theta energy: -46.874
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: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -537.853577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.853577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.853577 (E_RNA)
where:
Base-Base interactions energy: -394.013
where: short stacking energy: -155.408
Base-Backbone interact. energy: -0.001
local terms energy: -143.839241
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -26.000
flat angles C4'-P-C4' energy: -30.727
flat angles P-C4'-P energy: -22.951
tors. eta vs tors. theta energy: -48.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -547.247551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.247551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.247551 (E_RNA)
where:
Base-Base interactions energy: -398.579
where: short stacking energy: -156.584
Base-Backbone interact. energy: -0.400
local terms energy: -148.268128
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -28.491
flat angles C4'-P-C4' energy: -29.073
flat angles P-C4'-P energy: -22.056
tors. eta vs tors. theta energy: -45.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -538.236267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.236267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.236267 (E_RNA)
where:
Base-Base interactions energy: -395.518
where: short stacking energy: -152.146
Base-Backbone interact. energy: -0.310
local terms energy: -142.408613
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -27.681
flat angles C4'-P-C4' energy: -28.305
flat angles P-C4'-P energy: -21.120
tors. eta vs tors. theta energy: -47.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -517.272810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.272810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.272810 (E_RNA)
where:
Base-Base interactions energy: -372.912
where: short stacking energy: -150.111
Base-Backbone interact. energy: -0.259
local terms energy: -144.102245
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -29.917
flat angles C4'-P-C4' energy: -29.712
flat angles P-C4'-P energy: -19.939
tors. eta vs tors. theta energy: -44.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -498.980034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.980034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.980034 (E_RNA)
where:
Base-Base interactions energy: -363.548
where: short stacking energy: -137.589
Base-Backbone interact. energy: -0.434
local terms energy: -134.997529
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -26.396
flat angles C4'-P-C4' energy: -24.994
flat angles P-C4'-P energy: -22.487
tors. eta vs tors. theta energy: -41.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -494.345324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.345324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.345324 (E_RNA)
where:
Base-Base interactions energy: -354.258
where: short stacking energy: -137.735
Base-Backbone interact. energy: -0.589
local terms energy: -139.498060
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -24.125
flat angles C4'-P-C4' energy: -28.618
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: -43.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -479.503644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.503644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.503644 (E_RNA)
where:
Base-Base interactions energy: -350.723
where: short stacking energy: -140.344
Base-Backbone interact. energy: -1.091
local terms energy: -127.689958
where:
bonds (distance) C4'-P energy: -21.241
bonds (distance) P-C4' energy: -24.969
flat angles C4'-P-C4' energy: -27.563
flat angles P-C4'-P energy: -12.754
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: 1, replica: 6
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -562.768102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.768102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.768102 (E_RNA)
where:
Base-Base interactions energy: -401.959
where: short stacking energy: -154.530
Base-Backbone interact. energy: -2.395
local terms energy: -158.414782
where:
bonds (distance) C4'-P energy: -29.258
bonds (distance) P-C4' energy: -31.563
flat angles C4'-P-C4' energy: -28.763
flat angles P-C4'-P energy: -22.009
tors. eta vs tors. theta energy: -46.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -560.846773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.846773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.846773 (E_RNA)
where:
Base-Base interactions energy: -408.636
where: short stacking energy: -159.000
Base-Backbone interact. energy: -0.500
local terms energy: -151.710407
where:
bonds (distance) C4'-P energy: -27.932
bonds (distance) P-C4' energy: -26.251
flat angles C4'-P-C4' energy: -29.887
flat angles P-C4'-P energy: -20.993
tors. eta vs tors. theta energy: -46.649
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: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -550.096620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.096620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.096620 (E_RNA)
where:
Base-Base interactions energy: -394.723
where: short stacking energy: -152.218
Base-Backbone interact. energy: -0.405
local terms energy: -154.967976
where:
bonds (distance) C4'-P energy: -31.020
bonds (distance) P-C4' energy: -24.727
flat angles C4'-P-C4' energy: -30.415
flat angles P-C4'-P energy: -23.627
tors. eta vs tors. theta energy: -45.179
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: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -551.275373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.275373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.275373 (E_RNA)
where:
Base-Base interactions energy: -401.583
where: short stacking energy: -152.033
Base-Backbone interact. energy: -0.004
local terms energy: -149.688703
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -27.613
flat angles C4'-P-C4' energy: -31.623
flat angles P-C4'-P energy: -20.780
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: 5, replica: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -532.127919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.127919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.127919 (E_RNA)
where:
Base-Base interactions energy: -389.998
where: short stacking energy: -148.223
Base-Backbone interact. energy: -0.002
local terms energy: -142.128850
where:
bonds (distance) C4'-P energy: -24.503
bonds (distance) P-C4' energy: -25.012
flat angles C4'-P-C4' energy: -27.254
flat angles P-C4'-P energy: -20.714
tors. eta vs tors. theta energy: -44.646
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: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -523.698307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.698307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.698307 (E_RNA)
where:
Base-Base interactions energy: -381.651
where: short stacking energy: -151.474
Base-Backbone interact. energy: -0.005
local terms energy: -142.042748
where:
bonds (distance) C4'-P energy: -22.440
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -31.785
flat angles P-C4'-P energy: -18.681
tors. eta vs tors. theta energy: -48.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -523.557598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.557598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.557598 (E_RNA)
where:
Base-Base interactions energy: -384.631
where: short stacking energy: -145.046
Base-Backbone interact. energy: -1.062
local terms energy: -137.864961
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -20.528
tors. eta vs tors. theta energy: -47.890
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: 2
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -513.091131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.091131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.091131 (E_RNA)
where:
Base-Base interactions energy: -368.533
where: short stacking energy: -139.985
Base-Backbone interact. energy: -0.785
local terms energy: -143.772688
where:
bonds (distance) C4'-P energy: -23.600
bonds (distance) P-C4' energy: -23.401
flat angles C4'-P-C4' energy: -30.123
flat angles P-C4'-P energy: -21.781
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: 9, replica: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -509.842276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.842276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.842276 (E_RNA)
where:
Base-Base interactions energy: -376.116
where: short stacking energy: -150.248
Base-Backbone interact. energy: -0.199
local terms energy: -133.526541
where:
bonds (distance) C4'-P energy: -22.107
bonds (distance) P-C4' energy: -19.401
flat angles C4'-P-C4' energy: -26.698
flat angles P-C4'-P energy: -20.585
tors. eta vs tors. theta energy: -44.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -498.867417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.867417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.867417 (E_RNA)
where:
Base-Base interactions energy: -367.786
where: short stacking energy: -144.036
Base-Backbone interact. energy: -0.450
local terms energy: -130.631069
where:
bonds (distance) C4'-P energy: -25.163
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -28.751
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: -39.153
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: 6
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -568.427896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.427896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.427896 (E_RNA)
where:
Base-Base interactions energy: -409.478
where: short stacking energy: -158.917
Base-Backbone interact. energy: -0.513
local terms energy: -158.437527
where:
bonds (distance) C4'-P energy: -29.524
bonds (distance) P-C4' energy: -27.500
flat angles C4'-P-C4' energy: -31.811
flat angles P-C4'-P energy: -21.856
tors. eta vs tors. theta energy: -47.747
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: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -559.652830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.652830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.652830 (E_RNA)
where:
Base-Base interactions energy: -404.802
where: short stacking energy: -159.821
Base-Backbone interact. energy: -0.260
local terms energy: -154.590248
where:
bonds (distance) C4'-P energy: -24.837
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -33.169
flat angles P-C4'-P energy: -23.638
tors. eta vs tors. theta energy: -46.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -551.962974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.962974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.962974 (E_RNA)
where:
Base-Base interactions energy: -397.832
where: short stacking energy: -160.884
Base-Backbone interact. energy: -0.903
local terms energy: -153.228103
where:
bonds (distance) C4'-P energy: -28.220
bonds (distance) P-C4' energy: -29.761
flat angles C4'-P-C4' energy: -25.790
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -47.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -542.431271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.431271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.431271 (E_RNA)
where:
Base-Base interactions energy: -389.091
where: short stacking energy: -154.523
Base-Backbone interact. energy: -1.099
local terms energy: -152.240860
where:
bonds (distance) C4'-P energy: -26.615
bonds (distance) P-C4' energy: -26.959
flat angles C4'-P-C4' energy: -32.391
flat angles P-C4'-P energy: -21.270
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: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -530.213852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.213852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.213852 (E_RNA)
where:
Base-Base interactions energy: -376.065
where: short stacking energy: -151.951
Base-Backbone interact. energy: -0.002
local terms energy: -154.147057
where:
bonds (distance) C4'-P energy: -27.214
bonds (distance) P-C4' energy: -27.087
flat angles C4'-P-C4' energy: -30.010
flat angles P-C4'-P energy: -22.688
tors. eta vs tors. theta energy: -47.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -523.008470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.008470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.008470 (E_RNA)
where:
Base-Base interactions energy: -388.210
where: short stacking energy: -149.933
Base-Backbone interact. energy: -0.119
local terms energy: -134.679302
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -26.910
flat angles C4'-P-C4' energy: -27.943
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -46.968
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: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -514.668666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.668666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.668666 (E_RNA)
where:
Base-Base interactions energy: -377.536
where: short stacking energy: -140.204
Base-Backbone interact. energy: -0.380
local terms energy: -136.752714
where:
bonds (distance) C4'-P energy: -23.279
bonds (distance) P-C4' energy: -27.428
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -23.285
tors. eta vs tors. theta energy: -42.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -501.907251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.907251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.907251 (E_RNA)
where:
Base-Base interactions energy: -370.130
where: short stacking energy: -142.079
Base-Backbone interact. energy: -0.016
local terms energy: -131.761760
where:
bonds (distance) C4'-P energy: -23.935
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -27.143
flat angles P-C4'-P energy: -18.552
tors. eta vs tors. theta energy: -40.058
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: 2
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -498.536482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.536482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.536482 (E_RNA)
where:
Base-Base interactions energy: -373.952
where: short stacking energy: -146.868
Base-Backbone interact. energy: -1.128
local terms energy: -123.456926
where:
bonds (distance) C4'-P energy: -21.303
bonds (distance) P-C4' energy: -20.620
flat angles C4'-P-C4' energy: -23.323
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -42.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -507.281869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.281869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.281869 (E_RNA)
where:
Base-Base interactions energy: -375.852
where: short stacking energy: -152.243
Base-Backbone interact. energy: -0.244
local terms energy: -131.185510
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -25.924
flat angles C4'-P-C4' energy: -25.479
flat angles P-C4'-P energy: -21.189
tors. eta vs tors. theta energy: -42.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -561.649713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.649713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.649713 (E_RNA)
where:
Base-Base interactions energy: -403.680
where: short stacking energy: -157.608
Base-Backbone interact. energy: -0.854
local terms energy: -157.115154
where:
bonds (distance) C4'-P energy: -31.844
bonds (distance) P-C4' energy: -26.861
flat angles C4'-P-C4' energy: -33.738
flat angles P-C4'-P energy: -18.940
tors. eta vs tors. theta energy: -45.732
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: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -563.707379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.707379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.707379 (E_RNA)
where:
Base-Base interactions energy: -405.589
where: short stacking energy: -161.767
Base-Backbone interact. energy: -1.445
local terms energy: -156.673592
where:
bonds (distance) C4'-P energy: -29.443
bonds (distance) P-C4' energy: -24.744
flat angles C4'-P-C4' energy: -29.632
flat angles P-C4'-P energy: -24.283
tors. eta vs tors. theta energy: -48.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -546.600306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.600306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.600306 (E_RNA)
where:
Base-Base interactions energy: -392.779
where: short stacking energy: -153.565
Base-Backbone interact. energy: -0.001
local terms energy: -153.819788
where:
bonds (distance) C4'-P energy: -29.848
bonds (distance) P-C4' energy: -24.397
flat angles C4'-P-C4' energy: -29.657
flat angles P-C4'-P energy: -23.646
tors. eta vs tors. theta energy: -46.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -538.922329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.922329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.922329 (E_RNA)
where:
Base-Base interactions energy: -398.391
where: short stacking energy: -155.367
Base-Backbone interact. energy: -0.132
local terms energy: -140.399383
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -24.938
flat angles C4'-P-C4' energy: -26.469
flat angles P-C4'-P energy: -19.773
tors. eta vs tors. theta energy: -47.884
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: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -531.887940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.887940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.887940 (E_RNA)
where:
Base-Base interactions energy: -386.986
where: short stacking energy: -146.949
Base-Backbone interact. energy: -0.640
local terms energy: -144.262277
where:
bonds (distance) C4'-P energy: -20.279
bonds (distance) P-C4' energy: -29.487
flat angles C4'-P-C4' energy: -30.150
flat angles P-C4'-P energy: -20.989
tors. eta vs tors. theta energy: -43.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -522.436032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.436032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.436032 (E_RNA)
where:
Base-Base interactions energy: -383.405
where: short stacking energy: -147.974
Base-Backbone interact. energy: -0.059
local terms energy: -138.972050
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -32.241
flat angles P-C4'-P energy: -19.198
tors. eta vs tors. theta energy: -44.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -521.903835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.903835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.903835 (E_RNA)
where:
Base-Base interactions energy: -377.350
where: short stacking energy: -140.336
Base-Backbone interact. energy: -0.242
local terms energy: -144.312438
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -24.519
flat angles C4'-P-C4' energy: -29.817
flat angles P-C4'-P energy: -23.849
tors. eta vs tors. theta energy: -45.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -523.042401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.042401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.042401 (E_RNA)
where:
Base-Base interactions energy: -376.623
where: short stacking energy: -147.664
Base-Backbone interact. energy: -0.004
local terms energy: -146.415060
where:
bonds (distance) C4'-P energy: -22.808
bonds (distance) P-C4' energy: -26.051
flat angles C4'-P-C4' energy: -30.325
flat angles P-C4'-P energy: -19.681
tors. eta vs tors. theta energy: -47.551
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: 4
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -488.632209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.632209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.632209 (E_RNA)
where:
Base-Base interactions energy: -350.683
where: short stacking energy: -131.061
Base-Backbone interact. energy: -0.582
local terms energy: -137.367563
where:
bonds (distance) C4'-P energy: -26.830
bonds (distance) P-C4' energy: -23.996
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -17.450
tors. eta vs tors. theta energy: -44.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -495.318798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.318798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.318798 (E_RNA)
where:
Base-Base interactions energy: -373.069
where: short stacking energy: -143.125
Base-Backbone interact. energy: -1.577
local terms energy: -120.672410
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -22.988
flat angles C4'-P-C4' energy: -26.635
flat angles P-C4'-P energy: -15.569
tors. eta vs tors. theta energy: -44.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -561.449076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.449076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.449076 (E_RNA)
where:
Base-Base interactions energy: -405.932
where: short stacking energy: -156.458
Base-Backbone interact. energy: 0.868
local terms energy: -156.384892
where:
bonds (distance) C4'-P energy: -28.067
bonds (distance) P-C4' energy: -28.773
flat angles C4'-P-C4' energy: -29.006
flat angles P-C4'-P energy: -21.753
tors. eta vs tors. theta energy: -48.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -555.206677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.206677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.206677 (E_RNA)
where:
Base-Base interactions energy: -395.236
where: short stacking energy: -153.558
Base-Backbone interact. energy: -0.241
local terms energy: -159.730085
where:
bonds (distance) C4'-P energy: -25.585
bonds (distance) P-C4' energy: -30.294
flat angles C4'-P-C4' energy: -29.091
flat angles P-C4'-P energy: -26.046
tors. eta vs tors. theta energy: -48.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -548.993326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.993326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.993326 (E_RNA)
where:
Base-Base interactions energy: -398.102
where: short stacking energy: -157.297
Base-Backbone interact. energy: -0.678
local terms energy: -150.212963
where:
bonds (distance) C4'-P energy: -19.688
bonds (distance) P-C4' energy: -27.328
flat angles C4'-P-C4' energy: -30.477
flat angles P-C4'-P energy: -24.522
tors. eta vs tors. theta energy: -48.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -556.066940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.066940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.066940 (E_RNA)
where:
Base-Base interactions energy: -396.688
where: short stacking energy: -151.525
Base-Backbone interact. energy: -0.520
local terms energy: -158.858223
where:
bonds (distance) C4'-P energy: -31.557
bonds (distance) P-C4' energy: -24.657
flat angles C4'-P-C4' energy: -32.800
flat angles P-C4'-P energy: -22.245
tors. eta vs tors. theta energy: -47.600
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: 9
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -527.482805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.482805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.482805 (E_RNA)
where:
Base-Base interactions energy: -384.000
where: short stacking energy: -144.781
Base-Backbone interact. energy: -0.474
local terms energy: -143.008152
where:
bonds (distance) C4'-P energy: -21.003
bonds (distance) P-C4' energy: -30.769
flat angles C4'-P-C4' energy: -27.137
flat angles P-C4'-P energy: -18.263
tors. eta vs tors. theta energy: -45.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -520.599608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.599608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.599608 (E_RNA)
where:
Base-Base interactions energy: -372.317
where: short stacking energy: -141.009
Base-Backbone interact. energy: -0.002
local terms energy: -148.280777
where:
bonds (distance) C4'-P energy: -30.382
bonds (distance) P-C4' energy: -28.024
flat angles C4'-P-C4' energy: -28.356
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -46.053
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: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -523.882114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.882114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.882114 (E_RNA)
where:
Base-Base interactions energy: -380.099
where: short stacking energy: -146.809
Base-Backbone interact. energy: -0.004
local terms energy: -143.778956
where:
bonds (distance) C4'-P energy: -29.984
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -27.500
flat angles P-C4'-P energy: -21.791
tors. eta vs tors. theta energy: -46.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -518.198495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.198495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.198495 (E_RNA)
where:
Base-Base interactions energy: -381.938
where: short stacking energy: -138.314
Base-Backbone interact. energy: -0.079
local terms energy: -136.182039
where:
bonds (distance) C4'-P energy: -21.390
bonds (distance) P-C4' energy: -24.408
flat angles C4'-P-C4' energy: -26.658
flat angles P-C4'-P energy: -18.762
tors. eta vs tors. theta energy: -44.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -503.136084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.136084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.136084 (E_RNA)
where:
Base-Base interactions energy: -368.706
where: short stacking energy: -141.865
Base-Backbone interact. energy: 0.124
local terms energy: -134.553956
where:
bonds (distance) C4'-P energy: -23.816
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -29.504
flat angles P-C4'-P energy: -19.335
tors. eta vs tors. theta energy: -43.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -506.257094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.257094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.257094 (E_RNA)
where:
Base-Base interactions energy: -375.304
where: short stacking energy: -147.980
Base-Backbone interact. energy: -0.006
local terms energy: -130.947165
where:
bonds (distance) C4'-P energy: -20.975
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -27.706
flat angles P-C4'-P energy: -19.457
tors. eta vs tors. theta energy: -46.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -559.015413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.015413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.015413 (E_RNA)
where:
Base-Base interactions energy: -413.514
where: short stacking energy: -162.818
Base-Backbone interact. energy: -0.834
local terms energy: -144.667817
where:
bonds (distance) C4'-P energy: -26.821
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -28.698
flat angles P-C4'-P energy: -21.210
tors. eta vs tors. theta energy: -46.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -553.888363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.888363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.888363 (E_RNA)
where:
Base-Base interactions energy: -397.270
where: short stacking energy: -159.191
Base-Backbone interact. energy: -1.222
local terms energy: -155.396901
where:
bonds (distance) C4'-P energy: -22.632
bonds (distance) P-C4' energy: -27.648
flat angles C4'-P-C4' energy: -34.675
flat angles P-C4'-P energy: -22.340
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: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -549.595843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.595843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.595843 (E_RNA)
where:
Base-Base interactions energy: -399.421
where: short stacking energy: -153.101
Base-Backbone interact. energy: -0.900
local terms energy: -149.274981
where:
bonds (distance) C4'-P energy: -28.458
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -27.529
flat angles P-C4'-P energy: -24.671
tors. eta vs tors. theta energy: -47.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -552.882608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.882608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.882608 (E_RNA)
where:
Base-Base interactions energy: -397.485
where: short stacking energy: -156.702
Base-Backbone interact. energy: -0.719
local terms energy: -154.678669
where:
bonds (distance) C4'-P energy: -24.818
bonds (distance) P-C4' energy: -28.165
flat angles C4'-P-C4' energy: -30.963
flat angles P-C4'-P energy: -23.562
tors. eta vs tors. theta energy: -47.171
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: 270
Temperature: 1.100000
Total energy: -533.407941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.407941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.407941 (E_RNA)
where:
Base-Base interactions energy: -391.089
where: short stacking energy: -154.320
Base-Backbone interact. energy: 1.742
local terms energy: -144.061058
where:
bonds (distance) C4'-P energy: -21.454
bonds (distance) P-C4' energy: -28.580
flat angles C4'-P-C4' energy: -31.046
flat angles P-C4'-P energy: -19.691
tors. eta vs tors. theta energy: -43.291
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: 9
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -537.702827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.702827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.702827 (E_RNA)
where:
Base-Base interactions energy: -391.198
where: short stacking energy: -156.146
Base-Backbone interact. energy: -0.012
local terms energy: -146.493424
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -30.146
flat angles C4'-P-C4' energy: -29.354
flat angles P-C4'-P energy: -23.576
tors. eta vs tors. theta energy: -45.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -525.907724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.907724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.907724 (E_RNA)
where:
Base-Base interactions energy: -384.166
where: short stacking energy: -149.645
Base-Backbone interact. energy: -1.046
local terms energy: -140.695568
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -25.802
flat angles C4'-P-C4' energy: -29.270
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: -45.014
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: 8, replica: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -515.463566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.463566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.463566 (E_RNA)
where:
Base-Base interactions energy: -379.530
where: short stacking energy: -145.481
Base-Backbone interact. energy: 1.954
local terms energy: -137.887225
where:
bonds (distance) C4'-P energy: -21.062
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -31.854
flat angles P-C4'-P energy: -18.272
tors. eta vs tors. theta energy: -47.137
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: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -490.531892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.531892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.531892 (E_RNA)
where:
Base-Base interactions energy: -361.077
where: short stacking energy: -140.096
Base-Backbone interact. energy: -0.002
local terms energy: -129.452984
where:
bonds (distance) C4'-P energy: -20.804
bonds (distance) P-C4' energy: -22.196
flat angles C4'-P-C4' energy: -26.765
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -43.572
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: 270
Temperature: 1.350000
Total energy: -502.171355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.171355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.171355 (E_RNA)
where:
Base-Base interactions energy: -367.496
where: short stacking energy: -145.840
Base-Backbone interact. energy: 0.594
local terms energy: -135.270186
where:
bonds (distance) C4'-P energy: -21.683
bonds (distance) P-C4' energy: -28.453
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -23.646
tors. eta vs tors. theta energy: -39.998
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: 1, replica: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -567.857777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.857777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.857777 (E_RNA)
where:
Base-Base interactions energy: -406.451
where: short stacking energy: -161.064
Base-Backbone interact. energy: -0.878
local terms energy: -160.529340
where:
bonds (distance) C4'-P energy: -28.857
bonds (distance) P-C4' energy: -26.980
flat angles C4'-P-C4' energy: -33.210
flat angles P-C4'-P energy: -23.658
tors. eta vs tors. theta energy: -47.824
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: 1
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -548.960066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.960066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.960066 (E_RNA)
where:
Base-Base interactions energy: -401.810
where: short stacking energy: -155.656
Base-Backbone interact. energy: -1.500
local terms energy: -145.649790
where:
bonds (distance) C4'-P energy: -21.744
bonds (distance) P-C4' energy: -25.198
flat angles C4'-P-C4' energy: -29.502
flat angles P-C4'-P energy: -22.848
tors. eta vs tors. theta energy: -46.358
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: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -547.833407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.833407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.833407 (E_RNA)
where:
Base-Base interactions energy: -394.550
where: short stacking energy: -153.236
Base-Backbone interact. energy: -1.206
local terms energy: -152.077644
where:
bonds (distance) C4'-P energy: -28.296
bonds (distance) P-C4' energy: -25.578
flat angles C4'-P-C4' energy: -32.205
flat angles P-C4'-P energy: -19.750
tors. eta vs tors. theta energy: -46.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -547.215478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.215478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.215478 (E_RNA)
where:
Base-Base interactions energy: -397.651
where: short stacking energy: -158.486
Base-Backbone interact. energy: -0.001
local terms energy: -149.563250
where:
bonds (distance) C4'-P energy: -27.743
bonds (distance) P-C4' energy: -26.241
flat angles C4'-P-C4' energy: -25.618
flat angles P-C4'-P energy: -22.382
tors. eta vs tors. theta energy: -47.580
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: 7
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -535.691724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.691724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.691724 (E_RNA)
where:
Base-Base interactions energy: -401.448
where: short stacking energy: -158.280
Base-Backbone interact. energy: -0.042
local terms energy: -134.202018
where:
bonds (distance) C4'-P energy: -22.568
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -31.151
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -43.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -533.604663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.604663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.604663 (E_RNA)
where:
Base-Base interactions energy: -388.602
where: short stacking energy: -157.070
Base-Backbone interact. energy: -0.561
local terms energy: -144.442122
where:
bonds (distance) C4'-P energy: -24.503
bonds (distance) P-C4' energy: -22.071
flat angles C4'-P-C4' energy: -28.886
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: -47.773
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: 10
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -522.225576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.225576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.225576 (E_RNA)
where:
Base-Base interactions energy: -383.419
where: short stacking energy: -158.527
Base-Backbone interact. energy: -2.059
local terms energy: -136.748133
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -30.193
flat angles C4'-P-C4' energy: -31.873
flat angles P-C4'-P energy: -16.671
tors. eta vs tors. theta energy: -47.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -515.471637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.471637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.471637 (E_RNA)
where:
Base-Base interactions energy: -379.016
where: short stacking energy: -146.400
Base-Backbone interact. energy: -0.908
local terms energy: -135.547134
where:
bonds (distance) C4'-P energy: -25.486
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -29.542
flat angles P-C4'-P energy: -19.171
tors. eta vs tors. theta energy: -45.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -501.581889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.581889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.581889 (E_RNA)
where:
Base-Base interactions energy: -369.606
where: short stacking energy: -141.310
Base-Backbone interact. energy: -0.700
local terms energy: -131.276478
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -23.156
flat angles C4'-P-C4' energy: -29.202
flat angles P-C4'-P energy: -21.606
tors. eta vs tors. theta energy: -39.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -475.281666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.281666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.281666 (E_RNA)
where:
Base-Base interactions energy: -357.147
where: short stacking energy: -130.978
Base-Backbone interact. energy: -1.018
local terms energy: -117.116895
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -27.542
flat angles C4'-P-C4' energy: -21.067
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -41.310
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: 6
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -561.909990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.909990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.909990 (E_RNA)
where:
Base-Base interactions energy: -403.686
where: short stacking energy: -156.846
Base-Backbone interact. energy: -2.166
local terms energy: -156.057913
where:
bonds (distance) C4'-P energy: -28.134
bonds (distance) P-C4' energy: -24.430
flat angles C4'-P-C4' energy: -32.151
flat angles P-C4'-P energy: -24.714
tors. eta vs tors. theta energy: -46.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -554.598282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.598282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.598282 (E_RNA)
where:
Base-Base interactions energy: -399.704
where: short stacking energy: -159.520
Base-Backbone interact. energy: -1.420
local terms energy: -153.473665
where:
bonds (distance) C4'-P energy: -26.091
bonds (distance) P-C4' energy: -27.631
flat angles C4'-P-C4' energy: -30.467
flat angles P-C4'-P energy: -23.792
tors. eta vs tors. theta energy: -45.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -546.709923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.709923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.709923 (E_RNA)
where:
Base-Base interactions energy: -396.958
where: short stacking energy: -156.524
Base-Backbone interact. energy: -1.652
local terms energy: -148.099864
where:
bonds (distance) C4'-P energy: -24.677
bonds (distance) P-C4' energy: -27.785
flat angles C4'-P-C4' energy: -27.447
flat angles P-C4'-P energy: -21.876
tors. eta vs tors. theta energy: -46.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -539.937716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.937716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.937716 (E_RNA)
where:
Base-Base interactions energy: -395.097
where: short stacking energy: -152.374
Base-Backbone interact. energy: -0.513
local terms energy: -144.328209
where:
bonds (distance) C4'-P energy: -24.090
bonds (distance) P-C4' energy: -26.856
flat angles C4'-P-C4' energy: -30.221
flat angles P-C4'-P energy: -19.668
tors. eta vs tors. theta energy: -43.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -536.463003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.463003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.463003 (E_RNA)
where:
Base-Base interactions energy: -390.909
where: short stacking energy: -146.508
Base-Backbone interact. energy: -1.136
local terms energy: -144.418753
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -25.321
flat angles C4'-P-C4' energy: -28.674
flat angles P-C4'-P energy: -24.718
tors. eta vs tors. theta energy: -46.521
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: 7
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -528.267686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.267686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.267686 (E_RNA)
where:
Base-Base interactions energy: -387.081
where: short stacking energy: -147.513
Base-Backbone interact. energy: -1.382
local terms energy: -139.804485
where:
bonds (distance) C4'-P energy: -23.652
bonds (distance) P-C4' energy: -23.753
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -20.841
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: 7, replica: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -531.351674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.351674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.351674 (E_RNA)
where:
Base-Base interactions energy: -390.002
where: short stacking energy: -152.909
Base-Backbone interact. energy: -0.123
local terms energy: -141.226746
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -23.851
flat angles C4'-P-C4' energy: -28.575
flat angles P-C4'-P energy: -19.459
tors. eta vs tors. theta energy: -46.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -513.710389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.710389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.710389 (E_RNA)
where:
Base-Base interactions energy: -375.180
where: short stacking energy: -142.470
Base-Backbone interact. energy: 0.495
local terms energy: -139.024934
where:
bonds (distance) C4'-P energy: -26.150
bonds (distance) P-C4' energy: -25.651
flat angles C4'-P-C4' energy: -27.036
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: -40.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -511.229671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.229671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.229671 (E_RNA)
where:
Base-Base interactions energy: -367.977
where: short stacking energy: -145.891
Base-Backbone interact. energy: -0.280
local terms energy: -142.972813
where:
bonds (distance) C4'-P energy: -26.009
bonds (distance) P-C4' energy: -27.162
flat angles C4'-P-C4' energy: -24.655
flat angles P-C4'-P energy: -21.872
tors. eta vs tors. theta energy: -43.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -505.753838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.753838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.753838 (E_RNA)
where:
Base-Base interactions energy: -372.144
where: short stacking energy: -143.277
Base-Backbone interact. energy: -0.180
local terms energy: -133.429152
where:
bonds (distance) C4'-P energy: -22.300
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -31.955
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -42.671
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: 1, replica: 6
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -561.412569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.412569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.412569 (E_RNA)
where:
Base-Base interactions energy: -407.678
where: short stacking energy: -160.480
Base-Backbone interact. energy: -1.089
local terms energy: -152.645397
where:
bonds (distance) C4'-P energy: -21.585
bonds (distance) P-C4' energy: -28.346
flat angles C4'-P-C4' energy: -31.830
flat angles P-C4'-P energy: -23.528
tors. eta vs tors. theta energy: -47.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -559.589740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.589740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.589740 (E_RNA)
where:
Base-Base interactions energy: -410.619
where: short stacking energy: -162.533
Base-Backbone interact. energy: -0.343
local terms energy: -148.627804
where:
bonds (distance) C4'-P energy: -24.338
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -30.505
flat angles P-C4'-P energy: -24.749
tors. eta vs tors. theta energy: -47.724
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: 273
Temperature: 1.000000
Total energy: -553.853056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.853056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.853056 (E_RNA)
where:
Base-Base interactions energy: -394.386
where: short stacking energy: -153.703
Base-Backbone interact. energy: -0.438
local terms energy: -159.028394
where:
bonds (distance) C4'-P energy: -26.867
bonds (distance) P-C4' energy: -30.400
flat angles C4'-P-C4' energy: -31.580
flat angles P-C4'-P energy: -24.124
tors. eta vs tors. theta energy: -46.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -534.245356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.245356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.245356 (E_RNA)
where:
Base-Base interactions energy: -393.176
where: short stacking energy: -154.620
Base-Backbone interact. energy: -0.324
local terms energy: -140.745497
where:
bonds (distance) C4'-P energy: -26.220
bonds (distance) P-C4' energy: -21.347
flat angles C4'-P-C4' energy: -30.211
flat angles P-C4'-P energy: -17.770
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: 5, replica: 5
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -536.875303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.875303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.875303 (E_RNA)
where:
Base-Base interactions energy: -384.767
where: short stacking energy: -146.197
Base-Backbone interact. energy: -0.653
local terms energy: -151.455036
where:
bonds (distance) C4'-P energy: -27.260
bonds (distance) P-C4' energy: -26.946
flat angles C4'-P-C4' energy: -30.064
flat angles P-C4'-P energy: -21.843
tors. eta vs tors. theta energy: -45.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -535.016002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.016002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.016002 (E_RNA)
where:
Base-Base interactions energy: -387.080
where: short stacking energy: -155.409
Base-Backbone interact. energy: -0.084
local terms energy: -147.851815
where:
bonds (distance) C4'-P energy: -27.650
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -32.404
flat angles P-C4'-P energy: -21.255
tors. eta vs tors. theta energy: -47.787
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: 7
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -524.979221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.979221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.979221 (E_RNA)
where:
Base-Base interactions energy: -390.353
where: short stacking energy: -151.895
Base-Backbone interact. energy: -0.002
local terms energy: -134.624074
where:
bonds (distance) C4'-P energy: -23.523
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -27.757
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: -47.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -517.489192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.489192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.489192 (E_RNA)
where:
Base-Base interactions energy: -384.204
where: short stacking energy: -149.723
Base-Backbone interact. energy: -0.149
local terms energy: -133.135408
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -32.886
flat angles P-C4'-P energy: -19.370
tors. eta vs tors. theta energy: -45.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -519.611076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.611076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.611076 (E_RNA)
where:
Base-Base interactions energy: -378.833
where: short stacking energy: -148.762
Base-Backbone interact. energy: -0.006
local terms energy: -140.772153
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -25.039
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -20.146
tors. eta vs tors. theta energy: -49.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -492.863937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.863937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.863937 (E_RNA)
where:
Base-Base interactions energy: -350.519
where: short stacking energy: -138.719
Base-Backbone interact. energy: -0.120
local terms energy: -142.224930
where:
bonds (distance) C4'-P energy: -28.716
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -31.214
flat angles P-C4'-P energy: -18.626
tors. eta vs tors. theta energy: -42.879
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: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -559.776923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.776923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.776923 (E_RNA)
where:
Base-Base interactions energy: -399.747
where: short stacking energy: -155.468
Base-Backbone interact. energy: -0.325
local terms energy: -159.704220
where:
bonds (distance) C4'-P energy: -29.382
bonds (distance) P-C4' energy: -29.742
flat angles C4'-P-C4' energy: -32.023
flat angles P-C4'-P energy: -19.528
tors. eta vs tors. theta energy: -49.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -553.041967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.041967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.041967 (E_RNA)
where:
Base-Base interactions energy: -399.711
where: short stacking energy: -158.887
Base-Backbone interact. energy: -1.314
local terms energy: -152.016310
where:
bonds (distance) C4'-P energy: -31.445
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -28.124
flat angles P-C4'-P energy: -21.175
tors. eta vs tors. theta energy: -47.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -549.014440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.014440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.014440 (E_RNA)
where:
Base-Base interactions energy: -412.345
where: short stacking energy: -160.672
Base-Backbone interact. energy: -0.521
local terms energy: -136.147794
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -29.806
flat angles P-C4'-P energy: -21.790
tors. eta vs tors. theta energy: -49.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -544.422703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.422703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.422703 (E_RNA)
where:
Base-Base interactions energy: -391.199
where: short stacking energy: -151.482
Base-Backbone interact. energy: -0.881
local terms energy: -152.342680
where:
bonds (distance) C4'-P energy: -28.680
bonds (distance) P-C4' energy: -30.005
flat angles C4'-P-C4' energy: -31.362
flat angles P-C4'-P energy: -19.768
tors. eta vs tors. theta energy: -42.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -541.325266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.325266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.325266 (E_RNA)
where:
Base-Base interactions energy: -392.477
where: short stacking energy: -149.726
Base-Backbone interact. energy: -0.295
local terms energy: -148.552907
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -29.685
flat angles C4'-P-C4' energy: -28.475
flat angles P-C4'-P energy: -23.333
tors. eta vs tors. theta energy: -44.022
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: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -522.850880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.850880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.850880 (E_RNA)
where:
Base-Base interactions energy: -384.236
where: short stacking energy: -153.810
Base-Backbone interact. energy: -0.205
local terms energy: -138.410379
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -27.639
flat angles C4'-P-C4' energy: -30.621
flat angles P-C4'-P energy: -19.037
tors. eta vs tors. theta energy: -42.835
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: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -528.310436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.310436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.310436 (E_RNA)
where:
Base-Base interactions energy: -384.361
where: short stacking energy: -153.139
Base-Backbone interact. energy: 0.402
local terms energy: -144.351111
where:
bonds (distance) C4'-P energy: -28.660
bonds (distance) P-C4' energy: -22.573
flat angles C4'-P-C4' energy: -26.418
flat angles P-C4'-P energy: -21.142
tors. eta vs tors. theta energy: -45.558
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: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -519.556146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.556146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.556146 (E_RNA)
where:
Base-Base interactions energy: -374.912
where: short stacking energy: -153.359
Base-Backbone interact. energy: -0.333
local terms energy: -144.310765
where:
bonds (distance) C4'-P energy: -28.394
bonds (distance) P-C4' energy: -27.411
flat angles C4'-P-C4' energy: -23.568
flat angles P-C4'-P energy: -21.670
tors. eta vs tors. theta energy: -43.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -509.238247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.238247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.238247 (E_RNA)
where:
Base-Base interactions energy: -380.070
where: short stacking energy: -147.133
Base-Backbone interact. energy: -0.014
local terms energy: -129.154327
where:
bonds (distance) C4'-P energy: -24.370
bonds (distance) P-C4' energy: -25.707
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -16.367
tors. eta vs tors. theta energy: -42.305
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: 3
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -493.966065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.966065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.966065 (E_RNA)
where:
Base-Base interactions energy: -366.843
where: short stacking energy: -136.292
Base-Backbone interact. energy: -0.414
local terms energy: -126.708830
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -22.678
flat angles C4'-P-C4' energy: -26.600
flat angles P-C4'-P energy: -19.383
tors. eta vs tors. theta energy: -39.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -561.693738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.693738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.693738 (E_RNA)
where:
Base-Base interactions energy: -402.328
where: short stacking energy: -158.418
Base-Backbone interact. energy: -0.374
local terms energy: -158.991674
where:
bonds (distance) C4'-P energy: -30.102
bonds (distance) P-C4' energy: -26.214
flat angles C4'-P-C4' energy: -34.064
flat angles P-C4'-P energy: -22.071
tors. eta vs tors. theta energy: -46.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -562.717818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.717818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.717818 (E_RNA)
where:
Base-Base interactions energy: -408.831
where: short stacking energy: -157.535
Base-Backbone interact. energy: -1.010
local terms energy: -152.876290
where:
bonds (distance) C4'-P energy: -25.665
bonds (distance) P-C4' energy: -24.582
flat angles C4'-P-C4' energy: -30.085
flat angles P-C4'-P energy: -22.724
tors. eta vs tors. theta energy: -49.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -548.520719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.520719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.520719 (E_RNA)
where:
Base-Base interactions energy: -399.963
where: short stacking energy: -155.831
Base-Backbone interact. energy: 0.195
local terms energy: -148.752180
where:
bonds (distance) C4'-P energy: -29.417
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -30.202
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -47.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -540.580290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.580290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.580290 (E_RNA)
where:
Base-Base interactions energy: -409.180
where: short stacking energy: -161.659
Base-Backbone interact. energy: -0.316
local terms energy: -131.084045
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -21.836
flat angles C4'-P-C4' energy: -27.753
flat angles P-C4'-P energy: -18.857
tors. eta vs tors. theta energy: -45.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -544.102490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.102490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.102490 (E_RNA)
where:
Base-Base interactions energy: -395.007
where: short stacking energy: -158.383
Base-Backbone interact. energy: -1.072
local terms energy: -148.023501
where:
bonds (distance) C4'-P energy: -24.968
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -31.888
flat angles P-C4'-P energy: -21.732
tors. eta vs tors. theta energy: -45.393
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: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -536.563520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.563520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.563520 (E_RNA)
where:
Base-Base interactions energy: -392.943
where: short stacking energy: -155.083
Base-Backbone interact. energy: -1.039
local terms energy: -142.581559
where:
bonds (distance) C4'-P energy: -23.241
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -31.800
flat angles P-C4'-P energy: -22.849
tors. eta vs tors. theta energy: -47.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -519.581511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.581511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.581511 (E_RNA)
where:
Base-Base interactions energy: -384.969
where: short stacking energy: -154.123
Base-Backbone interact. energy: -0.484
local terms energy: -134.128258
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -23.480
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -20.679
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: 8, replica: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -524.230072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.230072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.230072 (E_RNA)
where:
Base-Base interactions energy: -380.832
where: short stacking energy: -149.387
Base-Backbone interact. energy: -0.264
local terms energy: -143.134023
where:
bonds (distance) C4'-P energy: -22.476
bonds (distance) P-C4' energy: -29.777
flat angles C4'-P-C4' energy: -26.679
flat angles P-C4'-P energy: -19.249
tors. eta vs tors. theta energy: -44.952
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: 2
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -512.894679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.894679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.894679 (E_RNA)
where:
Base-Base interactions energy: -361.126
where: short stacking energy: -144.437
Base-Backbone interact. energy: -1.731
local terms energy: -150.037761
where:
bonds (distance) C4'-P energy: -24.349
bonds (distance) P-C4' energy: -29.296
flat angles C4'-P-C4' energy: -26.353
flat angles P-C4'-P energy: -23.945
tors. eta vs tors. theta energy: -46.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -489.042189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.042189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.042189 (E_RNA)
where:
Base-Base interactions energy: -354.228
where: short stacking energy: -139.999
Base-Backbone interact. energy: -0.037
local terms energy: -134.777422
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -26.653
flat angles C4'-P-C4' energy: -25.500
flat angles P-C4'-P energy: -21.734
tors. eta vs tors. theta energy: -45.764
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: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -569.721535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.721535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.721535 (E_RNA)
where:
Base-Base interactions energy: -415.029
where: short stacking energy: -164.413
Base-Backbone interact. energy: -0.654
local terms energy: -154.038929
where:
bonds (distance) C4'-P energy: -25.397
bonds (distance) P-C4' energy: -23.769
flat angles C4'-P-C4' energy: -31.874
flat angles P-C4'-P energy: -25.082
tors. eta vs tors. theta energy: -47.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -555.246289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.246289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.246289 (E_RNA)
where:
Base-Base interactions energy: -398.199
where: short stacking energy: -154.954
Base-Backbone interact. energy: -0.324
local terms energy: -156.723156
where:
bonds (distance) C4'-P energy: -27.670
bonds (distance) P-C4' energy: -31.000
flat angles C4'-P-C4' energy: -30.766
flat angles P-C4'-P energy: -20.745
tors. eta vs tors. theta energy: -46.543
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: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -548.043271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.043271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.043271 (E_RNA)
where:
Base-Base interactions energy: -398.858
where: short stacking energy: -154.503
Base-Backbone interact. energy: -0.010
local terms energy: -149.175456
where:
bonds (distance) C4'-P energy: -22.748
bonds (distance) P-C4' energy: -23.205
flat angles C4'-P-C4' energy: -33.420
flat angles P-C4'-P energy: -23.493
tors. eta vs tors. theta energy: -46.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -547.671145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.671145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.671145 (E_RNA)
where:
Base-Base interactions energy: -393.474
where: short stacking energy: -150.329
Base-Backbone interact. energy: -0.373
local terms energy: -153.824550
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -27.209
flat angles C4'-P-C4' energy: -29.261
flat angles P-C4'-P energy: -27.839
tors. eta vs tors. theta energy: -48.566
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: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -540.232861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.232861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.232861 (E_RNA)
where:
Base-Base interactions energy: -400.032
where: short stacking energy: -155.022
Base-Backbone interact. energy: -0.085
local terms energy: -140.115785
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -25.785
flat angles C4'-P-C4' energy: -26.841
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -46.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -543.602047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.602047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.602047 (E_RNA)
where:
Base-Base interactions energy: -391.456
where: short stacking energy: -154.900
Base-Backbone interact. energy: -0.975
local terms energy: -151.171139
where:
bonds (distance) C4'-P energy: -23.480
bonds (distance) P-C4' energy: -25.840
flat angles C4'-P-C4' energy: -32.838
flat angles P-C4'-P energy: -20.018
tors. eta vs tors. theta energy: -48.995
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: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -520.054829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.054829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.054829 (E_RNA)
where:
Base-Base interactions energy: -375.094
where: short stacking energy: -149.916
Base-Backbone interact. energy: -0.595
local terms energy: -144.365614
where:
bonds (distance) C4'-P energy: -25.142
bonds (distance) P-C4' energy: -21.840
flat angles C4'-P-C4' energy: -32.825
flat angles P-C4'-P energy: -19.864
tors. eta vs tors. theta energy: -44.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -515.487862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.487862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.487862 (E_RNA)
where:
Base-Base interactions energy: -378.024
where: short stacking energy: -148.272
Base-Backbone interact. energy: -0.579
local terms energy: -136.884768
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -27.790
flat angles C4'-P-C4' energy: -25.004
flat angles P-C4'-P energy: -19.810
tors. eta vs tors. theta energy: -42.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -505.774214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.774214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.774214 (E_RNA)
where:
Base-Base interactions energy: -371.329
where: short stacking energy: -144.588
Base-Backbone interact. energy: -0.047
local terms energy: -134.397674
where:
bonds (distance) C4'-P energy: -23.002
bonds (distance) P-C4' energy: -26.179
flat angles C4'-P-C4' energy: -25.385
flat angles P-C4'-P energy: -16.454
tors. eta vs tors. theta energy: -43.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -486.247114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.247114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.247114 (E_RNA)
where:
Base-Base interactions energy: -361.790
where: short stacking energy: -141.881
Base-Backbone interact. energy: -0.301
local terms energy: -124.155448
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -23.443
flat angles C4'-P-C4' energy: -28.167
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -37.227
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: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -565.459953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.459953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.459953 (E_RNA)
where:
Base-Base interactions energy: -406.840
where: short stacking energy: -157.336
Base-Backbone interact. energy: -1.138
local terms energy: -157.482120
where:
bonds (distance) C4'-P energy: -28.457
bonds (distance) P-C4' energy: -26.524
flat angles C4'-P-C4' energy: -32.387
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: -47.063
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: 2, replica: 6
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -558.561366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.561366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.561366 (E_RNA)
where:
Base-Base interactions energy: -400.553
where: short stacking energy: -158.532
Base-Backbone interact. energy: -0.161
local terms energy: -157.847341
where:
bonds (distance) C4'-P energy: -25.991
bonds (distance) P-C4' energy: -31.224
flat angles C4'-P-C4' energy: -29.623
flat angles P-C4'-P energy: -23.268
tors. eta vs tors. theta energy: -47.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -551.047464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.047464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.047464 (E_RNA)
where:
Base-Base interactions energy: -393.903
where: short stacking energy: -159.597
Base-Backbone interact. energy: 0.031
local terms energy: -157.174846
where:
bonds (distance) C4'-P energy: -29.256
bonds (distance) P-C4' energy: -25.932
flat angles C4'-P-C4' energy: -33.846
flat angles P-C4'-P energy: -24.394
tors. eta vs tors. theta energy: -43.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -531.314030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.314030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.314030 (E_RNA)
where:
Base-Base interactions energy: -384.089
where: short stacking energy: -146.988
Base-Backbone interact. energy: -0.739
local terms energy: -146.485379
where:
bonds (distance) C4'-P energy: -23.175
bonds (distance) P-C4' energy: -27.086
flat angles C4'-P-C4' energy: -29.903
flat angles P-C4'-P energy: -23.126
tors. eta vs tors. theta energy: -43.196
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: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -533.930760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.930760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.930760 (E_RNA)
where:
Base-Base interactions energy: -395.036
where: short stacking energy: -159.465
Base-Backbone interact. energy: -0.680
local terms energy: -138.214251
where:
bonds (distance) C4'-P energy: -21.830
bonds (distance) P-C4' energy: -23.946
flat angles C4'-P-C4' energy: -28.843
flat angles P-C4'-P energy: -20.186
tors. eta vs tors. theta energy: -43.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -520.028451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.028451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.028451 (E_RNA)
where:
Base-Base interactions energy: -383.526
where: short stacking energy: -146.536
Base-Backbone interact. energy: -0.007
local terms energy: -136.495715
where:
bonds (distance) C4'-P energy: -26.952
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -27.306
flat angles P-C4'-P energy: -19.067
tors. eta vs tors. theta energy: -42.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -511.177486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.177486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.177486 (E_RNA)
where:
Base-Base interactions energy: -378.326
where: short stacking energy: -143.267
Base-Backbone interact. energy: -0.171
local terms energy: -132.680224
where:
bonds (distance) C4'-P energy: -22.956
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -30.752
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -45.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -510.588853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.588853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.588853 (E_RNA)
where:
Base-Base interactions energy: -381.258
where: short stacking energy: -150.538
Base-Backbone interact. energy: -0.003
local terms energy: -129.327628
where:
bonds (distance) C4'-P energy: -19.274
bonds (distance) P-C4' energy: -20.994
flat angles C4'-P-C4' energy: -27.460
flat angles P-C4'-P energy: -19.397
tors. eta vs tors. theta energy: -42.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -500.839019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.839019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.839019 (E_RNA)
where:
Base-Base interactions energy: -373.586
where: short stacking energy: -151.079
Base-Backbone interact. energy: -0.117
local terms energy: -127.136027
where:
bonds (distance) C4'-P energy: -19.986
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -27.595
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -41.172
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: 2
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -484.117317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.117317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.117317 (E_RNA)
where:
Base-Base interactions energy: -357.241
where: short stacking energy: -138.692
Base-Backbone interact. energy: -0.031
local terms energy: -126.846052
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -24.086
flat angles C4'-P-C4' energy: -26.337
flat angles P-C4'-P energy: -15.163
tors. eta vs tors. theta energy: -40.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -561.060604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.060604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.060604 (E_RNA)
where:
Base-Base interactions energy: -404.972
where: short stacking energy: -158.608
Base-Backbone interact. energy: -0.914
local terms energy: -155.174147
where:
bonds (distance) C4'-P energy: -26.027
bonds (distance) P-C4' energy: -30.866
flat angles C4'-P-C4' energy: -27.316
flat angles P-C4'-P energy: -23.397
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: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -565.994746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.994746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.994746 (E_RNA)
where:
Base-Base interactions energy: -408.727
where: short stacking energy: -162.948
Base-Backbone interact. energy: -0.808
local terms energy: -156.459798
where:
bonds (distance) C4'-P energy: -25.960
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -32.432
flat angles P-C4'-P energy: -25.821
tors. eta vs tors. theta energy: -48.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -542.483325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.483325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.483325 (E_RNA)
where:
Base-Base interactions energy: -390.971
where: short stacking energy: -159.503
Base-Backbone interact. energy: -1.144
local terms energy: -150.368251
where:
bonds (distance) C4'-P energy: -28.906
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -30.308
flat angles P-C4'-P energy: -23.870
tors. eta vs tors. theta energy: -46.388
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: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -548.440526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.440526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.440526 (E_RNA)
where:
Base-Base interactions energy: -397.143
where: short stacking energy: -158.051
Base-Backbone interact. energy: -1.378
local terms energy: -149.919182
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -31.262
flat angles C4'-P-C4' energy: -30.487
flat angles P-C4'-P energy: -23.303
tors. eta vs tors. theta energy: -46.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -535.738326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.738326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.738326 (E_RNA)
where:
Base-Base interactions energy: -387.188
where: short stacking energy: -153.652
Base-Backbone interact. energy: -0.413
local terms energy: -148.137359
where:
bonds (distance) C4'-P energy: -25.775
bonds (distance) P-C4' energy: -25.303
flat angles C4'-P-C4' energy: -24.405
flat angles P-C4'-P energy: -26.624
tors. eta vs tors. theta energy: -46.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -519.200231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.200231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.200231 (E_RNA)
where:
Base-Base interactions energy: -378.261
where: short stacking energy: -150.804
Base-Backbone interact. energy: -0.002
local terms energy: -140.937909
where:
bonds (distance) C4'-P energy: -25.502
bonds (distance) P-C4' energy: -25.778
flat angles C4'-P-C4' energy: -28.025
flat angles P-C4'-P energy: -15.632
tors. eta vs tors. theta energy: -46.001
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: 7, replica: 3
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -517.295015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.295015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.295015 (E_RNA)
where:
Base-Base interactions energy: -375.485
where: short stacking energy: -142.809
Base-Backbone interact. energy: -0.929
local terms energy: -140.880809
where:
bonds (distance) C4'-P energy: -22.829
bonds (distance) P-C4' energy: -22.675
flat angles C4'-P-C4' energy: -30.111
flat angles P-C4'-P energy: -21.634
tors. eta vs tors. theta energy: -43.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -520.321064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.321064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.321064 (E_RNA)
where:
Base-Base interactions energy: -382.488
where: short stacking energy: -148.667
Base-Backbone interact. energy: -1.910
local terms energy: -135.922963
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -24.525
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -19.249
tors. eta vs tors. theta energy: -45.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -498.962733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.962733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.962733 (E_RNA)
where:
Base-Base interactions energy: -374.179
where: short stacking energy: -140.986
Base-Backbone interact. energy: -0.538
local terms energy: -124.245857
where:
bonds (distance) C4'-P energy: -24.511
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -21.488
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -45.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -489.756197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.756197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.756197 (E_RNA)
where:
Base-Base interactions energy: -372.134
where: short stacking energy: -149.868
Base-Backbone interact. energy: -0.009
local terms energy: -117.613316
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -21.141
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: -43.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -557.537861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.537861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.537861 (E_RNA)
where:
Base-Base interactions energy: -404.409
where: short stacking energy: -159.275
Base-Backbone interact. energy: -1.905
local terms energy: -151.224292
where:
bonds (distance) C4'-P energy: -27.518
bonds (distance) P-C4' energy: -27.267
flat angles C4'-P-C4' energy: -29.475
flat angles P-C4'-P energy: -22.911
tors. eta vs tors. theta energy: -44.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -549.442135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.442135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.442135 (E_RNA)
where:
Base-Base interactions energy: -398.116
where: short stacking energy: -155.186
Base-Backbone interact. energy: 0.509
local terms energy: -151.834517
where:
bonds (distance) C4'-P energy: -29.146
bonds (distance) P-C4' energy: -26.104
flat angles C4'-P-C4' energy: -28.357
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -47.260
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: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -546.995992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.995992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.995992 (E_RNA)
where:
Base-Base interactions energy: -388.092
where: short stacking energy: -151.536
Base-Backbone interact. energy: -0.865
local terms energy: -158.039004
where:
bonds (distance) C4'-P energy: -27.293
bonds (distance) P-C4' energy: -30.937
flat angles C4'-P-C4' energy: -29.217
flat angles P-C4'-P energy: -24.701
tors. eta vs tors. theta energy: -45.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -541.654565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.654565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.654565 (E_RNA)
where:
Base-Base interactions energy: -386.103
where: short stacking energy: -154.577
Base-Backbone interact. energy: -0.001
local terms energy: -155.550945
where:
bonds (distance) C4'-P energy: -29.053
bonds (distance) P-C4' energy: -31.748
flat angles C4'-P-C4' energy: -26.541
flat angles P-C4'-P energy: -22.060
tors. eta vs tors. theta energy: -46.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -537.847584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.847584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.847584 (E_RNA)
where:
Base-Base interactions energy: -386.822
where: short stacking energy: -155.764
Base-Backbone interact. energy: -0.036
local terms energy: -150.989493
where:
bonds (distance) C4'-P energy: -29.139
bonds (distance) P-C4' energy: -23.627
flat angles C4'-P-C4' energy: -29.649
flat angles P-C4'-P energy: -23.168
tors. eta vs tors. theta energy: -45.406
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: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -528.981598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.981598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.981598 (E_RNA)
where:
Base-Base interactions energy: -380.887
where: short stacking energy: -150.377
Base-Backbone interact. energy: -0.102
local terms energy: -147.993368
where:
bonds (distance) C4'-P energy: -25.815
bonds (distance) P-C4' energy: -28.473
flat angles C4'-P-C4' energy: -28.024
flat angles P-C4'-P energy: -22.204
tors. eta vs tors. theta energy: -43.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -515.725493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.725493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.725493 (E_RNA)
where:
Base-Base interactions energy: -373.466
where: short stacking energy: -152.148
Base-Backbone interact. energy: -0.434
local terms energy: -141.825857
where:
bonds (distance) C4'-P energy: -22.303
bonds (distance) P-C4' energy: -25.134
flat angles C4'-P-C4' energy: -30.391
flat angles P-C4'-P energy: -20.265
tors. eta vs tors. theta energy: -43.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -503.820688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.820688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.820688 (E_RNA)
where:
Base-Base interactions energy: -377.181
where: short stacking energy: -148.652
Base-Backbone interact. energy: -1.041
local terms energy: -125.599633
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -32.666
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -44.140
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: 9, replica: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -512.114206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.114206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.114206 (E_RNA)
where:
Base-Base interactions energy: -375.419
where: short stacking energy: -145.483
Base-Backbone interact. energy: -0.009
local terms energy: -136.685718
where:
bonds (distance) C4'-P energy: -23.238
bonds (distance) P-C4' energy: -23.568
flat angles C4'-P-C4' energy: -27.986
flat angles P-C4'-P energy: -17.533
tors. eta vs tors. theta energy: -44.359
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: 10, replica: 2
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -484.549391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.549391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.549391 (E_RNA)
where:
Base-Base interactions energy: -354.878
where: short stacking energy: -135.918
Base-Backbone interact. energy: -0.243
local terms energy: -129.428153
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -28.814
flat angles P-C4'-P energy: -19.519
tors. eta vs tors. theta energy: -40.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -563.706557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.706557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.706557 (E_RNA)
where:
Base-Base interactions energy: -407.698
where: short stacking energy: -163.221
Base-Backbone interact. energy: -0.429
local terms energy: -155.579545
where:
bonds (distance) C4'-P energy: -28.316
bonds (distance) P-C4' energy: -28.651
flat angles C4'-P-C4' energy: -31.943
flat angles P-C4'-P energy: -17.401
tors. eta vs tors. theta energy: -49.269
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: 6
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -553.053928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.053928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.053928 (E_RNA)
where:
Base-Base interactions energy: -395.515
where: short stacking energy: -155.295
Base-Backbone interact. energy: -0.200
local terms energy: -157.339250
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -32.001
flat angles C4'-P-C4' energy: -27.797
flat angles P-C4'-P energy: -22.973
tors. eta vs tors. theta energy: -50.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -542.362739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.362739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.362739 (E_RNA)
where:
Base-Base interactions energy: -395.477
where: short stacking energy: -159.497
Base-Backbone interact. energy: -0.005
local terms energy: -146.881017
where:
bonds (distance) C4'-P energy: -26.160
bonds (distance) P-C4' energy: -25.487
flat angles C4'-P-C4' energy: -27.971
flat angles P-C4'-P energy: -22.740
tors. eta vs tors. theta energy: -44.524
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: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -534.973710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.973710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.973710 (E_RNA)
where:
Base-Base interactions energy: -392.199
where: short stacking energy: -154.027
Base-Backbone interact. energy: -0.924
local terms energy: -141.850490
where:
bonds (distance) C4'-P energy: -26.477
bonds (distance) P-C4' energy: -18.593
flat angles C4'-P-C4' energy: -32.098
flat angles P-C4'-P energy: -19.757
tors. eta vs tors. theta energy: -44.925
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: 280
Temperature: 1.100000
Total energy: -542.227806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.227806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.227806 (E_RNA)
where:
Base-Base interactions energy: -395.150
where: short stacking energy: -161.458
Base-Backbone interact. energy: -0.518
local terms energy: -146.560482
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -25.011
flat angles C4'-P-C4' energy: -33.086
flat angles P-C4'-P energy: -22.622
tors. eta vs tors. theta energy: -45.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -534.942686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.942686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.942686 (E_RNA)
where:
Base-Base interactions energy: -388.835
where: short stacking energy: -150.323
Base-Backbone interact. energy: -0.754
local terms energy: -145.353603
where:
bonds (distance) C4'-P energy: -29.400
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -29.067
flat angles P-C4'-P energy: -19.940
tors. eta vs tors. theta energy: -44.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -521.280711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.280711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.280711 (E_RNA)
where:
Base-Base interactions energy: -386.872
where: short stacking energy: -151.288
Base-Backbone interact. energy: -0.349
local terms energy: -134.060309
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -24.962
flat angles P-C4'-P energy: -20.825
tors. eta vs tors. theta energy: -45.918
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: 10
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -523.355569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.355569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.355569 (E_RNA)
where:
Base-Base interactions energy: -382.450
where: short stacking energy: -148.381
Base-Backbone interact. energy: -0.064
local terms energy: -140.840863
where:
bonds (distance) C4'-P energy: -25.123
bonds (distance) P-C4' energy: -23.872
flat angles C4'-P-C4' energy: -28.257
flat angles P-C4'-P energy: -18.166
tors. eta vs tors. theta energy: -45.422
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: 2
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -495.965774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.965774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.965774 (E_RNA)
where:
Base-Base interactions energy: -356.711
where: short stacking energy: -137.682
Base-Backbone interact. energy: 0.091
local terms energy: -139.345753
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -28.008
flat angles C4'-P-C4' energy: -28.535
flat angles P-C4'-P energy: -21.893
tors. eta vs tors. theta energy: -42.299
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: 10, replica: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -489.363765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.363765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.363765 (E_RNA)
where:
Base-Base interactions energy: -356.408
where: short stacking energy: -141.465
Base-Backbone interact. energy: -0.025
local terms energy: -132.930514
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -22.921
flat angles C4'-P-C4' energy: -29.990
flat angles P-C4'-P energy: -19.155
tors. eta vs tors. theta energy: -43.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -564.678279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.678279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.678279 (E_RNA)
where:
Base-Base interactions energy: -400.513
where: short stacking energy: -157.333
Base-Backbone interact. energy: -2.023
local terms energy: -162.141989
where:
bonds (distance) C4'-P energy: -29.025
bonds (distance) P-C4' energy: -29.399
flat angles C4'-P-C4' energy: -32.797
flat angles P-C4'-P energy: -24.416
tors. eta vs tors. theta energy: -46.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -552.077064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.077064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.077064 (E_RNA)
where:
Base-Base interactions energy: -403.359
where: short stacking energy: -158.306
Base-Backbone interact. energy: -0.519
local terms energy: -148.198692
where:
bonds (distance) C4'-P energy: -24.305
bonds (distance) P-C4' energy: -27.607
flat angles C4'-P-C4' energy: -26.439
flat angles P-C4'-P energy: -23.475
tors. eta vs tors. theta energy: -46.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -546.524673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.524673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.524673 (E_RNA)
where:
Base-Base interactions energy: -400.348
where: short stacking energy: -154.101
Base-Backbone interact. energy: -0.709
local terms energy: -145.467529
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -23.930
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -26.019
tors. eta vs tors. theta energy: -45.770
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: 281
Temperature: 1.050000
Total energy: -537.006149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.006149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.006149 (E_RNA)
where:
Base-Base interactions energy: -384.629
where: short stacking energy: -150.522
Base-Backbone interact. energy: -0.007
local terms energy: -152.370234
where:
bonds (distance) C4'-P energy: -27.649
bonds (distance) P-C4' energy: -23.155
flat angles C4'-P-C4' energy: -29.765
flat angles P-C4'-P energy: -22.817
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: 5, replica: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -536.694981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.694981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.694981 (E_RNA)
where:
Base-Base interactions energy: -392.237
where: short stacking energy: -154.087
Base-Backbone interact. energy: -0.582
local terms energy: -143.875861
where:
bonds (distance) C4'-P energy: -26.562
bonds (distance) P-C4' energy: -27.166
flat angles C4'-P-C4' energy: -26.902
flat angles P-C4'-P energy: -19.840
tors. eta vs tors. theta energy: -43.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -526.298783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.298783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.298783 (E_RNA)
where:
Base-Base interactions energy: -380.885
where: short stacking energy: -149.212
Base-Backbone interact. energy: -0.122
local terms energy: -145.291359
where:
bonds (distance) C4'-P energy: -25.694
bonds (distance) P-C4' energy: -24.722
flat angles C4'-P-C4' energy: -29.803
flat angles P-C4'-P energy: -20.965
tors. eta vs tors. theta energy: -44.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -519.727551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.727551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.727551 (E_RNA)
where:
Base-Base interactions energy: -376.714
where: short stacking energy: -150.204
Base-Backbone interact. energy: -0.754
local terms energy: -142.260055
where:
bonds (distance) C4'-P energy: -24.234
bonds (distance) P-C4' energy: -20.588
flat angles C4'-P-C4' energy: -31.599
flat angles P-C4'-P energy: -20.360
tors. eta vs tors. theta energy: -45.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -523.931744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.931744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.931744 (E_RNA)
where:
Base-Base interactions energy: -384.905
where: short stacking energy: -147.708
Base-Backbone interact. energy: -0.986
local terms energy: -138.041183
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -25.865
flat angles P-C4'-P energy: -25.993
tors. eta vs tors. theta energy: -43.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -499.055883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.055883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.055883 (E_RNA)
where:
Base-Base interactions energy: -352.846
where: short stacking energy: -133.345
Base-Backbone interact. energy: -0.243
local terms energy: -145.967133
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -26.417
flat angles C4'-P-C4' energy: -25.094
flat angles P-C4'-P energy: -24.708
tors. eta vs tors. theta energy: -46.400
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: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -497.622760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.622760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.622760 (E_RNA)
where:
Base-Base interactions energy: -357.565
where: short stacking energy: -139.656
Base-Backbone interact. energy: -0.118
local terms energy: -139.940229
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -30.020
flat angles C4'-P-C4' energy: -25.511
flat angles P-C4'-P energy: -20.507
tors. eta vs tors. theta energy: -44.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -556.104514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.104514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.104514 (E_RNA)
where:
Base-Base interactions energy: -400.184
where: short stacking energy: -156.925
Base-Backbone interact. energy: -1.439
local terms energy: -154.481499
where:
bonds (distance) C4'-P energy: -22.876
bonds (distance) P-C4' energy: -27.568
flat angles C4'-P-C4' energy: -31.543
flat angles P-C4'-P energy: -26.671
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: 2, replica: 6
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -547.543382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.543382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.543382 (E_RNA)
where:
Base-Base interactions energy: -402.371
where: short stacking energy: -160.021
Base-Backbone interact. energy: -2.310
local terms energy: -142.862036
where:
bonds (distance) C4'-P energy: -26.204
bonds (distance) P-C4' energy: -25.682
flat angles C4'-P-C4' energy: -24.914
flat angles P-C4'-P energy: -23.020
tors. eta vs tors. theta energy: -43.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -551.766147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.766147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.766147 (E_RNA)
where:
Base-Base interactions energy: -401.253
where: short stacking energy: -156.524
Base-Backbone interact. energy: -0.154
local terms energy: -150.359051
where:
bonds (distance) C4'-P energy: -20.948
bonds (distance) P-C4' energy: -22.665
flat angles C4'-P-C4' energy: -33.453
flat angles P-C4'-P energy: -25.069
tors. eta vs tors. theta energy: -48.224
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: 1
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -548.127021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.127021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.127021 (E_RNA)
where:
Base-Base interactions energy: -392.135
where: short stacking energy: -155.746
Base-Backbone interact. energy: -0.280
local terms energy: -155.711763
where:
bonds (distance) C4'-P energy: -25.637
bonds (distance) P-C4' energy: -27.663
flat angles C4'-P-C4' energy: -33.085
flat angles P-C4'-P energy: -22.279
tors. eta vs tors. theta energy: -47.048
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: 4
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -543.135070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.135070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.135070 (E_RNA)
where:
Base-Base interactions energy: -387.215
where: short stacking energy: -152.359
Base-Backbone interact. energy: -0.535
local terms energy: -155.384819
where:
bonds (distance) C4'-P energy: -24.610
bonds (distance) P-C4' energy: -31.082
flat angles C4'-P-C4' energy: -29.600
flat angles P-C4'-P energy: -23.403
tors. eta vs tors. theta energy: -46.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -522.907216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.907216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.907216 (E_RNA)
where:
Base-Base interactions energy: -378.309
where: short stacking energy: -145.457
Base-Backbone interact. energy: -0.358
local terms energy: -144.239980
where:
bonds (distance) C4'-P energy: -25.552
bonds (distance) P-C4' energy: -25.797
flat angles C4'-P-C4' energy: -28.757
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -46.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -526.952902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.952902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.952902 (E_RNA)
where:
Base-Base interactions energy: -388.418
where: short stacking energy: -153.430
Base-Backbone interact. energy: -0.601
local terms energy: -137.934104
where:
bonds (distance) C4'-P energy: -24.747
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -28.326
flat angles P-C4'-P energy: -18.057
tors. eta vs tors. theta energy: -47.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -507.068436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.068436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.068436 (E_RNA)
where:
Base-Base interactions energy: -373.324
where: short stacking energy: -144.359
Base-Backbone interact. energy: 1.198
local terms energy: -134.942069
where:
bonds (distance) C4'-P energy: -19.080
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -29.116
flat angles P-C4'-P energy: -19.844
tors. eta vs tors. theta energy: -43.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -498.523491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.523491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.523491 (E_RNA)
where:
Base-Base interactions energy: -364.059
where: short stacking energy: -139.631
Base-Backbone interact. energy: 1.840
local terms energy: -136.304315
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -24.540
flat angles C4'-P-C4' energy: -31.072
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -46.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -512.489822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.489822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.489822 (E_RNA)
where:
Base-Base interactions energy: -373.683
where: short stacking energy: -140.724
Base-Backbone interact. energy: -0.136
local terms energy: -138.670409
where:
bonds (distance) C4'-P energy: -25.069
bonds (distance) P-C4' energy: -24.041
flat angles C4'-P-C4' energy: -25.637
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -44.318
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: 283
Temperature: 0.900000
Total energy: -560.751630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.751630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.751630 (E_RNA)
where:
Base-Base interactions energy: -408.879
where: short stacking energy: -162.696
Base-Backbone interact. energy: -0.022
local terms energy: -151.850037
where:
bonds (distance) C4'-P energy: -23.993
bonds (distance) P-C4' energy: -28.127
flat angles C4'-P-C4' energy: -28.234
flat angles P-C4'-P energy: -24.751
tors. eta vs tors. theta energy: -46.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -557.849571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.849571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.849571 (E_RNA)
where:
Base-Base interactions energy: -403.224
where: short stacking energy: -161.491
Base-Backbone interact. energy: -0.617
local terms energy: -154.009054
where:
bonds (distance) C4'-P energy: -23.255
bonds (distance) P-C4' energy: -28.122
flat angles C4'-P-C4' energy: -30.368
flat angles P-C4'-P energy: -23.475
tors. eta vs tors. theta energy: -48.789
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: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -545.992506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.992506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.992506 (E_RNA)
where:
Base-Base interactions energy: -398.442
where: short stacking energy: -154.281
Base-Backbone interact. energy: -0.076
local terms energy: -147.474770
where:
bonds (distance) C4'-P energy: -29.007
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -30.339
flat angles P-C4'-P energy: -18.914
tors. eta vs tors. theta energy: -48.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -537.519461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.519461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.519461 (E_RNA)
where:
Base-Base interactions energy: -385.623
where: short stacking energy: -152.594
Base-Backbone interact. energy: -0.645
local terms energy: -151.251504
where:
bonds (distance) C4'-P energy: -25.190
bonds (distance) P-C4' energy: -25.810
flat angles C4'-P-C4' energy: -27.385
flat angles P-C4'-P energy: -26.174
tors. eta vs tors. theta energy: -46.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -542.602313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.602313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.602313 (E_RNA)
where:
Base-Base interactions energy: -398.021
where: short stacking energy: -152.479
Base-Backbone interact. energy: -0.406
local terms energy: -144.175864
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -28.038
flat angles C4'-P-C4' energy: -24.833
flat angles P-C4'-P energy: -25.330
tors. eta vs tors. theta energy: -48.034
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: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -532.458669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.458669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.458669 (E_RNA)
where:
Base-Base interactions energy: -384.979
where: short stacking energy: -155.036
Base-Backbone interact. energy: -0.513
local terms energy: -146.967382
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -29.154
flat angles C4'-P-C4' energy: -30.991
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: -47.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -518.213515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.213515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.213515 (E_RNA)
where:
Base-Base interactions energy: -373.906
where: short stacking energy: -141.820
Base-Backbone interact. energy: 0.282
local terms energy: -144.589694
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -29.968
flat angles C4'-P-C4' energy: -27.122
flat angles P-C4'-P energy: -24.726
tors. eta vs tors. theta energy: -42.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -506.661980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.661980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.661980 (E_RNA)
where:
Base-Base interactions energy: -374.751
where: short stacking energy: -147.129
Base-Backbone interact. energy: -0.328
local terms energy: -131.583569
where:
bonds (distance) C4'-P energy: -19.662
bonds (distance) P-C4' energy: -21.982
flat angles C4'-P-C4' energy: -28.193
flat angles P-C4'-P energy: -15.717
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: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -505.762382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.762382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.762382 (E_RNA)
where:
Base-Base interactions energy: -363.309
where: short stacking energy: -139.769
Base-Backbone interact. energy: -0.754
local terms energy: -141.699904
where:
bonds (distance) C4'-P energy: -24.147
bonds (distance) P-C4' energy: -24.870
flat angles C4'-P-C4' energy: -30.902
flat angles P-C4'-P energy: -20.625
tors. eta vs tors. theta energy: -41.156
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: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -494.553206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.553206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.553206 (E_RNA)
where:
Base-Base interactions energy: -359.458
where: short stacking energy: -138.127
Base-Backbone interact. energy: -0.588
local terms energy: -134.506905
where:
bonds (distance) C4'-P energy: -24.105
bonds (distance) P-C4' energy: -18.799
flat angles C4'-P-C4' energy: -27.068
flat angles P-C4'-P energy: -21.589
tors. eta vs tors. theta energy: -42.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -562.178808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.178808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.178808 (E_RNA)
where:
Base-Base interactions energy: -407.615
where: short stacking energy: -157.550
Base-Backbone interact. energy: -0.596
local terms energy: -153.967161
where:
bonds (distance) C4'-P energy: -29.215
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -31.018
flat angles P-C4'-P energy: -20.138
tors. eta vs tors. theta energy: -46.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -554.926859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.926859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.926859 (E_RNA)
where:
Base-Base interactions energy: -401.401
where: short stacking energy: -157.652
Base-Backbone interact. energy: -1.450
local terms energy: -152.075252
where:
bonds (distance) C4'-P energy: -24.423
bonds (distance) P-C4' energy: -28.934
flat angles C4'-P-C4' energy: -27.595
flat angles P-C4'-P energy: -25.402
tors. eta vs tors. theta energy: -45.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -559.309547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.309547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.309547 (E_RNA)
where:
Base-Base interactions energy: -400.896
where: short stacking energy: -159.724
Base-Backbone interact. energy: -1.541
local terms energy: -156.872672
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -29.101
flat angles C4'-P-C4' energy: -32.893
flat angles P-C4'-P energy: -25.746
tors. eta vs tors. theta energy: -46.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -532.135364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.135364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.135364 (E_RNA)
where:
Base-Base interactions energy: -391.727
where: short stacking energy: -147.295
Base-Backbone interact. energy: -0.141
local terms energy: -140.267420
where:
bonds (distance) C4'-P energy: -25.555
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -29.391
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -45.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -533.202327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.202327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.202327 (E_RNA)
where:
Base-Base interactions energy: -380.617
where: short stacking energy: -153.622
Base-Backbone interact. energy: 0.638
local terms energy: -153.223457
where:
bonds (distance) C4'-P energy: -27.730
bonds (distance) P-C4' energy: -28.536
flat angles C4'-P-C4' energy: -30.838
flat angles P-C4'-P energy: -21.715
tors. eta vs tors. theta energy: -44.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -533.578500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.578500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.578500 (E_RNA)
where:
Base-Base interactions energy: -389.765
where: short stacking energy: -147.518
Base-Backbone interact. energy: -1.585
local terms energy: -142.228006
where:
bonds (distance) C4'-P energy: -23.949
bonds (distance) P-C4' energy: -25.226
flat angles C4'-P-C4' energy: -24.658
flat angles P-C4'-P energy: -20.573
tors. eta vs tors. theta energy: -47.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -523.366236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.366236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.366236 (E_RNA)
where:
Base-Base interactions energy: -385.625
where: short stacking energy: -151.157
Base-Backbone interact. energy: -1.067
local terms energy: -136.673996
where:
bonds (distance) C4'-P energy: -21.754
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -28.772
flat angles P-C4'-P energy: -18.714
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: 8, replica: 2
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -517.224326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.224326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.224326 (E_RNA)
where:
Base-Base interactions energy: -372.051
where: short stacking energy: -146.487
Base-Backbone interact. energy: -0.525
local terms energy: -144.647951
where:
bonds (distance) C4'-P energy: -27.036
bonds (distance) P-C4' energy: -27.688
flat angles C4'-P-C4' energy: -27.713
flat angles P-C4'-P energy: -19.325
tors. eta vs tors. theta energy: -42.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -501.225848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.225848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.225848 (E_RNA)
where:
Base-Base interactions energy: -375.099
where: short stacking energy: -149.998
Base-Backbone interact. energy: -0.014
local terms energy: -126.112912
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -27.786
flat angles P-C4'-P energy: -17.907
tors. eta vs tors. theta energy: -44.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -495.938140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.938140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.938140 (E_RNA)
where:
Base-Base interactions energy: -356.944
where: short stacking energy: -137.181
Base-Backbone interact. energy: -0.730
local terms energy: -138.264057
where:
bonds (distance) C4'-P energy: -25.772
bonds (distance) P-C4' energy: -24.643
flat angles C4'-P-C4' energy: -29.489
flat angles P-C4'-P energy: -18.804
tors. eta vs tors. theta energy: -39.555
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: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -561.317751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.317751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.317751 (E_RNA)
where:
Base-Base interactions energy: -398.758
where: short stacking energy: -157.496
Base-Backbone interact. energy: -1.046
local terms energy: -161.513820
where:
bonds (distance) C4'-P energy: -30.873
bonds (distance) P-C4' energy: -28.703
flat angles C4'-P-C4' energy: -32.657
flat angles P-C4'-P energy: -21.770
tors. eta vs tors. theta energy: -47.511
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: 6
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -557.342582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.342582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.342582 (E_RNA)
where:
Base-Base interactions energy: -397.289
where: short stacking energy: -157.897
Base-Backbone interact. energy: -0.820
local terms energy: -159.233444
where:
bonds (distance) C4'-P energy: -31.249
bonds (distance) P-C4' energy: -27.768
flat angles C4'-P-C4' energy: -29.321
flat angles P-C4'-P energy: -22.661
tors. eta vs tors. theta energy: -48.234
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: 3, replica: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -550.282699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.282699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.282699 (E_RNA)
where:
Base-Base interactions energy: -399.836
where: short stacking energy: -154.354
Base-Backbone interact. energy: -0.344
local terms energy: -150.102720
where:
bonds (distance) C4'-P energy: -24.582
bonds (distance) P-C4' energy: -27.017
flat angles C4'-P-C4' energy: -33.108
flat angles P-C4'-P energy: -19.450
tors. eta vs tors. theta energy: -45.945
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: 1
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -541.004450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.004450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.004450 (E_RNA)
where:
Base-Base interactions energy: -389.446
where: short stacking energy: -148.060
Base-Backbone interact. energy: -0.445
local terms energy: -151.113725
where:
bonds (distance) C4'-P energy: -28.145
bonds (distance) P-C4' energy: -25.017
flat angles C4'-P-C4' energy: -32.039
flat angles P-C4'-P energy: -21.192
tors. eta vs tors. theta energy: -44.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -540.792390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.792390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.792390 (E_RNA)
where:
Base-Base interactions energy: -388.270
where: short stacking energy: -149.518
Base-Backbone interact. energy: -1.757
local terms energy: -150.765185
where:
bonds (distance) C4'-P energy: -27.921
bonds (distance) P-C4' energy: -25.109
flat angles C4'-P-C4' energy: -31.973
flat angles P-C4'-P energy: -21.281
tors. eta vs tors. theta energy: -44.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -538.303147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.303147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.303147 (E_RNA)
where:
Base-Base interactions energy: -386.261
where: short stacking energy: -149.660
Base-Backbone interact. energy: -0.427
local terms energy: -151.615241
where:
bonds (distance) C4'-P energy: -26.344
bonds (distance) P-C4' energy: -28.047
flat angles C4'-P-C4' energy: -24.985
flat angles P-C4'-P energy: -23.739
tors. eta vs tors. theta energy: -48.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -526.477181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.477181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.477181 (E_RNA)
where:
Base-Base interactions energy: -381.257
where: short stacking energy: -144.494
Base-Backbone interact. energy: -2.100
local terms energy: -143.119717
where:
bonds (distance) C4'-P energy: -28.569
bonds (distance) P-C4' energy: -22.266
flat angles C4'-P-C4' energy: -26.437
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -47.725
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: 285
Temperature: 1.250000
Total energy: -511.505830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.505830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.505830 (E_RNA)
where:
Base-Base interactions energy: -382.299
where: short stacking energy: -146.741
Base-Backbone interact. energy: -1.328
local terms energy: -127.879656
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -19.318
flat angles C4'-P-C4' energy: -25.439
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: -42.474
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: 2
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -518.778805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.778805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.778805 (E_RNA)
where:
Base-Base interactions energy: -378.508
where: short stacking energy: -144.348
Base-Backbone interact. energy: -0.191
local terms energy: -140.080098
where:
bonds (distance) C4'-P energy: -24.743
bonds (distance) P-C4' energy: -24.178
flat angles C4'-P-C4' energy: -26.961
flat angles P-C4'-P energy: -17.381
tors. eta vs tors. theta energy: -46.817
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: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -476.415035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.415035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.415035 (E_RNA)
where:
Base-Base interactions energy: -340.413
where: short stacking energy: -138.337
Base-Backbone interact. energy: -0.086
local terms energy: -135.915742
where:
bonds (distance) C4'-P energy: -27.603
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -26.256
flat angles P-C4'-P energy: -22.211
tors. eta vs tors. theta energy: -40.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -568.934785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.934785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.934785 (E_RNA)
where:
Base-Base interactions energy: -411.452
where: short stacking energy: -160.013
Base-Backbone interact. energy: -0.203
local terms energy: -157.280428
where:
bonds (distance) C4'-P energy: -29.434
bonds (distance) P-C4' energy: -25.311
flat angles C4'-P-C4' energy: -32.713
flat angles P-C4'-P energy: -20.196
tors. eta vs tors. theta energy: -49.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -559.521324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.521324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.521324 (E_RNA)
where:
Base-Base interactions energy: -407.416
where: short stacking energy: -156.968
Base-Backbone interact. energy: -0.685
local terms energy: -151.420942
where:
bonds (distance) C4'-P energy: -26.745
bonds (distance) P-C4' energy: -27.605
flat angles C4'-P-C4' energy: -27.309
flat angles P-C4'-P energy: -22.432
tors. eta vs tors. theta energy: -47.330
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: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -551.521862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.521862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.521862 (E_RNA)
where:
Base-Base interactions energy: -395.382
where: short stacking energy: -157.939
Base-Backbone interact. energy: -0.342
local terms energy: -155.798339
where:
bonds (distance) C4'-P energy: -31.659
bonds (distance) P-C4' energy: -25.418
flat angles C4'-P-C4' energy: -29.961
flat angles P-C4'-P energy: -19.941
tors. eta vs tors. theta energy: -48.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -539.717433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.717433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.717433 (E_RNA)
where:
Base-Base interactions energy: -388.196
where: short stacking energy: -152.811
Base-Backbone interact. energy: -0.675
local terms energy: -150.846457
where:
bonds (distance) C4'-P energy: -23.725
bonds (distance) P-C4' energy: -23.111
flat angles C4'-P-C4' energy: -33.465
flat angles P-C4'-P energy: -25.987
tors. eta vs tors. theta energy: -44.559
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: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -537.163065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.163065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.163065 (E_RNA)
where:
Base-Base interactions energy: -388.930
where: short stacking energy: -148.897
Base-Backbone interact. energy: -0.006
local terms energy: -148.226776
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -26.890
flat angles C4'-P-C4' energy: -30.440
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: -47.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -522.652218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.652218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.652218 (E_RNA)
where:
Base-Base interactions energy: -375.877
where: short stacking energy: -149.014
Base-Backbone interact. energy: -0.050
local terms energy: -146.725002
where:
bonds (distance) C4'-P energy: -26.581
bonds (distance) P-C4' energy: -24.754
flat angles C4'-P-C4' energy: -25.222
flat angles P-C4'-P energy: -24.595
tors. eta vs tors. theta energy: -45.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -498.160812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.160812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.160812 (E_RNA)
where:
Base-Base interactions energy: -355.042
where: short stacking energy: -135.216
Base-Backbone interact. energy: -0.029
local terms energy: -143.090377
where:
bonds (distance) C4'-P energy: -23.070
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -31.836
flat angles P-C4'-P energy: -20.779
tors. eta vs tors. theta energy: -43.840
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: 3
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -504.875943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.875943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.875943 (E_RNA)
where:
Base-Base interactions energy: -366.791
where: short stacking energy: -139.577
Base-Backbone interact. energy: -0.488
local terms energy: -137.597571
where:
bonds (distance) C4'-P energy: -25.207
bonds (distance) P-C4' energy: -20.800
flat angles C4'-P-C4' energy: -27.381
flat angles P-C4'-P energy: -20.127
tors. eta vs tors. theta energy: -44.083
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: 286
Temperature: 1.300000
Total energy: -494.713084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.713084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.713084 (E_RNA)
where:
Base-Base interactions energy: -360.537
where: short stacking energy: -140.271
Base-Backbone interact. energy: -0.337
local terms energy: -133.838794
where:
bonds (distance) C4'-P energy: -20.888
bonds (distance) P-C4' energy: -24.968
flat angles C4'-P-C4' energy: -28.578
flat angles P-C4'-P energy: -17.558
tors. eta vs tors. theta energy: -41.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -496.938791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.938791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.938791 (E_RNA)
where:
Base-Base interactions energy: -371.970
where: short stacking energy: -137.261
Base-Backbone interact. energy: -1.767
local terms energy: -123.202314
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -25.422
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -42.651
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: 6
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -556.022911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.022911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.022911 (E_RNA)
where:
Base-Base interactions energy: -406.281
where: short stacking energy: -157.168
Base-Backbone interact. energy: -0.925
local terms energy: -148.817683
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -30.090
flat angles C4'-P-C4' energy: -28.385
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -45.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -555.861680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.861680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.861680 (E_RNA)
where:
Base-Base interactions energy: -406.076
where: short stacking energy: -162.301
Base-Backbone interact. energy: -1.005
local terms energy: -148.780390
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -27.033
flat angles C4'-P-C4' energy: -29.713
flat angles P-C4'-P energy: -23.809
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: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -548.380943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.380943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.380943 (E_RNA)
where:
Base-Base interactions energy: -391.808
where: short stacking energy: -150.602
Base-Backbone interact. energy: -0.266
local terms energy: -156.307384
where:
bonds (distance) C4'-P energy: -26.966
bonds (distance) P-C4' energy: -28.944
flat angles C4'-P-C4' energy: -30.953
flat angles P-C4'-P energy: -21.546
tors. eta vs tors. theta energy: -47.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -549.797196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.797196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.797196 (E_RNA)
where:
Base-Base interactions energy: -403.645
where: short stacking energy: -160.113
Base-Backbone interact. energy: -1.815
local terms energy: -144.336685
where:
bonds (distance) C4'-P energy: -27.102
bonds (distance) P-C4' energy: -27.293
flat angles C4'-P-C4' energy: -24.489
flat angles P-C4'-P energy: -19.127
tors. eta vs tors. theta energy: -46.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -528.276161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.276161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.276161 (E_RNA)
where:
Base-Base interactions energy: -380.696
where: short stacking energy: -145.766
Base-Backbone interact. energy: -0.269
local terms energy: -147.311478
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -24.599
flat angles C4'-P-C4' energy: -30.779
flat angles P-C4'-P energy: -21.188
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: 6, replica: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -506.903257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.903257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.903257 (E_RNA)
where:
Base-Base interactions energy: -366.273
where: short stacking energy: -147.211
Base-Backbone interact. energy: -0.004
local terms energy: -140.625995
where:
bonds (distance) C4'-P energy: -24.284
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -31.948
flat angles P-C4'-P energy: -22.105
tors. eta vs tors. theta energy: -43.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -515.965437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.965437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.965437 (E_RNA)
where:
Base-Base interactions energy: -382.577
where: short stacking energy: -148.952
Base-Backbone interact. energy: 0.082
local terms energy: -133.470294
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -28.963
flat angles P-C4'-P energy: -23.398
tors. eta vs tors. theta energy: -43.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -506.404970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.404970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.404970 (E_RNA)
where:
Base-Base interactions energy: -367.622
where: short stacking energy: -145.317
Base-Backbone interact. energy: -0.051
local terms energy: -138.732050
where:
bonds (distance) C4'-P energy: -22.547
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -25.782
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -45.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -510.850890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.850890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.850890 (E_RNA)
where:
Base-Base interactions energy: -370.934
where: short stacking energy: -142.520
Base-Backbone interact. energy: -0.001
local terms energy: -139.915889
where:
bonds (distance) C4'-P energy: -20.549
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -32.225
flat angles P-C4'-P energy: -19.698
tors. eta vs tors. theta energy: -44.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -479.645170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.645170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.645170 (E_RNA)
where:
Base-Base interactions energy: -348.105
where: short stacking energy: -131.585
Base-Backbone interact. energy: -0.002
local terms energy: -131.538777
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -27.315
flat angles P-C4'-P energy: -18.703
tors. eta vs tors. theta energy: -41.873
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: 288
Temperature: 0.900000
Total energy: -563.187740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.187740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.187740 (E_RNA)
where:
Base-Base interactions energy: -405.674
where: short stacking energy: -159.381
Base-Backbone interact. energy: -0.650
local terms energy: -156.863203
where:
bonds (distance) C4'-P energy: -29.836
bonds (distance) P-C4' energy: -27.058
flat angles C4'-P-C4' energy: -30.571
flat angles P-C4'-P energy: -21.732
tors. eta vs tors. theta energy: -47.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -560.881080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.881080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.881080 (E_RNA)
where:
Base-Base interactions energy: -406.481
where: short stacking energy: -161.538
Base-Backbone interact. energy: -0.635
local terms energy: -153.765219
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -31.338
flat angles C4'-P-C4' energy: -29.509
flat angles P-C4'-P energy: -20.075
tors. eta vs tors. theta energy: -46.473
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: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -558.672777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.672777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.672777 (E_RNA)
where:
Base-Base interactions energy: -401.189
where: short stacking energy: -155.162
Base-Backbone interact. energy: -1.440
local terms energy: -156.044319
where:
bonds (distance) C4'-P energy: -27.888
bonds (distance) P-C4' energy: -31.866
flat angles C4'-P-C4' energy: -29.421
flat angles P-C4'-P energy: -22.669
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: 7
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -546.949584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.949584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.949584 (E_RNA)
where:
Base-Base interactions energy: -398.822
where: short stacking energy: -153.351
Base-Backbone interact. energy: -1.074
local terms energy: -147.053676
where:
bonds (distance) C4'-P energy: -22.754
bonds (distance) P-C4' energy: -27.194
flat angles C4'-P-C4' energy: -31.033
flat angles P-C4'-P energy: -20.929
tors. eta vs tors. theta energy: -45.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -536.846253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.846253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.846253 (E_RNA)
where:
Base-Base interactions energy: -389.631
where: short stacking energy: -158.580
Base-Backbone interact. energy: -0.042
local terms energy: -147.172695
where:
bonds (distance) C4'-P energy: -27.749
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -27.655
flat angles P-C4'-P energy: -23.420
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: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -518.599444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.599444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.599444 (E_RNA)
where:
Base-Base interactions energy: -369.802
where: short stacking energy: -142.362
Base-Backbone interact. energy: 0.663
local terms energy: -149.460075
where:
bonds (distance) C4'-P energy: -25.025
bonds (distance) P-C4' energy: -31.359
flat angles C4'-P-C4' energy: -28.216
flat angles P-C4'-P energy: -21.822
tors. eta vs tors. theta energy: -43.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -520.189035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.189035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.189035 (E_RNA)
where:
Base-Base interactions energy: -385.663
where: short stacking energy: -145.529
Base-Backbone interact. energy: -0.029
local terms energy: -134.497700
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -30.831
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -45.690
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: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -510.219531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.219531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.219531 (E_RNA)
where:
Base-Base interactions energy: -376.282
where: short stacking energy: -147.691
Base-Backbone interact. energy: -0.057
local terms energy: -133.881203
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -24.396
flat angles C4'-P-C4' energy: -31.345
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -46.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -500.815930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.815930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.815930 (E_RNA)
where:
Base-Base interactions energy: -354.124
where: short stacking energy: -129.191
Base-Backbone interact. energy: -0.674
local terms energy: -146.017623
where:
bonds (distance) C4'-P energy: -28.809
bonds (distance) P-C4' energy: -23.546
flat angles C4'-P-C4' energy: -29.282
flat angles P-C4'-P energy: -19.924
tors. eta vs tors. theta energy: -44.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -501.284728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.284728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.284728 (E_RNA)
where:
Base-Base interactions energy: -368.647
where: short stacking energy: -151.077
Base-Backbone interact. energy: -0.001
local terms energy: -132.636518
where:
bonds (distance) C4'-P energy: -22.465
bonds (distance) P-C4' energy: -23.649
flat angles C4'-P-C4' energy: -25.430
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -44.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -564.622193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.622193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.622193 (E_RNA)
where:
Base-Base interactions energy: -404.652
where: short stacking energy: -156.019
Base-Backbone interact. energy: -0.009
local terms energy: -159.961977
where:
bonds (distance) C4'-P energy: -31.188
bonds (distance) P-C4' energy: -28.453
flat angles C4'-P-C4' energy: -31.731
flat angles P-C4'-P energy: -20.720
tors. eta vs tors. theta energy: -47.869
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: 2, replica: 6
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -556.549523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.549523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.549523 (E_RNA)
where:
Base-Base interactions energy: -403.282
where: short stacking energy: -157.568
Base-Backbone interact. energy: -0.782
local terms energy: -152.485861
where:
bonds (distance) C4'-P energy: -26.591
bonds (distance) P-C4' energy: -20.171
flat angles C4'-P-C4' energy: -35.515
flat angles P-C4'-P energy: -22.061
tors. eta vs tors. theta energy: -48.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -547.742714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.742714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.742714 (E_RNA)
where:
Base-Base interactions energy: -395.782
where: short stacking energy: -158.782
Base-Backbone interact. energy: -0.327
local terms energy: -151.633385
where:
bonds (distance) C4'-P energy: -22.772
bonds (distance) P-C4' energy: -24.426
flat angles C4'-P-C4' energy: -30.772
flat angles P-C4'-P energy: -24.549
tors. eta vs tors. theta energy: -49.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -544.113229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.113229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.113229 (E_RNA)
where:
Base-Base interactions energy: -393.443
where: short stacking energy: -152.648
Base-Backbone interact. energy: -0.006
local terms energy: -150.664104
where:
bonds (distance) C4'-P energy: -24.482
bonds (distance) P-C4' energy: -25.866
flat angles C4'-P-C4' energy: -31.591
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: -46.432
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: 289
Temperature: 1.100000
Total energy: -541.275498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.275498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.275498 (E_RNA)
where:
Base-Base interactions energy: -394.419
where: short stacking energy: -152.415
Base-Backbone interact. energy: -0.001
local terms energy: -146.855176
where:
bonds (distance) C4'-P energy: -27.756
bonds (distance) P-C4' energy: -24.687
flat angles C4'-P-C4' energy: -28.621
flat angles P-C4'-P energy: -22.633
tors. eta vs tors. theta energy: -43.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -527.161657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.161657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.161657 (E_RNA)
where:
Base-Base interactions energy: -377.838
where: short stacking energy: -154.060
Base-Backbone interact. energy: -0.023
local terms energy: -149.300498
where:
bonds (distance) C4'-P energy: -24.408
bonds (distance) P-C4' energy: -26.712
flat angles C4'-P-C4' energy: -31.378
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: -47.544
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: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -514.420758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.420758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.420758 (E_RNA)
where:
Base-Base interactions energy: -371.744
where: short stacking energy: -143.873
Base-Backbone interact. energy: -0.047
local terms energy: -142.629816
where:
bonds (distance) C4'-P energy: -29.536
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -28.841
flat angles P-C4'-P energy: -22.758
tors. eta vs tors. theta energy: -40.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -519.528475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.528475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.528475 (E_RNA)
where:
Base-Base interactions energy: -376.322
where: short stacking energy: -143.873
Base-Backbone interact. energy: -0.425
local terms energy: -142.781175
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -22.639
flat angles C4'-P-C4' energy: -28.610
flat angles P-C4'-P energy: -21.853
tors. eta vs tors. theta energy: -46.977
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: 9, replica: 2
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -504.985661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.985661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.985661 (E_RNA)
where:
Base-Base interactions energy: -365.879
where: short stacking energy: -139.337
Base-Backbone interact. energy: 0.197
local terms energy: -139.303578
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -26.415
flat angles C4'-P-C4' energy: -25.859
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -43.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -481.883188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.883188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.883188 (E_RNA)
where:
Base-Base interactions energy: -345.465
where: short stacking energy: -133.533
Base-Backbone interact. energy: -0.019
local terms energy: -136.399964
where:
bonds (distance) C4'-P energy: -28.650
bonds (distance) P-C4' energy: -27.129
flat angles C4'-P-C4' energy: -25.606
flat angles P-C4'-P energy: -11.401
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: 1, replica: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -564.102462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.102462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.102462 (E_RNA)
where:
Base-Base interactions energy: -405.150
where: short stacking energy: -159.260
Base-Backbone interact. energy: -0.004
local terms energy: -158.948442
where:
bonds (distance) C4'-P energy: -29.744
bonds (distance) P-C4' energy: -29.780
flat angles C4'-P-C4' energy: -29.076
flat angles P-C4'-P energy: -24.044
tors. eta vs tors. theta energy: -46.305
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: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -551.962683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.962683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.962683 (E_RNA)
where:
Base-Base interactions energy: -401.266
where: short stacking energy: -160.559
Base-Backbone interact. energy: -0.186
local terms energy: -150.510189
where:
bonds (distance) C4'-P energy: -22.736
bonds (distance) P-C4' energy: -31.980
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -25.156
tors. eta vs tors. theta energy: -47.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -547.621530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.621530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.621530 (E_RNA)
where:
Base-Base interactions energy: -396.408
where: short stacking energy: -151.139
Base-Backbone interact. energy: -0.004
local terms energy: -151.209748
where:
bonds (distance) C4'-P energy: -24.292
bonds (distance) P-C4' energy: -29.064
flat angles C4'-P-C4' energy: -30.654
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -46.118
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: 1
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -546.701671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.701671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.701671 (E_RNA)
where:
Base-Base interactions energy: -400.410
where: short stacking energy: -158.361
Base-Backbone interact. energy: 1.175
local terms energy: -147.466702
where:
bonds (distance) C4'-P energy: -23.954
bonds (distance) P-C4' energy: -28.423
flat angles C4'-P-C4' energy: -27.997
flat angles P-C4'-P energy: -19.007
tors. eta vs tors. theta energy: -48.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -536.710017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.710017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.710017 (E_RNA)
where:
Base-Base interactions energy: -388.892
where: short stacking energy: -152.001
Base-Backbone interact. energy: -0.872
local terms energy: -146.945660
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -27.835
flat angles C4'-P-C4' energy: -31.168
flat angles P-C4'-P energy: -20.005
tors. eta vs tors. theta energy: -45.042
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: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -527.995814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.995814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.995814 (E_RNA)
where:
Base-Base interactions energy: -383.877
where: short stacking energy: -148.981
Base-Backbone interact. energy: -1.211
local terms energy: -142.907854
where:
bonds (distance) C4'-P energy: -24.785
bonds (distance) P-C4' energy: -22.106
flat angles C4'-P-C4' energy: -30.735
flat angles P-C4'-P energy: -24.873
tors. eta vs tors. theta energy: -40.408
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: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -514.463769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.463769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.463769 (E_RNA)
where:
Base-Base interactions energy: -370.401
where: short stacking energy: -148.058
Base-Backbone interact. energy: -0.297
local terms energy: -143.766652
where:
bonds (distance) C4'-P energy: -26.166
bonds (distance) P-C4' energy: -27.183
flat angles C4'-P-C4' energy: -27.106
flat angles P-C4'-P energy: -20.124
tors. eta vs tors. theta energy: -43.188
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: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -513.639736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.639736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.639736 (E_RNA)
where:
Base-Base interactions energy: -385.434
where: short stacking energy: -140.129
Base-Backbone interact. energy: -1.135
local terms energy: -127.071353
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -28.556
flat angles P-C4'-P energy: -17.788
tors. eta vs tors. theta energy: -43.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -509.705603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.705603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.705603 (E_RNA)
where:
Base-Base interactions energy: -369.340
where: short stacking energy: -144.803
Base-Backbone interact. energy: -0.074
local terms energy: -140.291838
where:
bonds (distance) C4'-P energy: -30.378
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -28.152
flat angles P-C4'-P energy: -20.717
tors. eta vs tors. theta energy: -42.008
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: 10, replica: 2
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -490.717185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.717185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.717185 (E_RNA)
where:
Base-Base interactions energy: -353.588
where: short stacking energy: -141.550
Base-Backbone interact. energy: -0.390
local terms energy: -136.739249
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -25.847
flat angles C4'-P-C4' energy: -28.050
flat angles P-C4'-P energy: -23.513
tors. eta vs tors. theta energy: -46.684
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: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -560.564166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.564166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.564166 (E_RNA)
where:
Base-Base interactions energy: -402.911
where: short stacking energy: -157.530
Base-Backbone interact. energy: -0.001
local terms energy: -157.652048
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -27.565
flat angles C4'-P-C4' energy: -33.899
flat angles P-C4'-P energy: -25.223
tors. eta vs tors. theta energy: -47.108
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: 6
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -556.922760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.922760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.922760 (E_RNA)
where:
Base-Base interactions energy: -393.283
where: short stacking energy: -155.533
Base-Backbone interact. energy: 0.122
local terms energy: -163.761425
where:
bonds (distance) C4'-P energy: -29.463
bonds (distance) P-C4' energy: -28.311
flat angles C4'-P-C4' energy: -32.127
flat angles P-C4'-P energy: -25.647
tors. eta vs tors. theta energy: -48.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -540.250154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.250154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.250154 (E_RNA)
where:
Base-Base interactions energy: -400.944
where: short stacking energy: -156.384
Base-Backbone interact. energy: -0.002
local terms energy: -139.304058
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -24.642
flat angles C4'-P-C4' energy: -30.198
flat angles P-C4'-P energy: -20.098
tors. eta vs tors. theta energy: -43.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -543.463665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.463665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.463665 (E_RNA)
where:
Base-Base interactions energy: -389.193
where: short stacking energy: -152.000
Base-Backbone interact. energy: -1.504
local terms energy: -152.767126
where:
bonds (distance) C4'-P energy: -30.581
bonds (distance) P-C4' energy: -24.692
flat angles C4'-P-C4' energy: -27.748
flat angles P-C4'-P energy: -22.171
tors. eta vs tors. theta energy: -47.575
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: 4
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -539.510691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.510691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.510691 (E_RNA)
where:
Base-Base interactions energy: -392.809
where: short stacking energy: -155.514
Base-Backbone interact. energy: -1.284
local terms energy: -145.417332
where:
bonds (distance) C4'-P energy: -25.771
bonds (distance) P-C4' energy: -21.040
flat angles C4'-P-C4' energy: -25.658
flat angles P-C4'-P energy: -26.190
tors. eta vs tors. theta energy: -46.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -528.185527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.185527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.185527 (E_RNA)
where:
Base-Base interactions energy: -385.691
where: short stacking energy: -144.468
Base-Backbone interact. energy: 0.198
local terms energy: -142.692887
where:
bonds (distance) C4'-P energy: -29.835
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -28.730
flat angles P-C4'-P energy: -18.230
tors. eta vs tors. theta energy: -45.539
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: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -508.103366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.103366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.103366 (E_RNA)
where:
Base-Base interactions energy: -371.525
where: short stacking energy: -147.692
Base-Backbone interact. energy: -0.078
local terms energy: -136.500649
where:
bonds (distance) C4'-P energy: -27.872
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -26.823
flat angles P-C4'-P energy: -20.688
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: 8, replica: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -521.799486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.799486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.799486 (E_RNA)
where:
Base-Base interactions energy: -381.423
where: short stacking energy: -146.501
Base-Backbone interact. energy: -1.977
local terms energy: -138.399077
where:
bonds (distance) C4'-P energy: -22.575
bonds (distance) P-C4' energy: -21.251
flat angles C4'-P-C4' energy: -27.516
flat angles P-C4'-P energy: -20.309
tors. eta vs tors. theta energy: -46.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -492.086065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.086065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.086065 (E_RNA)
where:
Base-Base interactions energy: -356.924
where: short stacking energy: -127.788
Base-Backbone interact. energy: -0.561
local terms energy: -134.600487
where:
bonds (distance) C4'-P energy: -26.574
bonds (distance) P-C4' energy: -20.776
flat angles C4'-P-C4' energy: -27.091
flat angles P-C4'-P energy: -19.779
tors. eta vs tors. theta energy: -40.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -501.607420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.607420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.607420 (E_RNA)
where:
Base-Base interactions energy: -365.274
where: short stacking energy: -138.942
Base-Backbone interact. energy: 0.464
local terms energy: -136.797036
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -33.115
flat angles P-C4'-P energy: -19.624
tors. eta vs tors. theta energy: -49.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -563.621412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.621412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.621412 (E_RNA)
where:
Base-Base interactions energy: -414.052
where: short stacking energy: -163.650
Base-Backbone interact. energy: -0.414
local terms energy: -149.155018
where:
bonds (distance) C4'-P energy: -25.037
bonds (distance) P-C4' energy: -24.636
flat angles C4'-P-C4' energy: -31.135
flat angles P-C4'-P energy: -23.828
tors. eta vs tors. theta energy: -44.519
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: 6
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -553.407317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.407317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.407317 (E_RNA)
where:
Base-Base interactions energy: -408.911
where: short stacking energy: -161.896
Base-Backbone interact. energy: -0.042
local terms energy: -144.454135
where:
bonds (distance) C4'-P energy: -23.414
bonds (distance) P-C4' energy: -25.157
flat angles C4'-P-C4' energy: -29.300
flat angles P-C4'-P energy: -21.802
tors. eta vs tors. theta energy: -44.781
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: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -551.582539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.582539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.582539 (E_RNA)
where:
Base-Base interactions energy: -398.571
where: short stacking energy: -153.359
Base-Backbone interact. energy: -0.423
local terms energy: -152.588157
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -30.023
flat angles C4'-P-C4' energy: -29.136
flat angles P-C4'-P energy: -23.597
tors. eta vs tors. theta energy: -49.495
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: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -543.866935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.866935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.866935 (E_RNA)
where:
Base-Base interactions energy: -399.638
where: short stacking energy: -155.105
Base-Backbone interact. energy: -0.567
local terms energy: -143.661923
where:
bonds (distance) C4'-P energy: -28.837
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -29.446
flat angles P-C4'-P energy: -23.784
tors. eta vs tors. theta energy: -42.691
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: 4
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -543.849193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.849193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.849193 (E_RNA)
where:
Base-Base interactions energy: -386.631
where: short stacking energy: -153.877
Base-Backbone interact. energy: -2.097
local terms energy: -155.121388
where:
bonds (distance) C4'-P energy: -26.151
bonds (distance) P-C4' energy: -29.570
flat angles C4'-P-C4' energy: -30.549
flat angles P-C4'-P energy: -23.247
tors. eta vs tors. theta energy: -45.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -531.110156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.110156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.110156 (E_RNA)
where:
Base-Base interactions energy: -379.535
where: short stacking energy: -149.490
Base-Backbone interact. energy: -0.140
local terms energy: -151.435599
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -25.003
flat angles C4'-P-C4' energy: -30.735
flat angles P-C4'-P energy: -25.682
tors. eta vs tors. theta energy: -46.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -511.822060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.822060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.822060 (E_RNA)
where:
Base-Base interactions energy: -373.329
where: short stacking energy: -146.024
Base-Backbone interact. energy: -1.178
local terms energy: -137.314480
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -25.472
flat angles C4'-P-C4' energy: -26.626
flat angles P-C4'-P energy: -17.640
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: 8, replica: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -504.563259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.563259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.563259 (E_RNA)
where:
Base-Base interactions energy: -361.451
where: short stacking energy: -141.239
Base-Backbone interact. energy: -0.008
local terms energy: -143.104653
where:
bonds (distance) C4'-P energy: -27.056
bonds (distance) P-C4' energy: -26.763
flat angles C4'-P-C4' energy: -26.239
flat angles P-C4'-P energy: -22.345
tors. eta vs tors. theta energy: -40.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -500.037186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.037186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.037186 (E_RNA)
where:
Base-Base interactions energy: -374.535
where: short stacking energy: -143.530
Base-Backbone interact. energy: -0.393
local terms energy: -125.109288
where:
bonds (distance) C4'-P energy: -21.390
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -18.915
tors. eta vs tors. theta energy: -44.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -480.627245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.627245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.627245 (E_RNA)
where:
Base-Base interactions energy: -338.606
where: short stacking energy: -136.078
Base-Backbone interact. energy: -0.226
local terms energy: -141.795986
where:
bonds (distance) C4'-P energy: -27.680
bonds (distance) P-C4' energy: -25.659
flat angles C4'-P-C4' energy: -29.988
flat angles P-C4'-P energy: -19.538
tors. eta vs tors. theta energy: -38.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -564.175433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.175433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.175433 (E_RNA)
where:
Base-Base interactions energy: -408.979
where: short stacking energy: -158.506
Base-Backbone interact. energy: -0.497
local terms energy: -154.699239
where:
bonds (distance) C4'-P energy: -24.859
bonds (distance) P-C4' energy: -27.827
flat angles C4'-P-C4' energy: -30.951
flat angles P-C4'-P energy: -24.113
tors. eta vs tors. theta energy: -46.950
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: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -550.662635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.662635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.662635 (E_RNA)
where:
Base-Base interactions energy: -402.990
where: short stacking energy: -155.814
Base-Backbone interact. energy: -0.686
local terms energy: -146.986019
where:
bonds (distance) C4'-P energy: -20.415
bonds (distance) P-C4' energy: -29.688
flat angles C4'-P-C4' energy: -30.059
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: -47.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -550.928664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.928664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.928664 (E_RNA)
where:
Base-Base interactions energy: -402.723
where: short stacking energy: -156.514
Base-Backbone interact. energy: -0.304
local terms energy: -147.901316
where:
bonds (distance) C4'-P energy: -30.146
bonds (distance) P-C4' energy: -23.760
flat angles C4'-P-C4' energy: -26.014
flat angles P-C4'-P energy: -23.778
tors. eta vs tors. theta energy: -44.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -534.712571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.712571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.712571 (E_RNA)
where:
Base-Base interactions energy: -383.821
where: short stacking energy: -148.631
Base-Backbone interact. energy: -0.033
local terms energy: -150.859060
where:
bonds (distance) C4'-P energy: -21.609
bonds (distance) P-C4' energy: -33.435
flat angles C4'-P-C4' energy: -29.490
flat angles P-C4'-P energy: -19.161
tors. eta vs tors. theta energy: -47.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -542.199145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.199145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.199145 (E_RNA)
where:
Base-Base interactions energy: -387.036
where: short stacking energy: -156.487
Base-Backbone interact. energy: -0.405
local terms energy: -154.758117
where:
bonds (distance) C4'-P energy: -25.420
bonds (distance) P-C4' energy: -25.907
flat angles C4'-P-C4' energy: -32.167
flat angles P-C4'-P energy: -24.805
tors. eta vs tors. theta energy: -46.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -521.572602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.572602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.572602 (E_RNA)
where:
Base-Base interactions energy: -372.941
where: short stacking energy: -151.128
Base-Backbone interact. energy: 0.076
local terms energy: -148.707452
where:
bonds (distance) C4'-P energy: -22.856
bonds (distance) P-C4' energy: -29.941
flat angles C4'-P-C4' energy: -32.063
flat angles P-C4'-P energy: -20.825
tors. eta vs tors. theta energy: -43.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -519.003585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.003585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.003585 (E_RNA)
where:
Base-Base interactions energy: -376.793
where: short stacking energy: -146.342
Base-Backbone interact. energy: -0.002
local terms energy: -142.208528
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -27.772
flat angles C4'-P-C4' energy: -29.020
flat angles P-C4'-P energy: -19.793
tors. eta vs tors. theta energy: -43.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -521.968587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.968587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.968587 (E_RNA)
where:
Base-Base interactions energy: -376.347
where: short stacking energy: -141.420
Base-Backbone interact. energy: -0.089
local terms energy: -145.532155
where:
bonds (distance) C4'-P energy: -28.240
bonds (distance) P-C4' energy: -25.655
flat angles C4'-P-C4' energy: -31.497
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: -44.493
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: 3
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -506.501718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.501718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.501718 (E_RNA)
where:
Base-Base interactions energy: -369.426
where: short stacking energy: -147.592
Base-Backbone interact. energy: -0.012
local terms energy: -137.063980
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -25.190
flat angles C4'-P-C4' energy: -32.549
flat angles P-C4'-P energy: -21.402
tors. eta vs tors. theta energy: -45.628
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: 2
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -505.442046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.442046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.442046 (E_RNA)
where:
Base-Base interactions energy: -365.943
where: short stacking energy: -139.910
Base-Backbone interact. energy: -0.825
local terms energy: -138.673726
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -27.436
flat angles C4'-P-C4' energy: -30.557
flat angles P-C4'-P energy: -19.695
tors. eta vs tors. theta energy: -43.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -562.589734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.589734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.589734 (E_RNA)
where:
Base-Base interactions energy: -404.969
where: short stacking energy: -159.963
Base-Backbone interact. energy: -0.666
local terms energy: -156.954748
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -30.612
flat angles C4'-P-C4' energy: -29.630
flat angles P-C4'-P energy: -24.037
tors. eta vs tors. theta energy: -49.155
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: 2, replica: 5
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -564.595075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.595075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.595075 (E_RNA)
where:
Base-Base interactions energy: -403.653
where: short stacking energy: -161.679
Base-Backbone interact. energy: -1.616
local terms energy: -159.326686
where:
bonds (distance) C4'-P energy: -26.638
bonds (distance) P-C4' energy: -28.445
flat angles C4'-P-C4' energy: -32.258
flat angles P-C4'-P energy: -22.846
tors. eta vs tors. theta energy: -49.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -553.080829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.080829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.080829 (E_RNA)
where:
Base-Base interactions energy: -399.416
where: short stacking energy: -157.611
Base-Backbone interact. energy: -0.246
local terms energy: -153.418124
where:
bonds (distance) C4'-P energy: -27.228
bonds (distance) P-C4' energy: -24.403
flat angles C4'-P-C4' energy: -30.763
flat angles P-C4'-P energy: -23.232
tors. eta vs tors. theta energy: -47.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -542.104280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.104280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.104280 (E_RNA)
where:
Base-Base interactions energy: -391.179
where: short stacking energy: -156.792
Base-Backbone interact. energy: -0.002
local terms energy: -150.923203
where:
bonds (distance) C4'-P energy: -26.141
bonds (distance) P-C4' energy: -21.932
flat angles C4'-P-C4' energy: -33.831
flat angles P-C4'-P energy: -22.992
tors. eta vs tors. theta energy: -46.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -543.063593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.063593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.063593 (E_RNA)
where:
Base-Base interactions energy: -394.163
where: short stacking energy: -155.183
Base-Backbone interact. energy: -0.676
local terms energy: -148.224861
where:
bonds (distance) C4'-P energy: -24.064
bonds (distance) P-C4' energy: -29.002
flat angles C4'-P-C4' energy: -26.591
flat angles P-C4'-P energy: -23.514
tors. eta vs tors. theta energy: -45.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -520.188547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.188547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.188547 (E_RNA)
where:
Base-Base interactions energy: -380.747
where: short stacking energy: -151.596
Base-Backbone interact. energy: -0.006
local terms energy: -139.435671
where:
bonds (distance) C4'-P energy: -25.856
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -30.102
flat angles P-C4'-P energy: -22.024
tors. eta vs tors. theta energy: -40.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -525.977634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.977634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.977634 (E_RNA)
where:
Base-Base interactions energy: -380.655
where: short stacking energy: -147.913
Base-Backbone interact. energy: -0.490
local terms energy: -144.832899
where:
bonds (distance) C4'-P energy: -22.273
bonds (distance) P-C4' energy: -19.357
flat angles C4'-P-C4' energy: -29.550
flat angles P-C4'-P energy: -25.162
tors. eta vs tors. theta energy: -48.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -513.354495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.354495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.354495 (E_RNA)
where:
Base-Base interactions energy: -375.239
where: short stacking energy: -142.587
Base-Backbone interact. energy: -0.005
local terms energy: -138.110791
where:
bonds (distance) C4'-P energy: -20.022
bonds (distance) P-C4' energy: -29.893
flat angles C4'-P-C4' energy: -25.699
flat angles P-C4'-P energy: -15.535
tors. eta vs tors. theta energy: -46.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -507.910776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.910776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.910776 (E_RNA)
where:
Base-Base interactions energy: -377.140
where: short stacking energy: -140.861
Base-Backbone interact. energy: -0.034
local terms energy: -130.735887
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -19.137
flat angles C4'-P-C4' energy: -25.331
flat angles P-C4'-P energy: -21.918
tors. eta vs tors. theta energy: -43.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -493.241450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.241450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.241450 (E_RNA)
where:
Base-Base interactions energy: -369.182
where: short stacking energy: -136.555
Base-Backbone interact. energy: -0.062
local terms energy: -123.997264
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -22.484
flat angles C4'-P-C4' energy: -28.457
flat angles P-C4'-P energy: -19.157
tors. eta vs tors. theta energy: -38.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -566.662770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.662770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.662770 (E_RNA)
where:
Base-Base interactions energy: -414.304
where: short stacking energy: -161.764
Base-Backbone interact. energy: -0.771
local terms energy: -151.588107
where:
bonds (distance) C4'-P energy: -29.274
bonds (distance) P-C4' energy: -22.115
flat angles C4'-P-C4' energy: -30.398
flat angles P-C4'-P energy: -23.308
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: 2, replica: 5
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -554.604515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.604515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.604515 (E_RNA)
where:
Base-Base interactions energy: -402.720
where: short stacking energy: -161.331
Base-Backbone interact. energy: -0.156
local terms energy: -151.727766
where:
bonds (distance) C4'-P energy: -26.799
bonds (distance) P-C4' energy: -24.894
flat angles C4'-P-C4' energy: -28.158
flat angles P-C4'-P energy: -24.512
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: 3, replica: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -555.218730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.218730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.218730 (E_RNA)
where:
Base-Base interactions energy: -399.587
where: short stacking energy: -155.913
Base-Backbone interact. energy: -2.091
local terms energy: -153.540481
where:
bonds (distance) C4'-P energy: -27.316
bonds (distance) P-C4' energy: -25.347
flat angles C4'-P-C4' energy: -30.978
flat angles P-C4'-P energy: -24.867
tors. eta vs tors. theta energy: -45.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -546.899785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.899785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.899785 (E_RNA)
where:
Base-Base interactions energy: -395.314
where: short stacking energy: -154.200
Base-Backbone interact. energy: -0.220
local terms energy: -151.366047
where:
bonds (distance) C4'-P energy: -26.319
bonds (distance) P-C4' energy: -27.271
flat angles C4'-P-C4' energy: -32.380
flat angles P-C4'-P energy: -20.607
tors. eta vs tors. theta energy: -44.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -535.846930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.846930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.846930 (E_RNA)
where:
Base-Base interactions energy: -388.938
where: short stacking energy: -151.492
Base-Backbone interact. energy: 0.277
local terms energy: -147.185360
where:
bonds (distance) C4'-P energy: -25.712
bonds (distance) P-C4' energy: -28.149
flat angles C4'-P-C4' energy: -29.649
flat angles P-C4'-P energy: -21.437
tors. eta vs tors. theta energy: -42.238
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: 295
Temperature: 1.150000
Total energy: -536.982541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.982541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.982541 (E_RNA)
where:
Base-Base interactions energy: -390.571
where: short stacking energy: -155.787
Base-Backbone interact. energy: -0.671
local terms energy: -145.740295
where:
bonds (distance) C4'-P energy: -24.345
bonds (distance) P-C4' energy: -24.242
flat angles C4'-P-C4' energy: -26.990
flat angles P-C4'-P energy: -22.704
tors. eta vs tors. theta energy: -47.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -514.260145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.260145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.260145 (E_RNA)
where:
Base-Base interactions energy: -368.925
where: short stacking energy: -144.322
Base-Backbone interact. energy: -0.253
local terms energy: -145.082535
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -27.870
flat angles C4'-P-C4' energy: -31.046
flat angles P-C4'-P energy: -20.554
tors. eta vs tors. theta energy: -44.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -510.052577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.052577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.052577 (E_RNA)
where:
Base-Base interactions energy: -368.342
where: short stacking energy: -132.665
Base-Backbone interact. energy: -0.141
local terms energy: -141.570136
where:
bonds (distance) C4'-P energy: -25.655
bonds (distance) P-C4' energy: -23.080
flat angles C4'-P-C4' energy: -28.193
flat angles P-C4'-P energy: -25.034
tors. eta vs tors. theta energy: -39.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -508.276923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.276923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.276923 (E_RNA)
where:
Base-Base interactions energy: -376.701
where: short stacking energy: -145.149
Base-Backbone interact. energy: -0.024
local terms energy: -131.551824
where:
bonds (distance) C4'-P energy: -25.200
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -30.901
flat angles P-C4'-P energy: -20.146
tors. eta vs tors. theta energy: -42.246
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: 10, replica: 3
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -510.675104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.675104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.675104 (E_RNA)
where:
Base-Base interactions energy: -363.932
where: short stacking energy: -140.434
Base-Backbone interact. energy: -1.726
local terms energy: -145.017290
where:
bonds (distance) C4'-P energy: -24.606
bonds (distance) P-C4' energy: -29.648
flat angles C4'-P-C4' energy: -31.682
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -44.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -557.990650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.990650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.990650 (E_RNA)
where:
Base-Base interactions energy: -402.466
where: short stacking energy: -156.123
Base-Backbone interact. energy: -0.767
local terms energy: -154.757858
where:
bonds (distance) C4'-P energy: -22.599
bonds (distance) P-C4' energy: -31.238
flat angles C4'-P-C4' energy: -32.354
flat angles P-C4'-P energy: -23.467
tors. eta vs tors. theta energy: -45.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -565.428168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.428168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.428168 (E_RNA)
where:
Base-Base interactions energy: -413.425
where: short stacking energy: -160.851
Base-Backbone interact. energy: -0.524
local terms energy: -151.478640
where:
bonds (distance) C4'-P energy: -24.664
bonds (distance) P-C4' energy: -25.653
flat angles C4'-P-C4' energy: -29.374
flat angles P-C4'-P energy: -24.764
tors. eta vs tors. theta energy: -47.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -559.834981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.834981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.834981 (E_RNA)
where:
Base-Base interactions energy: -405.362
where: short stacking energy: -158.606
Base-Backbone interact. energy: 0.354
local terms energy: -154.826155
where:
bonds (distance) C4'-P energy: -30.953
bonds (distance) P-C4' energy: -23.267
flat angles C4'-P-C4' energy: -31.900
flat angles P-C4'-P energy: -20.117
tors. eta vs tors. theta energy: -48.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -543.705918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.705918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.705918 (E_RNA)
where:
Base-Base interactions energy: -397.858
where: short stacking energy: -158.979
Base-Backbone interact. energy: -0.264
local terms energy: -145.583592
where:
bonds (distance) C4'-P energy: -26.395
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -28.569
flat angles P-C4'-P energy: -22.681
tors. eta vs tors. theta energy: -45.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -536.119452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.119452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.119452 (E_RNA)
where:
Base-Base interactions energy: -380.482
where: short stacking energy: -145.781
Base-Backbone interact. energy: -0.739
local terms energy: -154.898748
where:
bonds (distance) C4'-P energy: -31.304
bonds (distance) P-C4' energy: -24.898
flat angles C4'-P-C4' energy: -31.589
flat angles P-C4'-P energy: -21.287
tors. eta vs tors. theta energy: -45.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -533.561945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.561945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.561945 (E_RNA)
where:
Base-Base interactions energy: -392.362
where: short stacking energy: -156.594
Base-Backbone interact. energy: -0.333
local terms energy: -140.866945
where:
bonds (distance) C4'-P energy: -24.176
bonds (distance) P-C4' energy: -26.527
flat angles C4'-P-C4' energy: -29.490
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -44.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -527.291628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.291628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.291628 (E_RNA)
where:
Base-Base interactions energy: -391.426
where: short stacking energy: -151.025
Base-Backbone interact. energy: -0.007
local terms energy: -135.857674
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -21.136
flat angles C4'-P-C4' energy: -28.318
flat angles P-C4'-P energy: -19.811
tors. eta vs tors. theta energy: -44.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -504.491252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.491252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.491252 (E_RNA)
where:
Base-Base interactions energy: -375.544
where: short stacking energy: -144.933
Base-Backbone interact. energy: -1.390
local terms energy: -127.557073
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -28.172
flat angles P-C4'-P energy: -22.252
tors. eta vs tors. theta energy: -43.784
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: 3
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -512.481679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.481679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.481679 (E_RNA)
where:
Base-Base interactions energy: -374.898
where: short stacking energy: -141.010
Base-Backbone interact. energy: -0.535
local terms energy: -137.048330
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -27.244
flat angles C4'-P-C4' energy: -26.699
flat angles P-C4'-P energy: -22.320
tors. eta vs tors. theta energy: -40.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -500.238997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.238997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.238997 (E_RNA)
where:
Base-Base interactions energy: -371.123
where: short stacking energy: -139.230
Base-Backbone interact. energy: -1.589
local terms energy: -127.526927
where:
bonds (distance) C4'-P energy: -22.192
bonds (distance) P-C4' energy: -22.822
flat angles C4'-P-C4' energy: -25.949
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -41.926
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: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -558.795364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.795364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.795364 (E_RNA)
where:
Base-Base interactions energy: -404.071
where: short stacking energy: -163.472
Base-Backbone interact. energy: -0.093
local terms energy: -154.630801
where:
bonds (distance) C4'-P energy: -26.034
bonds (distance) P-C4' energy: -29.282
flat angles C4'-P-C4' energy: -26.445
flat angles P-C4'-P energy: -25.540
tors. eta vs tors. theta energy: -47.329
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: 2, replica: 5
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -563.501901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.501901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.501901 (E_RNA)
where:
Base-Base interactions energy: -408.660
where: short stacking energy: -159.780
Base-Backbone interact. energy: -0.291
local terms energy: -154.551272
where:
bonds (distance) C4'-P energy: -28.672
bonds (distance) P-C4' energy: -23.124
flat angles C4'-P-C4' energy: -31.569
flat angles P-C4'-P energy: -24.335
tors. eta vs tors. theta energy: -46.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -547.837599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.837599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.837599 (E_RNA)
where:
Base-Base interactions energy: -403.427
where: short stacking energy: -162.687
Base-Backbone interact. energy: -0.050
local terms energy: -144.360364
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -26.383
flat angles C4'-P-C4' energy: -32.487
flat angles P-C4'-P energy: -20.880
tors. eta vs tors. theta energy: -46.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -540.621312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.621312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.621312 (E_RNA)
where:
Base-Base interactions energy: -395.514
where: short stacking energy: -150.531
Base-Backbone interact. energy: -1.014
local terms energy: -144.093506
where:
bonds (distance) C4'-P energy: -26.872
bonds (distance) P-C4' energy: -20.923
flat angles C4'-P-C4' energy: -28.773
flat angles P-C4'-P energy: -20.833
tors. eta vs tors. theta energy: -46.692
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: 7
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -527.218612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.218612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.218612 (E_RNA)
where:
Base-Base interactions energy: -374.161
where: short stacking energy: -146.746
Base-Backbone interact. energy: -0.244
local terms energy: -152.813782
where:
bonds (distance) C4'-P energy: -29.509
bonds (distance) P-C4' energy: -28.247
flat angles C4'-P-C4' energy: -27.176
flat angles P-C4'-P energy: -21.578
tors. eta vs tors. theta energy: -46.305
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: 9
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -518.588803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.588803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.588803 (E_RNA)
where:
Base-Base interactions energy: -381.842
where: short stacking energy: -149.143
Base-Backbone interact. energy: 0.088
local terms energy: -136.834431
where:
bonds (distance) C4'-P energy: -21.877
bonds (distance) P-C4' energy: -22.664
flat angles C4'-P-C4' energy: -27.316
flat angles P-C4'-P energy: -21.622
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: 7, replica: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -522.376954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.376954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.376954 (E_RNA)
where:
Base-Base interactions energy: -377.720
where: short stacking energy: -148.260
Base-Backbone interact. energy: -0.008
local terms energy: -144.649110
where:
bonds (distance) C4'-P energy: -20.283
bonds (distance) P-C4' energy: -30.241
flat angles C4'-P-C4' energy: -27.091
flat angles P-C4'-P energy: -20.281
tors. eta vs tors. theta energy: -46.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -511.816506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.816506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.816506 (E_RNA)
where:
Base-Base interactions energy: -378.926
where: short stacking energy: -144.854
Base-Backbone interact. energy: -0.002
local terms energy: -132.888626
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -26.536
flat angles C4'-P-C4' energy: -22.273
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -45.297
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: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -508.643889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.643889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.643889 (E_RNA)
where:
Base-Base interactions energy: -379.990
where: short stacking energy: -153.639
Base-Backbone interact. energy: -0.814
local terms energy: -127.839720
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -22.164
flat angles C4'-P-C4' energy: -28.765
flat angles P-C4'-P energy: -16.401
tors. eta vs tors. theta energy: -44.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -495.289578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.289578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.289578 (E_RNA)
where:
Base-Base interactions energy: -364.623
where: short stacking energy: -139.188
Base-Backbone interact. energy: -0.419
local terms energy: -130.247922
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -22.193
flat angles C4'-P-C4' energy: -26.079
flat angles P-C4'-P energy: -23.398
tors. eta vs tors. theta energy: -41.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -558.520317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.520317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.520317 (E_RNA)
where:
Base-Base interactions energy: -396.465
where: short stacking energy: -156.040
Base-Backbone interact. energy: -0.061
local terms energy: -161.994585
where:
bonds (distance) C4'-P energy: -31.268
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -31.594
flat angles P-C4'-P energy: -26.373
tors. eta vs tors. theta energy: -47.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -553.794216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.794216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.794216 (E_RNA)
where:
Base-Base interactions energy: -399.031
where: short stacking energy: -156.761
Base-Backbone interact. energy: -0.005
local terms energy: -154.757833
where:
bonds (distance) C4'-P energy: -23.908
bonds (distance) P-C4' energy: -26.665
flat angles C4'-P-C4' energy: -34.809
flat angles P-C4'-P energy: -21.420
tors. eta vs tors. theta energy: -47.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -550.801631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.801631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.801631 (E_RNA)
where:
Base-Base interactions energy: -396.824
where: short stacking energy: -152.655
Base-Backbone interact. energy: -1.260
local terms energy: -152.717407
where:
bonds (distance) C4'-P energy: -26.531
bonds (distance) P-C4' energy: -25.361
flat angles C4'-P-C4' energy: -31.974
flat angles P-C4'-P energy: -22.891
tors. eta vs tors. theta energy: -45.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -540.026423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.026423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.026423 (E_RNA)
where:
Base-Base interactions energy: -402.391
where: short stacking energy: -154.250
Base-Backbone interact. energy: -0.001
local terms energy: -137.634726
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -19.401
flat angles C4'-P-C4' energy: -31.663
flat angles P-C4'-P energy: -21.068
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: 5, replica: 9
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -533.884161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.884161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.884161 (E_RNA)
where:
Base-Base interactions energy: -381.716
where: short stacking energy: -149.577
Base-Backbone interact. energy: -1.514
local terms energy: -150.653460
where:
bonds (distance) C4'-P energy: -28.016
bonds (distance) P-C4' energy: -26.834
flat angles C4'-P-C4' energy: -31.113
flat angles P-C4'-P energy: -20.215
tors. eta vs tors. theta energy: -44.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -520.088641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.088641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.088641 (E_RNA)
where:
Base-Base interactions energy: -378.844
where: short stacking energy: -149.475
Base-Backbone interact. energy: -0.732
local terms energy: -140.512139
where:
bonds (distance) C4'-P energy: -23.605
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -32.182
flat angles P-C4'-P energy: -17.699
tors. eta vs tors. theta energy: -42.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -518.709602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.709602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.709602 (E_RNA)
where:
Base-Base interactions energy: -379.396
where: short stacking energy: -142.360
Base-Backbone interact. energy: -0.160
local terms energy: -139.152972
where:
bonds (distance) C4'-P energy: -26.717
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -27.809
flat angles P-C4'-P energy: -24.385
tors. eta vs tors. theta energy: -42.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -529.496026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.496026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.496026 (E_RNA)
where:
Base-Base interactions energy: -384.988
where: short stacking energy: -148.945
Base-Backbone interact. energy: -0.003
local terms energy: -144.505165
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -29.784
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: -47.582
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: 298
Temperature: 1.300000
Total energy: -502.131225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.131225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.131225 (E_RNA)
where:
Base-Base interactions energy: -367.389
where: short stacking energy: -143.581
Base-Backbone interact. energy: -0.203
local terms energy: -134.539934
where:
bonds (distance) C4'-P energy: -25.843
bonds (distance) P-C4' energy: -22.906
flat angles C4'-P-C4' energy: -26.995
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -41.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -476.187645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.187645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.187645 (E_RNA)
where:
Base-Base interactions energy: -352.515
where: short stacking energy: -131.782
Base-Backbone interact. energy: -0.599
local terms energy: -123.073739
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -26.261
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -41.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -563.596667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.596667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.596667 (E_RNA)
where:
Base-Base interactions energy: -405.759
where: short stacking energy: -161.718
Base-Backbone interact. energy: -1.704
local terms energy: -156.133855
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -27.651
flat angles C4'-P-C4' energy: -32.961
flat angles P-C4'-P energy: -23.201
tors. eta vs tors. theta energy: -46.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -551.965240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.965240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.965240 (E_RNA)
where:
Base-Base interactions energy: -397.947
where: short stacking energy: -157.954
Base-Backbone interact. energy: -0.671
local terms energy: -153.346797
where:
bonds (distance) C4'-P energy: -24.345
bonds (distance) P-C4' energy: -28.516
flat angles C4'-P-C4' energy: -28.130
flat angles P-C4'-P energy: -23.134
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: 3, replica: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -546.488152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.488152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.488152 (E_RNA)
where:
Base-Base interactions energy: -403.183
where: short stacking energy: -154.818
Base-Backbone interact. energy: -0.923
local terms energy: -142.382100
where:
bonds (distance) C4'-P energy: -26.026
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -27.721
flat angles P-C4'-P energy: -19.880
tors. eta vs tors. theta energy: -44.908
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: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -544.833923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.833923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.833923 (E_RNA)
where:
Base-Base interactions energy: -385.709
where: short stacking energy: -147.882
Base-Backbone interact. energy: -0.482
local terms energy: -158.642220
where:
bonds (distance) C4'-P energy: -29.226
bonds (distance) P-C4' energy: -28.992
flat angles C4'-P-C4' energy: -33.009
flat angles P-C4'-P energy: -21.328
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: 5, replica: 9
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -538.486241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.486241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.486241 (E_RNA)
where:
Base-Base interactions energy: -391.032
where: short stacking energy: -148.391
Base-Backbone interact. energy: -0.171
local terms energy: -147.282797
where:
bonds (distance) C4'-P energy: -27.713
bonds (distance) P-C4' energy: -28.400
flat angles C4'-P-C4' energy: -30.220
flat angles P-C4'-P energy: -17.973
tors. eta vs tors. theta energy: -42.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -525.795711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.795711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.795711 (E_RNA)
where:
Base-Base interactions energy: -386.930
where: short stacking energy: -145.298
Base-Backbone interact. energy: -1.850
local terms energy: -137.015630
where:
bonds (distance) C4'-P energy: -22.329
bonds (distance) P-C4' energy: -16.493
flat angles C4'-P-C4' energy: -29.141
flat angles P-C4'-P energy: -22.693
tors. eta vs tors. theta energy: -46.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -516.833605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.833605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.833605 (E_RNA)
where:
Base-Base interactions energy: -375.847
where: short stacking energy: -156.206
Base-Backbone interact. energy: -0.010
local terms energy: -140.976848
where:
bonds (distance) C4'-P energy: -30.594
bonds (distance) P-C4' energy: -22.847
flat angles C4'-P-C4' energy: -29.406
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -44.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -500.728116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.728116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.728116 (E_RNA)
where:
Base-Base interactions energy: -371.587
where: short stacking energy: -144.131
Base-Backbone interact. energy: -0.402
local terms energy: -128.739330
where:
bonds (distance) C4'-P energy: -24.067
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -23.534
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -42.994
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: 10
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -503.331450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.331450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.331450 (E_RNA)
where:
Base-Base interactions energy: -368.245
where: short stacking energy: -146.078
Base-Backbone interact. energy: -0.763
local terms energy: -134.323968
where:
bonds (distance) C4'-P energy: -30.505
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -30.229
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -44.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -480.282986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.282986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.282986 (E_RNA)
where:
Base-Base interactions energy: -348.416
where: short stacking energy: -135.540
Base-Backbone interact. energy: -0.009
local terms energy: -131.858711
where:
bonds (distance) C4'-P energy: -24.034
bonds (distance) P-C4' energy: -23.311
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -18.030
tors. eta vs tors. theta energy: -40.889
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: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -564.433281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.433281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.433281 (E_RNA)
where:
Base-Base interactions energy: -400.044
where: short stacking energy: -157.683
Base-Backbone interact. energy: -0.411
local terms energy: -163.978535
where:
bonds (distance) C4'-P energy: -30.811
bonds (distance) P-C4' energy: -30.715
flat angles C4'-P-C4' energy: -28.769
flat angles P-C4'-P energy: -27.313
tors. eta vs tors. theta energy: -46.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -554.551874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.551874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.551874 (E_RNA)
where:
Base-Base interactions energy: -397.700
where: short stacking energy: -158.599
Base-Backbone interact. energy: -0.538
local terms energy: -156.313768
where:
bonds (distance) C4'-P energy: -30.232
bonds (distance) P-C4' energy: -26.199
flat angles C4'-P-C4' energy: -30.360
flat angles P-C4'-P energy: -21.509
tors. eta vs tors. theta energy: -48.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -553.055561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.055561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.055561 (E_RNA)
where:
Base-Base interactions energy: -399.791
where: short stacking energy: -153.692
Base-Backbone interact. energy: -0.280
local terms energy: -152.984368
where:
bonds (distance) C4'-P energy: -27.640
bonds (distance) P-C4' energy: -24.893
flat angles C4'-P-C4' energy: -30.096
flat angles P-C4'-P energy: -20.756
tors. eta vs tors. theta energy: -49.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -541.507467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.507467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.507467 (E_RNA)
where:
Base-Base interactions energy: -396.135
where: short stacking energy: -151.532
Base-Backbone interact. energy: -0.580
local terms energy: -144.792376
where:
bonds (distance) C4'-P energy: -24.046
bonds (distance) P-C4' energy: -23.742
flat angles C4'-P-C4' energy: -26.847
flat angles P-C4'-P energy: -24.527
tors. eta vs tors. theta energy: -45.630
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: 9
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -530.239216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.239216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.239216 (E_RNA)
where:
Base-Base interactions energy: -381.901
where: short stacking energy: -150.120
Base-Backbone interact. energy: -0.303
local terms energy: -148.035281
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -27.143
flat angles C4'-P-C4' energy: -27.597
flat angles P-C4'-P energy: -23.709
tors. eta vs tors. theta energy: -46.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -531.058784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.058784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.058784 (E_RNA)
where:
Base-Base interactions energy: -394.158
where: short stacking energy: -153.593
Base-Backbone interact. energy: -0.989
local terms energy: -135.911798
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -21.729
flat angles C4'-P-C4' energy: -30.924
flat angles P-C4'-P energy: -21.448
tors. eta vs tors. theta energy: -45.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -505.036285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.036285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.036285 (E_RNA)
where:
Base-Base interactions energy: -363.260
where: short stacking energy: -140.495
Base-Backbone interact. energy: -0.524
local terms energy: -141.252335
where:
bonds (distance) C4'-P energy: -25.236
bonds (distance) P-C4' energy: -24.463
flat angles C4'-P-C4' energy: -31.464
flat angles P-C4'-P energy: -18.078
tors. eta vs tors. theta energy: -42.012
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: 2
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -512.293476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.293476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.293476 (E_RNA)
where:
Base-Base interactions energy: -375.287
where: short stacking energy: -141.580
Base-Backbone interact. energy: 0.173
local terms energy: -137.178813
where:
bonds (distance) C4'-P energy: -20.827
bonds (distance) P-C4' energy: -28.430
flat angles C4'-P-C4' energy: -27.167
flat angles P-C4'-P energy: -18.933
tors. eta vs tors. theta energy: -41.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -503.766417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.766417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.766417 (E_RNA)
where:
Base-Base interactions energy: -370.811
where: short stacking energy: -147.192
Base-Backbone interact. energy: -0.389
local terms energy: -132.566635
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -20.086
flat angles C4'-P-C4' energy: -33.700
flat angles P-C4'-P energy: -17.992
tors. eta vs tors. theta energy: -41.253
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: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -503.060781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.060781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.060781 (E_RNA)
where:
Base-Base interactions energy: -363.962
where: short stacking energy: -139.654
Base-Backbone interact. energy: -0.080
local terms energy: -139.018383
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -25.779
flat angles C4'-P-C4' energy: -26.083
flat angles P-C4'-P energy: -17.328
tors. eta vs tors. theta energy: -48.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -573.123024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.123024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.123024 (E_RNA)
where:
Base-Base interactions energy: -414.312
where: short stacking energy: -165.443
Base-Backbone interact. energy: -0.777
local terms energy: -158.033873
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -28.536
flat angles C4'-P-C4' energy: -33.697
flat angles P-C4'-P energy: -25.251
tors. eta vs tors. theta energy: -47.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -552.097494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.097494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.097494 (E_RNA)
where:
Base-Base interactions energy: -401.279
where: short stacking energy: -155.247
Base-Backbone interact. energy: -0.042
local terms energy: -150.776388
where:
bonds (distance) C4'-P energy: -25.520
bonds (distance) P-C4' energy: -28.021
flat angles C4'-P-C4' energy: -31.926
flat angles P-C4'-P energy: -18.910
tors. eta vs tors. theta energy: -46.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -549.373106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.373106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.373106 (E_RNA)
where:
Base-Base interactions energy: -397.243
where: short stacking energy: -153.588
Base-Backbone interact. energy: -0.046
local terms energy: -152.083479
where:
bonds (distance) C4'-P energy: -28.729
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -28.580
flat angles P-C4'-P energy: -21.864
tors. eta vs tors. theta energy: -46.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -543.404174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.404174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.404174 (E_RNA)
where:
Base-Base interactions energy: -398.391
where: short stacking energy: -157.135
Base-Backbone interact. energy: -0.122
local terms energy: -144.890997
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -33.514
flat angles P-C4'-P energy: -23.441
tors. eta vs tors. theta energy: -48.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -543.794995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.794995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.794995 (E_RNA)
where:
Base-Base interactions energy: -392.623
where: short stacking energy: -150.185
Base-Backbone interact. energy: -1.587
local terms energy: -149.584364
where:
bonds (distance) C4'-P energy: -23.960
bonds (distance) P-C4' energy: -27.955
flat angles C4'-P-C4' energy: -27.985
flat angles P-C4'-P energy: -22.626
tors. eta vs tors. theta energy: -47.058
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: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -540.411915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.411915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.411915 (E_RNA)
where:
Base-Base interactions energy: -387.106
where: short stacking energy: -150.844
Base-Backbone interact. energy: -1.117
local terms energy: -152.188962
where:
bonds (distance) C4'-P energy: -27.243
bonds (distance) P-C4' energy: -26.880
flat angles C4'-P-C4' energy: -28.064
flat angles P-C4'-P energy: -25.177
tors. eta vs tors. theta energy: -44.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -514.045505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.045505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.045505 (E_RNA)
where:
Base-Base interactions energy: -383.520
where: short stacking energy: -143.515
Base-Backbone interact. energy: 0.858
local terms energy: -131.382642
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -25.173
flat angles C4'-P-C4' energy: -27.103
flat angles P-C4'-P energy: -21.641
tors. eta vs tors. theta energy: -41.840
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: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -514.718104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.718104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.718104 (E_RNA)
where:
Base-Base interactions energy: -386.212
where: short stacking energy: -151.135
Base-Backbone interact. energy: -0.536
local terms energy: -127.969780
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -26.830
flat angles P-C4'-P energy: -22.300
tors. eta vs tors. theta energy: -47.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -509.110322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.110322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.110322 (E_RNA)
where:
Base-Base interactions energy: -390.457
where: short stacking energy: -153.895
Base-Backbone interact. energy: -0.002
local terms energy: -118.651992
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -20.785
tors. eta vs tors. theta energy: -46.744
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: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -497.641010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.641010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.641010 (E_RNA)
where:
Base-Base interactions energy: -358.006
where: short stacking energy: -133.831
Base-Backbone interact. energy: -0.893
local terms energy: -138.742074
where:
bonds (distance) C4'-P energy: -23.294
bonds (distance) P-C4' energy: -26.913
flat angles C4'-P-C4' energy: -27.916
flat angles P-C4'-P energy: -17.536
tors. eta vs tors. theta energy: -43.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -566.017212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.017212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.017212 (E_RNA)
where:
Base-Base interactions energy: -406.622
where: short stacking energy: -164.088
Base-Backbone interact. energy: -0.043
local terms energy: -159.352370
where:
bonds (distance) C4'-P energy: -27.301
bonds (distance) P-C4' energy: -29.797
flat angles C4'-P-C4' energy: -32.619
flat angles P-C4'-P energy: -20.882
tors. eta vs tors. theta energy: -48.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -552.002388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.002388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.002388 (E_RNA)
where:
Base-Base interactions energy: -398.304
where: short stacking energy: -153.981
Base-Backbone interact. energy: -1.649
local terms energy: -152.049800
where:
bonds (distance) C4'-P energy: -26.605
bonds (distance) P-C4' energy: -29.513
flat angles C4'-P-C4' energy: -28.568
flat angles P-C4'-P energy: -23.247
tors. eta vs tors. theta energy: -44.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -545.198799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.198799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.198799 (E_RNA)
where:
Base-Base interactions energy: -398.427
where: short stacking energy: -153.146
Base-Backbone interact. energy: -1.328
local terms energy: -145.443571
where:
bonds (distance) C4'-P energy: -25.036
bonds (distance) P-C4' energy: -26.110
flat angles C4'-P-C4' energy: -26.769
flat angles P-C4'-P energy: -22.346
tors. eta vs tors. theta energy: -45.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -543.205892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.205892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.205892 (E_RNA)
where:
Base-Base interactions energy: -400.241
where: short stacking energy: -157.383
Base-Backbone interact. energy: -0.242
local terms energy: -142.722792
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -26.172
flat angles C4'-P-C4' energy: -29.948
flat angles P-C4'-P energy: -18.516
tors. eta vs tors. theta energy: -46.459
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: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -542.743969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.743969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.743969 (E_RNA)
where:
Base-Base interactions energy: -397.873
where: short stacking energy: -153.161
Base-Backbone interact. energy: -0.119
local terms energy: -144.752638
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -28.943
flat angles C4'-P-C4' energy: -27.803
flat angles P-C4'-P energy: -20.084
tors. eta vs tors. theta energy: -43.888
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: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -539.367512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.367512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.367512 (E_RNA)
where:
Base-Base interactions energy: -392.363
where: short stacking energy: -150.158
Base-Backbone interact. energy: -0.464
local terms energy: -146.540205
where:
bonds (distance) C4'-P energy: -23.878
bonds (distance) P-C4' energy: -24.444
flat angles C4'-P-C4' energy: -31.460
flat angles P-C4'-P energy: -19.913
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: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -526.497248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.497248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.497248 (E_RNA)
where:
Base-Base interactions energy: -378.074
where: short stacking energy: -143.689
Base-Backbone interact. energy: -2.055
local terms energy: -146.368646
where:
bonds (distance) C4'-P energy: -23.575
bonds (distance) P-C4' energy: -28.705
flat angles C4'-P-C4' energy: -28.517
flat angles P-C4'-P energy: -21.843
tors. eta vs tors. theta energy: -43.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -504.518366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.518366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.518366 (E_RNA)
where:
Base-Base interactions energy: -370.932
where: short stacking energy: -146.258
Base-Backbone interact. energy: -0.009
local terms energy: -133.578170
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -30.534
flat angles P-C4'-P energy: -18.359
tors. eta vs tors. theta energy: -41.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -500.539078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.539078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.539078 (E_RNA)
where:
Base-Base interactions energy: -368.109
where: short stacking energy: -138.801
Base-Backbone interact. energy: -1.206
local terms energy: -131.223749
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -21.687
flat angles C4'-P-C4' energy: -26.984
flat angles P-C4'-P energy: -19.501
tors. eta vs tors. theta energy: -43.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -494.443464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.443464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.443464 (E_RNA)
where:
Base-Base interactions energy: -362.362
where: short stacking energy: -144.388
Base-Backbone interact. energy: -0.631
local terms energy: -131.449851
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -24.953
flat angles C4'-P-C4' energy: -24.339
flat angles P-C4'-P energy: -22.080
tors. eta vs tors. theta energy: -44.000
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: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -561.479919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.479919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.479919 (E_RNA)
where:
Base-Base interactions energy: -411.131
where: short stacking energy: -159.364
Base-Backbone interact. energy: -0.611
local terms energy: -149.737999
where:
bonds (distance) C4'-P energy: -26.008
bonds (distance) P-C4' energy: -26.614
flat angles C4'-P-C4' energy: -30.211
flat angles P-C4'-P energy: -20.876
tors. eta vs tors. theta energy: -46.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -556.753845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.753845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.753845 (E_RNA)
where:
Base-Base interactions energy: -405.173
where: short stacking energy: -159.070
Base-Backbone interact. energy: -0.070
local terms energy: -151.511139
where:
bonds (distance) C4'-P energy: -25.521
bonds (distance) P-C4' energy: -25.315
flat angles C4'-P-C4' energy: -33.160
flat angles P-C4'-P energy: -19.905
tors. eta vs tors. theta energy: -47.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -555.061144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.061144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.061144 (E_RNA)
where:
Base-Base interactions energy: -392.861
where: short stacking energy: -157.062
Base-Backbone interact. energy: -0.461
local terms energy: -161.739023
where:
bonds (distance) C4'-P energy: -27.224
bonds (distance) P-C4' energy: -27.687
flat angles C4'-P-C4' energy: -31.587
flat angles P-C4'-P energy: -26.688
tors. eta vs tors. theta energy: -48.552
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: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -546.530953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.530953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.530953 (E_RNA)
where:
Base-Base interactions energy: -391.573
where: short stacking energy: -153.369
Base-Backbone interact. energy: 0.154
local terms energy: -155.111425
where:
bonds (distance) C4'-P energy: -29.272
bonds (distance) P-C4' energy: -26.997
flat angles C4'-P-C4' energy: -30.028
flat angles P-C4'-P energy: -22.981
tors. eta vs tors. theta energy: -45.833
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: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -535.023154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.023154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.023154 (E_RNA)
where:
Base-Base interactions energy: -382.919
where: short stacking energy: -146.962
Base-Backbone interact. energy: -0.315
local terms energy: -151.789208
where:
bonds (distance) C4'-P energy: -27.129
bonds (distance) P-C4' energy: -28.736
flat angles C4'-P-C4' energy: -29.008
flat angles P-C4'-P energy: -21.696
tors. eta vs tors. theta energy: -45.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -508.718860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.718860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.718860 (E_RNA)
where:
Base-Base interactions energy: -362.402
where: short stacking energy: -142.800
Base-Backbone interact. energy: -0.075
local terms energy: -146.241339
where:
bonds (distance) C4'-P energy: -27.790
bonds (distance) P-C4' energy: -27.175
flat angles C4'-P-C4' energy: -26.910
flat angles P-C4'-P energy: -21.108
tors. eta vs tors. theta energy: -43.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -515.760137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.760137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.760137 (E_RNA)
where:
Base-Base interactions energy: -378.799
where: short stacking energy: -151.817
Base-Backbone interact. energy: -0.005
local terms energy: -136.956271
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -28.704
flat angles C4'-P-C4' energy: -24.292
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: -44.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -509.232852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.232852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.232852 (E_RNA)
where:
Base-Base interactions energy: -363.119
where: short stacking energy: -139.843
Base-Backbone interact. energy: -0.983
local terms energy: -145.130269
where:
bonds (distance) C4'-P energy: -26.240
bonds (distance) P-C4' energy: -26.831
flat angles C4'-P-C4' energy: -26.874
flat angles P-C4'-P energy: -21.982
tors. eta vs tors. theta energy: -43.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -505.319884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.319884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.319884 (E_RNA)
where:
Base-Base interactions energy: -369.750
where: short stacking energy: -141.790
Base-Backbone interact. energy: -0.669
local terms energy: -134.901480
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -25.186
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -24.250
tors. eta vs tors. theta energy: -44.242
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: 10, replica: 2
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -496.920704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.920704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.920704 (E_RNA)
where:
Base-Base interactions energy: -359.915
where: short stacking energy: -140.560
Base-Backbone interact. energy: 0.152
local terms energy: -137.157496
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -24.161
flat angles C4'-P-C4' energy: -30.311
flat angles P-C4'-P energy: -21.060
tors. eta vs tors. theta energy: -41.585
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: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -560.151698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.151698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.151698 (E_RNA)
where:
Base-Base interactions energy: -403.895
where: short stacking energy: -157.303
Base-Backbone interact. energy: -0.000
local terms energy: -156.255796
where:
bonds (distance) C4'-P energy: -27.976
bonds (distance) P-C4' energy: -29.354
flat angles C4'-P-C4' energy: -29.719
flat angles P-C4'-P energy: -20.629
tors. eta vs tors. theta energy: -48.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -566.962954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.962954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.962954 (E_RNA)
where:
Base-Base interactions energy: -410.715
where: short stacking energy: -157.717
Base-Backbone interact. energy: -0.541
local terms energy: -155.706893
where:
bonds (distance) C4'-P energy: -26.244
bonds (distance) P-C4' energy: -28.819
flat angles C4'-P-C4' energy: -32.172
flat angles P-C4'-P energy: -21.814
tors. eta vs tors. theta energy: -46.657
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: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -549.312065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.312065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.312065 (E_RNA)
where:
Base-Base interactions energy: -397.484
where: short stacking energy: -148.177
Base-Backbone interact. energy: -0.006
local terms energy: -151.822278
where:
bonds (distance) C4'-P energy: -21.691
bonds (distance) P-C4' energy: -26.822
flat angles C4'-P-C4' energy: -34.216
flat angles P-C4'-P energy: -22.984
tors. eta vs tors. theta energy: -46.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -541.443370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.443370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.443370 (E_RNA)
where:
Base-Base interactions energy: -396.080
where: short stacking energy: -152.052
Base-Backbone interact. energy: -0.008
local terms energy: -145.356118
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -22.753
flat angles C4'-P-C4' energy: -30.167
flat angles P-C4'-P energy: -22.777
tors. eta vs tors. theta energy: -44.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -537.404449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.404449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.404449 (E_RNA)
where:
Base-Base interactions energy: -396.107
where: short stacking energy: -153.504
Base-Backbone interact. energy: -0.007
local terms energy: -141.290438
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -26.751
flat angles C4'-P-C4' energy: -35.515
flat angles P-C4'-P energy: -17.946
tors. eta vs tors. theta energy: -44.993
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: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -504.820167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.820167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.820167 (E_RNA)
where:
Base-Base interactions energy: -357.091
where: short stacking energy: -140.448
Base-Backbone interact. energy: -0.002
local terms energy: -147.727065
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -29.026
flat angles C4'-P-C4' energy: -30.123
flat angles P-C4'-P energy: -20.971
tors. eta vs tors. theta energy: -43.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -527.479361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.479361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.479361 (E_RNA)
where:
Base-Base interactions energy: -384.084
where: short stacking energy: -148.153
Base-Backbone interact. energy: -0.002
local terms energy: -143.393986
where:
bonds (distance) C4'-P energy: -22.766
bonds (distance) P-C4' energy: -24.496
flat angles C4'-P-C4' energy: -28.187
flat angles P-C4'-P energy: -21.308
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: 8, replica: 3
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -516.129866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.129866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.129866 (E_RNA)
where:
Base-Base interactions energy: -376.438
where: short stacking energy: -138.086
Base-Backbone interact. energy: -0.543
local terms energy: -139.149625
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -25.681
flat angles P-C4'-P energy: -22.784
tors. eta vs tors. theta energy: -43.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -506.408563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.408563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.408563 (E_RNA)
where:
Base-Base interactions energy: -370.580
where: short stacking energy: -143.876
Base-Backbone interact. energy: -0.001
local terms energy: -135.828085
where:
bonds (distance) C4'-P energy: -25.025
bonds (distance) P-C4' energy: -18.490
flat angles C4'-P-C4' energy: -31.223
flat angles P-C4'-P energy: -18.993
tors. eta vs tors. theta energy: -42.098
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: 2
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -440.865551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.865551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.865551 (E_RNA)
where:
Base-Base interactions energy: -317.215
where: short stacking energy: -132.757
Base-Backbone interact. energy: -0.024
local terms energy: -123.626084
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -24.011
flat angles P-C4'-P energy: -20.685
tors. eta vs tors. theta energy: -40.786
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: 1, replica: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -566.624087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.624087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.624087 (E_RNA)
where:
Base-Base interactions energy: -411.941
where: short stacking energy: -160.874
Base-Backbone interact. energy: -0.089
local terms energy: -154.594044
where:
bonds (distance) C4'-P energy: -28.108
bonds (distance) P-C4' energy: -27.223
flat angles C4'-P-C4' energy: -31.490
flat angles P-C4'-P energy: -19.742
tors. eta vs tors. theta energy: -48.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -551.464193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.464193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.464193 (E_RNA)
where:
Base-Base interactions energy: -389.361
where: short stacking energy: -148.164
Base-Backbone interact. energy: -0.783
local terms energy: -161.320445
where:
bonds (distance) C4'-P energy: -28.659
bonds (distance) P-C4' energy: -28.790
flat angles C4'-P-C4' energy: -32.099
flat angles P-C4'-P energy: -23.694
tors. eta vs tors. theta energy: -48.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -544.783556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.783556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.783556 (E_RNA)
where:
Base-Base interactions energy: -395.660
where: short stacking energy: -161.123
Base-Backbone interact. energy: -0.004
local terms energy: -149.119775
where:
bonds (distance) C4'-P energy: -28.150
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -30.679
flat angles P-C4'-P energy: -21.845
tors. eta vs tors. theta energy: -46.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -546.196853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.196853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.196853 (E_RNA)
where:
Base-Base interactions energy: -401.526
where: short stacking energy: -154.207
Base-Backbone interact. energy: 0.125
local terms energy: -144.795986
where:
bonds (distance) C4'-P energy: -20.407
bonds (distance) P-C4' energy: -22.050
flat angles C4'-P-C4' energy: -31.939
flat angles P-C4'-P energy: -25.996
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: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -530.284306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.284306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.284306 (E_RNA)
where:
Base-Base interactions energy: -375.110
where: short stacking energy: -143.447
Base-Backbone interact. energy: -0.263
local terms energy: -154.911260
where:
bonds (distance) C4'-P energy: -30.108
bonds (distance) P-C4' energy: -29.922
flat angles C4'-P-C4' energy: -29.955
flat angles P-C4'-P energy: -24.250
tors. eta vs tors. theta energy: -40.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -535.104155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.104155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.104155 (E_RNA)
where:
Base-Base interactions energy: -388.809
where: short stacking energy: -151.883
Base-Backbone interact. energy: -0.283
local terms energy: -146.012512
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -28.185
flat angles C4'-P-C4' energy: -27.035
flat angles P-C4'-P energy: -25.262
tors. eta vs tors. theta energy: -43.583
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: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -518.319720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.319720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.319720 (E_RNA)
where:
Base-Base interactions energy: -378.391
where: short stacking energy: -141.689
Base-Backbone interact. energy: 0.913
local terms energy: -140.841708
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -21.313
flat angles C4'-P-C4' energy: -31.198
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -45.433
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: 7
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -511.486174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.486174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.486174 (E_RNA)
where:
Base-Base interactions energy: -373.899
where: short stacking energy: -145.122
Base-Backbone interact. energy: -0.391
local terms energy: -137.195315
where:
bonds (distance) C4'-P energy: -26.383
bonds (distance) P-C4' energy: -23.562
flat angles C4'-P-C4' energy: -26.443
flat angles P-C4'-P energy: -18.499
tors. eta vs tors. theta energy: -42.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -504.143156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.143156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.143156 (E_RNA)
where:
Base-Base interactions energy: -367.219
where: short stacking energy: -143.455
Base-Backbone interact. energy: -0.079
local terms energy: -136.844785
where:
bonds (distance) C4'-P energy: -24.383
bonds (distance) P-C4' energy: -22.967
flat angles C4'-P-C4' energy: -26.855
flat angles P-C4'-P energy: -20.924
tors. eta vs tors. theta energy: -41.716
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: 2
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -488.742024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.742024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.742024 (E_RNA)
where:
Base-Base interactions energy: -356.604
where: short stacking energy: -136.240
Base-Backbone interact. energy: -0.337
local terms energy: -131.800642
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -23.323
flat angles C4'-P-C4' energy: -25.524
flat angles P-C4'-P energy: -22.883
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: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -573.868194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.868194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.868194 (E_RNA)
where:
Base-Base interactions energy: -419.651
where: short stacking energy: -165.707
Base-Backbone interact. energy: -0.003
local terms energy: -154.214012
where:
bonds (distance) C4'-P energy: -29.455
bonds (distance) P-C4' energy: -23.540
flat angles C4'-P-C4' energy: -32.679
flat angles P-C4'-P energy: -21.749
tors. eta vs tors. theta energy: -46.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -559.527341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.527341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.527341 (E_RNA)
where:
Base-Base interactions energy: -403.562
where: short stacking energy: -161.091
Base-Backbone interact. energy: -0.096
local terms energy: -155.868510
where:
bonds (distance) C4'-P energy: -31.172
bonds (distance) P-C4' energy: -26.430
flat angles C4'-P-C4' energy: -28.500
flat angles P-C4'-P energy: -22.373
tors. eta vs tors. theta energy: -47.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -548.708825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.708825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.708825 (E_RNA)
where:
Base-Base interactions energy: -387.191
where: short stacking energy: -151.853
Base-Backbone interact. energy: -0.561
local terms energy: -160.956503
where:
bonds (distance) C4'-P energy: -29.167
bonds (distance) P-C4' energy: -27.877
flat angles C4'-P-C4' energy: -33.529
flat angles P-C4'-P energy: -23.544
tors. eta vs tors. theta energy: -46.839
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: 6
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -538.238123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.238123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.238123 (E_RNA)
where:
Base-Base interactions energy: -391.846
where: short stacking energy: -157.930
Base-Backbone interact. energy: -1.514
local terms energy: -144.877664
where:
bonds (distance) C4'-P energy: -22.209
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -31.791
flat angles P-C4'-P energy: -24.669
tors. eta vs tors. theta energy: -46.043
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: 10
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -531.189257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.189257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.189257 (E_RNA)
where:
Base-Base interactions energy: -390.257
where: short stacking energy: -152.081
Base-Backbone interact. energy: -0.709
local terms energy: -140.223626
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -26.610
flat angles C4'-P-C4' energy: -32.292
flat angles P-C4'-P energy: -20.710
tors. eta vs tors. theta energy: -43.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -536.202561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.202561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.202561 (E_RNA)
where:
Base-Base interactions energy: -386.545
where: short stacking energy: -146.420
Base-Backbone interact. energy: 0.198
local terms energy: -149.855168
where:
bonds (distance) C4'-P energy: -27.190
bonds (distance) P-C4' energy: -25.798
flat angles C4'-P-C4' energy: -28.928
flat angles P-C4'-P energy: -23.081
tors. eta vs tors. theta energy: -44.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -523.885367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.885367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.885367 (E_RNA)
where:
Base-Base interactions energy: -381.068
where: short stacking energy: -145.812
Base-Backbone interact. energy: -0.404
local terms energy: -142.414001
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -26.797
flat angles C4'-P-C4' energy: -30.757
flat angles P-C4'-P energy: -16.345
tors. eta vs tors. theta energy: -47.619
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: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -513.362171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.362171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.362171 (E_RNA)
where:
Base-Base interactions energy: -377.001
where: short stacking energy: -143.323
Base-Backbone interact. energy: -1.123
local terms energy: -135.238374
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -24.725
flat angles C4'-P-C4' energy: -28.716
flat angles P-C4'-P energy: -19.761
tors. eta vs tors. theta energy: -45.231
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: 2
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -480.219646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.219646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.219646 (E_RNA)
where:
Base-Base interactions energy: -345.669
where: short stacking energy: -136.375
Base-Backbone interact. energy: -0.008
local terms energy: -134.542595
where:
bonds (distance) C4'-P energy: -29.591
bonds (distance) P-C4' energy: -24.865
flat angles C4'-P-C4' energy: -26.423
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -43.902
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: 10, replica: 3
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -478.075250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.075250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.075250 (E_RNA)
where:
Base-Base interactions energy: -346.721
where: short stacking energy: -129.580
Base-Backbone interact. energy: -0.180
local terms energy: -131.174217
where:
bonds (distance) C4'-P energy: -21.285
bonds (distance) P-C4' energy: -23.633
flat angles C4'-P-C4' energy: -23.564
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -41.798
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: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -569.767821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.767821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.767821 (E_RNA)
where:
Base-Base interactions energy: -403.425
where: short stacking energy: -153.861
Base-Backbone interact. energy: -0.001
local terms energy: -166.342148
where:
bonds (distance) C4'-P energy: -30.047
bonds (distance) P-C4' energy: -29.932
flat angles C4'-P-C4' energy: -32.989
flat angles P-C4'-P energy: -25.152
tors. eta vs tors. theta energy: -48.222
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: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -556.622244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.622244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.622244 (E_RNA)
where:
Base-Base interactions energy: -397.479
where: short stacking energy: -154.066
Base-Backbone interact. energy: -0.246
local terms energy: -158.896958
where:
bonds (distance) C4'-P energy: -30.849
bonds (distance) P-C4' energy: -26.622
flat angles C4'-P-C4' energy: -32.535
flat angles P-C4'-P energy: -22.072
tors. eta vs tors. theta energy: -46.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -551.259758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.259758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.259758 (E_RNA)
where:
Base-Base interactions energy: -396.741
where: short stacking energy: -157.776
Base-Backbone interact. energy: -0.595
local terms energy: -153.923227
where:
bonds (distance) C4'-P energy: -25.341
bonds (distance) P-C4' energy: -25.864
flat angles C4'-P-C4' energy: -26.805
flat angles P-C4'-P energy: -27.223
tors. eta vs tors. theta energy: -48.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -541.145560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.145560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.145560 (E_RNA)
where:
Base-Base interactions energy: -392.350
where: short stacking energy: -152.988
Base-Backbone interact. energy: -0.001
local terms energy: -148.794449
where:
bonds (distance) C4'-P energy: -24.558
bonds (distance) P-C4' energy: -23.803
flat angles C4'-P-C4' energy: -30.926
flat angles P-C4'-P energy: -24.290
tors. eta vs tors. theta energy: -45.217
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: 6
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -526.780964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.780964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.780964 (E_RNA)
where:
Base-Base interactions energy: -386.703
where: short stacking energy: -149.972
Base-Backbone interact. energy: -0.010
local terms energy: -140.068060
where:
bonds (distance) C4'-P energy: -23.599
bonds (distance) P-C4' energy: -27.524
flat angles C4'-P-C4' energy: -28.345
flat angles P-C4'-P energy: -16.260
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: 6, replica: 5
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -529.641666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.641666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.641666 (E_RNA)
where:
Base-Base interactions energy: -385.956
where: short stacking energy: -148.332
Base-Backbone interact. energy: 1.298
local terms energy: -144.984378
where:
bonds (distance) C4'-P energy: -24.373
bonds (distance) P-C4' energy: -28.180
flat angles C4'-P-C4' energy: -26.346
flat angles P-C4'-P energy: -20.553
tors. eta vs tors. theta energy: -45.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -533.052930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.052930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.052930 (E_RNA)
where:
Base-Base interactions energy: -388.633
where: short stacking energy: -156.128
Base-Backbone interact. energy: -0.246
local terms energy: -144.173291
where:
bonds (distance) C4'-P energy: -25.476
bonds (distance) P-C4' energy: -20.325
flat angles C4'-P-C4' energy: -30.095
flat angles P-C4'-P energy: -20.595
tors. eta vs tors. theta energy: -47.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -518.263403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.263403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.263403 (E_RNA)
where:
Base-Base interactions energy: -371.226
where: short stacking energy: -139.269
Base-Backbone interact. energy: -0.410
local terms energy: -146.627637
where:
bonds (distance) C4'-P energy: -24.164
bonds (distance) P-C4' energy: -29.952
flat angles C4'-P-C4' energy: -29.637
flat angles P-C4'-P energy: -23.911
tors. eta vs tors. theta energy: -38.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -497.793360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.793360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.793360 (E_RNA)
where:
Base-Base interactions energy: -366.666
where: short stacking energy: -139.664
Base-Backbone interact. energy: -1.133
local terms energy: -129.994038
where:
bonds (distance) C4'-P energy: -23.792
bonds (distance) P-C4' energy: -21.973
flat angles C4'-P-C4' energy: -26.125
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -42.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -476.171296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.171296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.171296 (E_RNA)
where:
Base-Base interactions energy: -360.246
where: short stacking energy: -133.327
Base-Backbone interact. energy: -0.065
local terms energy: -115.859962
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -24.295
flat angles P-C4'-P energy: -18.542
tors. eta vs tors. theta energy: -39.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -548.575792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.575792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.575792 (E_RNA)
where:
Base-Base interactions energy: -396.879
where: short stacking energy: -158.187
Base-Backbone interact. energy: -0.916
local terms energy: -150.781137
where:
bonds (distance) C4'-P energy: -23.258
bonds (distance) P-C4' energy: -28.556
flat angles C4'-P-C4' energy: -31.226
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: -48.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -553.601153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.601153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.601153 (E_RNA)
where:
Base-Base interactions energy: -400.498
where: short stacking energy: -156.545
Base-Backbone interact. energy: -0.324
local terms energy: -152.778810
where:
bonds (distance) C4'-P energy: -24.685
bonds (distance) P-C4' energy: -30.369
flat angles C4'-P-C4' energy: -31.194
flat angles P-C4'-P energy: -21.229
tors. eta vs tors. theta energy: -45.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -551.455638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.455638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.455638 (E_RNA)
where:
Base-Base interactions energy: -404.735
where: short stacking energy: -160.831
Base-Backbone interact. energy: -0.042
local terms energy: -146.678626
where:
bonds (distance) C4'-P energy: -25.823
bonds (distance) P-C4' energy: -23.678
flat angles C4'-P-C4' energy: -32.967
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: -46.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -531.030762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.030762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.030762 (E_RNA)
where:
Base-Base interactions energy: -387.814
where: short stacking energy: -147.216
Base-Backbone interact. energy: -0.728
local terms energy: -142.489656
where:
bonds (distance) C4'-P energy: -25.898
bonds (distance) P-C4' energy: -16.882
flat angles C4'-P-C4' energy: -32.455
flat angles P-C4'-P energy: -22.614
tors. eta vs tors. theta energy: -44.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -538.380368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.380368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.380368 (E_RNA)
where:
Base-Base interactions energy: -394.614
where: short stacking energy: -150.797
Base-Backbone interact. energy: -0.006
local terms energy: -143.760220
where:
bonds (distance) C4'-P energy: -29.534
bonds (distance) P-C4' energy: -24.127
flat angles C4'-P-C4' energy: -30.536
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -46.163
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: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -523.954102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.954102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.954102 (E_RNA)
where:
Base-Base interactions energy: -376.488
where: short stacking energy: -147.026
Base-Backbone interact. energy: -0.040
local terms energy: -147.426713
where:
bonds (distance) C4'-P energy: -28.001
bonds (distance) P-C4' energy: -23.196
flat angles C4'-P-C4' energy: -29.610
flat angles P-C4'-P energy: -21.624
tors. eta vs tors. theta energy: -44.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -506.599402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.599402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.599402 (E_RNA)
where:
Base-Base interactions energy: -377.053
where: short stacking energy: -148.924
Base-Backbone interact. energy: -0.514
local terms energy: -129.032513
where:
bonds (distance) C4'-P energy: -22.946
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -26.573
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -42.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -506.218739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.218739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.218739 (E_RNA)
where:
Base-Base interactions energy: -368.490
where: short stacking energy: -140.111
Base-Backbone interact. energy: -0.004
local terms energy: -137.724328
where:
bonds (distance) C4'-P energy: -26.176
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -30.748
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -45.705
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: 3
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -504.903106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.903106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.903106 (E_RNA)
where:
Base-Base interactions energy: -378.075
where: short stacking energy: -141.247
Base-Backbone interact. energy: -0.688
local terms energy: -126.140454
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -21.137
flat angles C4'-P-C4' energy: -25.611
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -42.929
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: 308
Temperature: 1.350000
Total energy: -494.637030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.637030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.637030 (E_RNA)
where:
Base-Base interactions energy: -367.724
where: short stacking energy: -143.964
Base-Backbone interact. energy: 0.719
local terms energy: -127.631686
where:
bonds (distance) C4'-P energy: -24.079
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -29.008
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: -39.136
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: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -563.316745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.316745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.316745 (E_RNA)
where:
Base-Base interactions energy: -408.795
where: short stacking energy: -163.556
Base-Backbone interact. energy: -0.001
local terms energy: -154.520576
where:
bonds (distance) C4'-P energy: -27.263
bonds (distance) P-C4' energy: -23.773
flat angles C4'-P-C4' energy: -33.403
flat angles P-C4'-P energy: -22.041
tors. eta vs tors. theta energy: -48.040
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: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -556.522892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.522892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.522892 (E_RNA)
where:
Base-Base interactions energy: -400.279
where: short stacking energy: -160.574
Base-Backbone interact. energy: -0.431
local terms energy: -155.812805
where:
bonds (distance) C4'-P energy: -26.346
bonds (distance) P-C4' energy: -27.173
flat angles C4'-P-C4' energy: -31.592
flat angles P-C4'-P energy: -23.247
tors. eta vs tors. theta energy: -47.456
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: 3, replica: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -540.100908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.100908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.100908 (E_RNA)
where:
Base-Base interactions energy: -399.589
where: short stacking energy: -152.079
Base-Backbone interact. energy: -0.491
local terms energy: -140.020824
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -26.088
flat angles C4'-P-C4' energy: -25.086
flat angles P-C4'-P energy: -25.325
tors. eta vs tors. theta energy: -47.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -540.629523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.629523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.629523 (E_RNA)
where:
Base-Base interactions energy: -394.297
where: short stacking energy: -154.323
Base-Backbone interact. energy: -0.525
local terms energy: -145.807563
where:
bonds (distance) C4'-P energy: -26.643
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -27.780
flat angles P-C4'-P energy: -25.785
tors. eta vs tors. theta energy: -46.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -528.558203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.558203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.558203 (E_RNA)
where:
Base-Base interactions energy: -389.863
where: short stacking energy: -147.664
Base-Backbone interact. energy: -0.751
local terms energy: -137.944245
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -20.947
flat angles C4'-P-C4' energy: -31.270
flat angles P-C4'-P energy: -19.562
tors. eta vs tors. theta energy: -45.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -531.409752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.409752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.409752 (E_RNA)
where:
Base-Base interactions energy: -392.538
where: short stacking energy: -156.894
Base-Backbone interact. energy: -0.723
local terms energy: -138.148789
where:
bonds (distance) C4'-P energy: -25.503
bonds (distance) P-C4' energy: -20.093
flat angles C4'-P-C4' energy: -25.074
flat angles P-C4'-P energy: -22.461
tors. eta vs tors. theta energy: -45.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -523.429311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.429311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.429311 (E_RNA)
where:
Base-Base interactions energy: -373.921
where: short stacking energy: -142.393
Base-Backbone interact. energy: -0.639
local terms energy: -148.869382
where:
bonds (distance) C4'-P energy: -27.115
bonds (distance) P-C4' energy: -22.857
flat angles C4'-P-C4' energy: -32.313
flat angles P-C4'-P energy: -22.058
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: 8, replica: 3
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -497.963603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.963603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.963603 (E_RNA)
where:
Base-Base interactions energy: -378.669
where: short stacking energy: -144.982
Base-Backbone interact. energy: -0.084
local terms energy: -119.210716
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -25.879
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -42.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -481.171824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.171824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.171824 (E_RNA)
where:
Base-Base interactions energy: -363.201
where: short stacking energy: -138.553
Base-Backbone interact. energy: -0.242
local terms energy: -117.728754
where:
bonds (distance) C4'-P energy: -19.028
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -25.172
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -43.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -500.033608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.033608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.033608 (E_RNA)
where:
Base-Base interactions energy: -370.983
where: short stacking energy: -138.227
Base-Backbone interact. energy: -0.841
local terms energy: -128.208859
where:
bonds (distance) C4'-P energy: -24.030
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -24.999
flat angles P-C4'-P energy: -15.272
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: 1, replica: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -556.684671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.684671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.684671 (E_RNA)
where:
Base-Base interactions energy: -399.722
where: short stacking energy: -153.347
Base-Backbone interact. energy: -0.848
local terms energy: -156.115040
where:
bonds (distance) C4'-P energy: -28.742
bonds (distance) P-C4' energy: -29.715
flat angles C4'-P-C4' energy: -26.062
flat angles P-C4'-P energy: -23.625
tors. eta vs tors. theta energy: -47.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -565.039885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.039885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.039885 (E_RNA)
where:
Base-Base interactions energy: -410.609
where: short stacking energy: -159.855
Base-Backbone interact. energy: -0.001
local terms energy: -154.430297
where:
bonds (distance) C4'-P energy: -24.618
bonds (distance) P-C4' energy: -28.952
flat angles C4'-P-C4' energy: -32.407
flat angles P-C4'-P energy: -19.915
tors. eta vs tors. theta energy: -48.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -546.633245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.633245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.633245 (E_RNA)
where:
Base-Base interactions energy: -400.560
where: short stacking energy: -159.786
Base-Backbone interact. energy: -1.262
local terms energy: -144.811023
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -28.170
flat angles C4'-P-C4' energy: -27.120
flat angles P-C4'-P energy: -25.525
tors. eta vs tors. theta energy: -47.052
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: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -540.255502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.255502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.255502 (E_RNA)
where:
Base-Base interactions energy: -384.266
where: short stacking energy: -152.301
Base-Backbone interact. energy: -0.010
local terms energy: -155.979534
where:
bonds (distance) C4'-P energy: -27.743
bonds (distance) P-C4' energy: -29.787
flat angles C4'-P-C4' energy: -32.175
flat angles P-C4'-P energy: -18.316
tors. eta vs tors. theta energy: -47.959
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: 5, replica: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -526.666908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.666908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.666908 (E_RNA)
where:
Base-Base interactions energy: -389.141
where: short stacking energy: -147.873
Base-Backbone interact. energy: -0.098
local terms energy: -137.428007
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -22.365
flat angles C4'-P-C4' energy: -33.402
flat angles P-C4'-P energy: -19.872
tors. eta vs tors. theta energy: -44.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -517.331086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.331086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.331086 (E_RNA)
where:
Base-Base interactions energy: -381.942
where: short stacking energy: -151.263
Base-Backbone interact. energy: -0.002
local terms energy: -135.386650
where:
bonds (distance) C4'-P energy: -21.889
bonds (distance) P-C4' energy: -22.984
flat angles C4'-P-C4' energy: -26.531
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: -47.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -522.009225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.009225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.009225 (E_RNA)
where:
Base-Base interactions energy: -382.741
where: short stacking energy: -146.855
Base-Backbone interact. energy: -0.035
local terms energy: -139.232321
where:
bonds (distance) C4'-P energy: -26.549
bonds (distance) P-C4' energy: -22.160
flat angles C4'-P-C4' energy: -23.651
flat angles P-C4'-P energy: -21.882
tors. eta vs tors. theta energy: -44.991
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: 3
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -507.944056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.944056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.944056 (E_RNA)
where:
Base-Base interactions energy: -370.807
where: short stacking energy: -140.907
Base-Backbone interact. energy: -0.110
local terms energy: -137.027327
where:
bonds (distance) C4'-P energy: -26.371
bonds (distance) P-C4' energy: -21.360
flat angles C4'-P-C4' energy: -24.741
flat angles P-C4'-P energy: -22.764
tors. eta vs tors. theta energy: -41.791
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: 9, replica: 2
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -500.845688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.845688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.845688 (E_RNA)
where:
Base-Base interactions energy: -375.475
where: short stacking energy: -142.752
Base-Backbone interact. energy: -0.654
local terms energy: -124.717162
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -30.591
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -42.104
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: 8
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -492.830146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.830146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.830146 (E_RNA)
where:
Base-Base interactions energy: -373.267
where: short stacking energy: -139.291
Base-Backbone interact. energy: -0.759
local terms energy: -118.803714
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -22.472
flat angles P-C4'-P energy: -15.577
tors. eta vs tors. theta energy: -43.294
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: 1, replica: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -567.518843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.518843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.518843 (E_RNA)
where:
Base-Base interactions energy: -401.287
where: short stacking energy: -160.742
Base-Backbone interact. energy: -0.312
local terms energy: -165.920009
where:
bonds (distance) C4'-P energy: -28.443
bonds (distance) P-C4' energy: -32.784
flat angles C4'-P-C4' energy: -32.730
flat angles P-C4'-P energy: -24.691
tors. eta vs tors. theta energy: -47.271
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: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -552.543078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.543078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.543078 (E_RNA)
where:
Base-Base interactions energy: -398.971
where: short stacking energy: -157.886
Base-Backbone interact. energy: -0.894
local terms energy: -152.677480
where:
bonds (distance) C4'-P energy: -27.410
bonds (distance) P-C4' energy: -26.009
flat angles C4'-P-C4' energy: -30.751
flat angles P-C4'-P energy: -22.760
tors. eta vs tors. theta energy: -45.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -548.548691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.548691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.548691 (E_RNA)
where:
Base-Base interactions energy: -399.188
where: short stacking energy: -153.774
Base-Backbone interact. energy: -0.607
local terms energy: -148.753406
where:
bonds (distance) C4'-P energy: -25.324
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -29.665
flat angles P-C4'-P energy: -22.293
tors. eta vs tors. theta energy: -47.003
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: 6
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -537.287322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.287322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.287322 (E_RNA)
where:
Base-Base interactions energy: -390.781
where: short stacking energy: -152.862
Base-Backbone interact. energy: -0.587
local terms energy: -145.919548
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -25.110
flat angles C4'-P-C4' energy: -33.956
flat angles P-C4'-P energy: -21.442
tors. eta vs tors. theta energy: -45.677
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: 4
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -531.989516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.989516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.989516 (E_RNA)
where:
Base-Base interactions energy: -399.095
where: short stacking energy: -157.606
Base-Backbone interact. energy: -0.262
local terms energy: -132.632976
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -25.663
flat angles P-C4'-P energy: -22.578
tors. eta vs tors. theta energy: -46.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -532.731084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.731084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.731084 (E_RNA)
where:
Base-Base interactions energy: -385.004
where: short stacking energy: -150.229
Base-Backbone interact. energy: -0.203
local terms energy: -147.523883
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -29.867
flat angles C4'-P-C4' energy: -27.312
flat angles P-C4'-P energy: -22.086
tors. eta vs tors. theta energy: -44.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -531.489996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.489996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.489996 (E_RNA)
where:
Base-Base interactions energy: -390.487
where: short stacking energy: -148.933
Base-Backbone interact. energy: -0.034
local terms energy: -140.969062
where:
bonds (distance) C4'-P energy: -24.174
bonds (distance) P-C4' energy: -25.723
flat angles C4'-P-C4' energy: -27.914
flat angles P-C4'-P energy: -18.528
tors. eta vs tors. theta energy: -44.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -517.932556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.932556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.932556 (E_RNA)
where:
Base-Base interactions energy: -381.476
where: short stacking energy: -148.121
Base-Backbone interact. energy: -0.326
local terms energy: -136.130633
where:
bonds (distance) C4'-P energy: -25.309
bonds (distance) P-C4' energy: -28.569
flat angles C4'-P-C4' energy: -28.302
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -41.828
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: 311
Temperature: 1.300000
Total energy: -514.096758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.096758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.096758 (E_RNA)
where:
Base-Base interactions energy: -371.232
where: short stacking energy: -146.575
Base-Backbone interact. energy: -0.174
local terms energy: -142.690600
where:
bonds (distance) C4'-P energy: -24.299
bonds (distance) P-C4' energy: -26.058
flat angles C4'-P-C4' energy: -27.485
flat angles P-C4'-P energy: -21.235
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: 10, replica: 8
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -497.377308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.377308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.377308 (E_RNA)
where:
Base-Base interactions energy: -358.605
where: short stacking energy: -133.720
Base-Backbone interact. energy: -1.497
local terms energy: -137.275141
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -27.301
flat angles C4'-P-C4' energy: -27.547
flat angles P-C4'-P energy: -19.456
tors. eta vs tors. theta energy: -42.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -557.182715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.182715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.182715 (E_RNA)
where:
Base-Base interactions energy: -403.316
where: short stacking energy: -157.290
Base-Backbone interact. energy: -0.181
local terms energy: -153.685745
where:
bonds (distance) C4'-P energy: -26.512
bonds (distance) P-C4' energy: -28.177
flat angles C4'-P-C4' energy: -32.258
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -45.377
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: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -558.566791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.566791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.566791 (E_RNA)
where:
Base-Base interactions energy: -407.194
where: short stacking energy: -157.349
Base-Backbone interact. energy: -1.847
local terms energy: -149.525578
where:
bonds (distance) C4'-P energy: -23.120
bonds (distance) P-C4' energy: -23.856
flat angles C4'-P-C4' energy: -30.781
flat angles P-C4'-P energy: -23.382
tors. eta vs tors. theta energy: -48.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -546.849431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.849431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.849431 (E_RNA)
where:
Base-Base interactions energy: -393.507
where: short stacking energy: -154.575
Base-Backbone interact. energy: -1.624
local terms energy: -151.719318
where:
bonds (distance) C4'-P energy: -28.743
bonds (distance) P-C4' energy: -27.956
flat angles C4'-P-C4' energy: -29.258
flat angles P-C4'-P energy: -20.987
tors. eta vs tors. theta energy: -44.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -552.174987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.174987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.174987 (E_RNA)
where:
Base-Base interactions energy: -397.539
where: short stacking energy: -156.780
Base-Backbone interact. energy: -0.200
local terms energy: -154.436351
where:
bonds (distance) C4'-P energy: -26.424
bonds (distance) P-C4' energy: -27.084
flat angles C4'-P-C4' energy: -29.442
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -47.766
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: 312
Temperature: 1.100000
Total energy: -537.688489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.688489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.688489 (E_RNA)
where:
Base-Base interactions energy: -394.278
where: short stacking energy: -150.630
Base-Backbone interact. energy: -0.157
local terms energy: -143.253802
where:
bonds (distance) C4'-P energy: -22.051
bonds (distance) P-C4' energy: -24.713
flat angles C4'-P-C4' energy: -30.420
flat angles P-C4'-P energy: -19.206
tors. eta vs tors. theta energy: -46.864
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: 6, replica: 5
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -516.096834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.096834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.096834 (E_RNA)
where:
Base-Base interactions energy: -378.735
where: short stacking energy: -150.436
Base-Backbone interact. energy: -0.412
local terms energy: -136.950396
where:
bonds (distance) C4'-P energy: -28.734
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -29.949
flat angles P-C4'-P energy: -18.864
tors. eta vs tors. theta energy: -40.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -522.000764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.000764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.000764 (E_RNA)
where:
Base-Base interactions energy: -373.662
where: short stacking energy: -147.637
Base-Backbone interact. energy: -0.588
local terms energy: -147.750887
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -28.932
flat angles C4'-P-C4' energy: -33.145
flat angles P-C4'-P energy: -18.941
tors. eta vs tors. theta energy: -46.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -522.189640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.189640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.189640 (E_RNA)
where:
Base-Base interactions energy: -383.871
where: short stacking energy: -150.520
Base-Backbone interact. energy: -0.555
local terms energy: -137.762842
where:
bonds (distance) C4'-P energy: -21.487
bonds (distance) P-C4' energy: -24.884
flat angles C4'-P-C4' energy: -24.713
flat angles P-C4'-P energy: -19.977
tors. eta vs tors. theta energy: -46.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -499.003019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.003019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.003019 (E_RNA)
where:
Base-Base interactions energy: -367.854
where: short stacking energy: -146.681
Base-Backbone interact. energy: -0.303
local terms energy: -130.846412
where:
bonds (distance) C4'-P energy: -21.360
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -26.100
flat angles P-C4'-P energy: -20.412
tors. eta vs tors. theta energy: -40.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -477.121020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.121020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.121020 (E_RNA)
where:
Base-Base interactions energy: -349.595
where: short stacking energy: -139.687
Base-Backbone interact. energy: -1.108
local terms energy: -126.417242
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -23.821
flat angles C4'-P-C4' energy: -24.592
flat angles P-C4'-P energy: -20.629
tors. eta vs tors. theta energy: -42.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -562.969725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.969725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.969725 (E_RNA)
where:
Base-Base interactions energy: -409.981
where: short stacking energy: -158.394
Base-Backbone interact. energy: -2.120
local terms energy: -150.868098
where:
bonds (distance) C4'-P energy: -26.399
bonds (distance) P-C4' energy: -24.441
flat angles C4'-P-C4' energy: -30.810
flat angles P-C4'-P energy: -22.449
tors. eta vs tors. theta energy: -46.769
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: 2, replica: 6
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -553.823339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.823339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.823339 (E_RNA)
where:
Base-Base interactions energy: -402.586
where: short stacking energy: -157.218
Base-Backbone interact. energy: -0.980
local terms energy: -150.257960
where:
bonds (distance) C4'-P energy: -26.467
bonds (distance) P-C4' energy: -27.548
flat angles C4'-P-C4' energy: -30.463
flat angles P-C4'-P energy: -21.588
tors. eta vs tors. theta energy: -44.193
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: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -554.831390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.831390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.831390 (E_RNA)
where:
Base-Base interactions energy: -404.061
where: short stacking energy: -155.566
Base-Backbone interact. energy: -0.295
local terms energy: -150.475484
where:
bonds (distance) C4'-P energy: -22.726
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -32.449
flat angles P-C4'-P energy: -21.814
tors. eta vs tors. theta energy: -46.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -539.279372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.279372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.279372 (E_RNA)
where:
Base-Base interactions energy: -387.389
where: short stacking energy: -152.873
Base-Backbone interact. energy: 1.029
local terms energy: -152.918657
where:
bonds (distance) C4'-P energy: -25.935
bonds (distance) P-C4' energy: -29.480
flat angles C4'-P-C4' energy: -31.339
flat angles P-C4'-P energy: -23.068
tors. eta vs tors. theta energy: -43.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -524.356751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.356751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.356751 (E_RNA)
where:
Base-Base interactions energy: -382.748
where: short stacking energy: -139.916
Base-Backbone interact. energy: -0.963
local terms energy: -140.645763
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -29.243
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: -46.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -517.773018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.773018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.773018 (E_RNA)
where:
Base-Base interactions energy: -385.486
where: short stacking energy: -148.486
Base-Backbone interact. energy: 1.038
local terms energy: -133.325182
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -26.064
flat angles C4'-P-C4' energy: -29.863
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -43.399
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: 5
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -519.963168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.963168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.963168 (E_RNA)
where:
Base-Base interactions energy: -379.185
where: short stacking energy: -150.459
Base-Backbone interact. energy: -0.102
local terms energy: -140.675529
where:
bonds (distance) C4'-P energy: -24.306
bonds (distance) P-C4' energy: -24.520
flat angles C4'-P-C4' energy: -31.723
flat angles P-C4'-P energy: -18.674
tors. eta vs tors. theta energy: -41.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -516.452103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.452103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.452103 (E_RNA)
where:
Base-Base interactions energy: -385.028
where: short stacking energy: -151.253
Base-Backbone interact. energy: 0.181
local terms energy: -131.604906
where:
bonds (distance) C4'-P energy: -22.254
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -28.495
flat angles P-C4'-P energy: -21.634
tors. eta vs tors. theta energy: -43.624
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: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -498.354434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.354434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.354434 (E_RNA)
where:
Base-Base interactions energy: -372.799
where: short stacking energy: -140.304
Base-Backbone interact. energy: -0.050
local terms energy: -125.505111
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -23.215
flat angles C4'-P-C4' energy: -25.702
flat angles P-C4'-P energy: -18.536
tors. eta vs tors. theta energy: -40.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -493.663757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.663757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.663757 (E_RNA)
where:
Base-Base interactions energy: -370.934
where: short stacking energy: -137.675
Base-Backbone interact. energy: -0.819
local terms energy: -121.910240
where:
bonds (distance) C4'-P energy: -19.518
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -29.319
flat angles P-C4'-P energy: -17.261
tors. eta vs tors. theta energy: -41.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -560.830489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.830489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.830489 (E_RNA)
where:
Base-Base interactions energy: -401.780
where: short stacking energy: -152.163
Base-Backbone interact. energy: -1.708
local terms energy: -157.343041
where:
bonds (distance) C4'-P energy: -26.927
bonds (distance) P-C4' energy: -28.345
flat angles C4'-P-C4' energy: -30.250
flat angles P-C4'-P energy: -25.148
tors. eta vs tors. theta energy: -46.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -552.155700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.155700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.155700 (E_RNA)
where:
Base-Base interactions energy: -393.168
where: short stacking energy: -151.270
Base-Backbone interact. energy: -0.294
local terms energy: -158.693462
where:
bonds (distance) C4'-P energy: -26.549
bonds (distance) P-C4' energy: -30.150
flat angles C4'-P-C4' energy: -31.455
flat angles P-C4'-P energy: -22.166
tors. eta vs tors. theta energy: -48.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -556.758709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.758709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.758709 (E_RNA)
where:
Base-Base interactions energy: -397.890
where: short stacking energy: -160.972
Base-Backbone interact. energy: -0.727
local terms energy: -158.141353
where:
bonds (distance) C4'-P energy: -24.772
bonds (distance) P-C4' energy: -29.708
flat angles C4'-P-C4' energy: -32.788
flat angles P-C4'-P energy: -24.129
tors. eta vs tors. theta energy: -46.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -544.794272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.794272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.794272 (E_RNA)
where:
Base-Base interactions energy: -391.587
where: short stacking energy: -156.272
Base-Backbone interact. energy: -0.001
local terms energy: -153.206713
where:
bonds (distance) C4'-P energy: -28.533
bonds (distance) P-C4' energy: -24.006
flat angles C4'-P-C4' energy: -30.521
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: -48.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -536.961790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.961790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.961790 (E_RNA)
where:
Base-Base interactions energy: -378.804
where: short stacking energy: -153.237
Base-Backbone interact. energy: -0.678
local terms energy: -157.479722
where:
bonds (distance) C4'-P energy: -25.367
bonds (distance) P-C4' energy: -32.437
flat angles C4'-P-C4' energy: -31.052
flat angles P-C4'-P energy: -21.459
tors. eta vs tors. theta energy: -47.164
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: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -536.527208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.527208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.527208 (E_RNA)
where:
Base-Base interactions energy: -388.744
where: short stacking energy: -151.455
Base-Backbone interact. energy: -0.437
local terms energy: -147.345859
where:
bonds (distance) C4'-P energy: -23.075
bonds (distance) P-C4' energy: -22.730
flat angles C4'-P-C4' energy: -30.882
flat angles P-C4'-P energy: -27.070
tors. eta vs tors. theta energy: -43.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -517.035542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.035542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.035542 (E_RNA)
where:
Base-Base interactions energy: -393.722
where: short stacking energy: -154.091
Base-Backbone interact. energy: -0.266
local terms energy: -123.047314
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -29.368
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -44.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -512.517258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.517258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.517258 (E_RNA)
where:
Base-Base interactions energy: -379.757
where: short stacking energy: -146.597
Base-Backbone interact. energy: -0.293
local terms energy: -132.467111
where:
bonds (distance) C4'-P energy: -21.538
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -30.523
flat angles P-C4'-P energy: -19.335
tors. eta vs tors. theta energy: -39.020
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: 314
Temperature: 1.300000
Total energy: -496.291435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.291435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.291435 (E_RNA)
where:
Base-Base interactions energy: -366.261
where: short stacking energy: -142.904
Base-Backbone interact. energy: -0.766
local terms energy: -129.264949
where:
bonds (distance) C4'-P energy: -21.123
bonds (distance) P-C4' energy: -18.872
flat angles C4'-P-C4' energy: -28.947
flat angles P-C4'-P energy: -18.180
tors. eta vs tors. theta energy: -42.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -482.990814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.990814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.990814 (E_RNA)
where:
Base-Base interactions energy: -355.480
where: short stacking energy: -136.849
Base-Backbone interact. energy: -0.012
local terms energy: -127.498466
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -22.049
flat angles C4'-P-C4' energy: -25.238
flat angles P-C4'-P energy: -16.909
tors. eta vs tors. theta energy: -45.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -563.321756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.321756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.321756 (E_RNA)
where:
Base-Base interactions energy: -400.849
where: short stacking energy: -156.582
Base-Backbone interact. energy: -0.294
local terms energy: -162.178949
where:
bonds (distance) C4'-P energy: -27.524
bonds (distance) P-C4' energy: -28.532
flat angles C4'-P-C4' energy: -31.582
flat angles P-C4'-P energy: -27.288
tors. eta vs tors. theta energy: -47.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -551.914593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.914593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.914593 (E_RNA)
where:
Base-Base interactions energy: -399.902
where: short stacking energy: -160.678
Base-Backbone interact. energy: -0.001
local terms energy: -152.012493
where:
bonds (distance) C4'-P energy: -26.016
bonds (distance) P-C4' energy: -26.927
flat angles C4'-P-C4' energy: -31.339
flat angles P-C4'-P energy: -21.955
tors. eta vs tors. theta energy: -45.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -543.727369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.727369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.727369 (E_RNA)
where:
Base-Base interactions energy: -398.809
where: short stacking energy: -148.245
Base-Backbone interact. energy: -0.217
local terms energy: -144.701738
where:
bonds (distance) C4'-P energy: -26.416
bonds (distance) P-C4' energy: -24.908
flat angles C4'-P-C4' energy: -28.772
flat angles P-C4'-P energy: -19.918
tors. eta vs tors. theta energy: -44.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -547.227957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.227957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.227957 (E_RNA)
where:
Base-Base interactions energy: -390.825
where: short stacking energy: -152.916
Base-Backbone interact. energy: -0.559
local terms energy: -155.843486
where:
bonds (distance) C4'-P energy: -25.542
bonds (distance) P-C4' energy: -30.222
flat angles C4'-P-C4' energy: -29.874
flat angles P-C4'-P energy: -24.099
tors. eta vs tors. theta energy: -46.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -535.409822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.409822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.409822 (E_RNA)
where:
Base-Base interactions energy: -391.718
where: short stacking energy: -147.317
Base-Backbone interact. energy: -0.009
local terms energy: -143.682773
where:
bonds (distance) C4'-P energy: -24.126
bonds (distance) P-C4' energy: -24.447
flat angles C4'-P-C4' energy: -27.031
flat angles P-C4'-P energy: -22.917
tors. eta vs tors. theta energy: -45.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -531.171364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.171364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.171364 (E_RNA)
where:
Base-Base interactions energy: -385.270
where: short stacking energy: -146.767
Base-Backbone interact. energy: 1.551
local terms energy: -147.452798
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -27.614
flat angles C4'-P-C4' energy: -27.314
flat angles P-C4'-P energy: -25.729
tors. eta vs tors. theta energy: -44.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -519.075089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.075089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.075089 (E_RNA)
where:
Base-Base interactions energy: -374.655
where: short stacking energy: -150.278
Base-Backbone interact. energy: -0.005
local terms energy: -144.414601
where:
bonds (distance) C4'-P energy: -21.826
bonds (distance) P-C4' energy: -27.603
flat angles C4'-P-C4' energy: -33.634
flat angles P-C4'-P energy: -19.750
tors. eta vs tors. theta energy: -41.602
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: 2
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -514.290731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.290731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.290731 (E_RNA)
where:
Base-Base interactions energy: -370.581
where: short stacking energy: -140.718
Base-Backbone interact. energy: -0.605
local terms energy: -143.104820
where:
bonds (distance) C4'-P energy: -21.281
bonds (distance) P-C4' energy: -28.639
flat angles C4'-P-C4' energy: -29.071
flat angles P-C4'-P energy: -21.476
tors. eta vs tors. theta energy: -42.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -504.382450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.382450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.382450 (E_RNA)
where:
Base-Base interactions energy: -377.023
where: short stacking energy: -145.827
Base-Backbone interact. energy: -0.647
local terms energy: -126.711681
where:
bonds (distance) C4'-P energy: -24.083
bonds (distance) P-C4' energy: -20.356
flat angles C4'-P-C4' energy: -26.154
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -44.231
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: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -499.084198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.084198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.084198 (E_RNA)
where:
Base-Base interactions energy: -363.300
where: short stacking energy: -137.799
Base-Backbone interact. energy: -0.040
local terms energy: -135.744197
where:
bonds (distance) C4'-P energy: -21.472
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -33.324
flat angles P-C4'-P energy: -22.205
tors. eta vs tors. theta energy: -40.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -562.560182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.560182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.560182 (E_RNA)
where:
Base-Base interactions energy: -407.256
where: short stacking energy: -161.468
Base-Backbone interact. energy: -0.268
local terms energy: -155.036455
where:
bonds (distance) C4'-P energy: -21.877
bonds (distance) P-C4' energy: -29.455
flat angles C4'-P-C4' energy: -33.297
flat angles P-C4'-P energy: -23.490
tors. eta vs tors. theta energy: -46.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -560.036759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.036759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.036759 (E_RNA)
where:
Base-Base interactions energy: -410.238
where: short stacking energy: -162.899
Base-Backbone interact. energy: -0.400
local terms energy: -149.398423
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -25.778
flat angles C4'-P-C4' energy: -29.270
flat angles P-C4'-P energy: -24.520
tors. eta vs tors. theta energy: -45.973
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: 3, replica: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -553.363441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.363441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.363441 (E_RNA)
where:
Base-Base interactions energy: -400.782
where: short stacking energy: -160.016
Base-Backbone interact. energy: -0.492
local terms energy: -152.089311
where:
bonds (distance) C4'-P energy: -26.051
bonds (distance) P-C4' energy: -25.381
flat angles C4'-P-C4' energy: -31.099
flat angles P-C4'-P energy: -21.528
tors. eta vs tors. theta energy: -48.031
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: 6
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -535.004429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.004429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.004429 (E_RNA)
where:
Base-Base interactions energy: -386.525
where: short stacking energy: -143.903
Base-Backbone interact. energy: -0.002
local terms energy: -148.477466
where:
bonds (distance) C4'-P energy: -22.173
bonds (distance) P-C4' energy: -27.827
flat angles C4'-P-C4' energy: -31.668
flat angles P-C4'-P energy: -21.927
tors. eta vs tors. theta energy: -44.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -553.571621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.571621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.571621 (E_RNA)
where:
Base-Base interactions energy: -395.703
where: short stacking energy: -156.200
Base-Backbone interact. energy: -0.758
local terms energy: -157.110145
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -32.034
flat angles C4'-P-C4' energy: -30.683
flat angles P-C4'-P energy: -23.044
tors. eta vs tors. theta energy: -46.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -536.221572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.221572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.221572 (E_RNA)
where:
Base-Base interactions energy: -381.979
where: short stacking energy: -147.296
Base-Backbone interact. energy: -0.217
local terms energy: -154.025430
where:
bonds (distance) C4'-P energy: -31.860
bonds (distance) P-C4' energy: -24.842
flat angles C4'-P-C4' energy: -29.153
flat angles P-C4'-P energy: -22.473
tors. eta vs tors. theta energy: -45.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -536.714318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.714318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.714318 (E_RNA)
where:
Base-Base interactions energy: -388.081
where: short stacking energy: -157.802
Base-Backbone interact. energy: -0.001
local terms energy: -148.631871
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -27.996
flat angles C4'-P-C4' energy: -31.614
flat angles P-C4'-P energy: -22.291
tors. eta vs tors. theta energy: -46.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -520.654567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.654567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.654567 (E_RNA)
where:
Base-Base interactions energy: -381.715
where: short stacking energy: -146.877
Base-Backbone interact. energy: -0.912
local terms energy: -138.027613
where:
bonds (distance) C4'-P energy: -24.192
bonds (distance) P-C4' energy: -21.669
flat angles C4'-P-C4' energy: -29.574
flat angles P-C4'-P energy: -20.877
tors. eta vs tors. theta energy: -41.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -503.147571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.147571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.147571 (E_RNA)
where:
Base-Base interactions energy: -375.277
where: short stacking energy: -143.864
Base-Backbone interact. energy: 6.162
local terms energy: -134.032655
where:
bonds (distance) C4'-P energy: -26.444
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -26.190
flat angles P-C4'-P energy: -16.952
tors. eta vs tors. theta energy: -43.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -502.448079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.448079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.448079 (E_RNA)
where:
Base-Base interactions energy: -373.358
where: short stacking energy: -140.942
Base-Backbone interact. energy: -0.098
local terms energy: -128.991564
where:
bonds (distance) C4'-P energy: -22.742
bonds (distance) P-C4' energy: -22.075
flat angles C4'-P-C4' energy: -24.312
flat angles P-C4'-P energy: -19.091
tors. eta vs tors. theta energy: -40.771
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: 1, replica: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -569.851015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.851015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.851015 (E_RNA)
where:
Base-Base interactions energy: -408.313
where: short stacking energy: -160.068
Base-Backbone interact. energy: -1.231
local terms energy: -160.307437
where:
bonds (distance) C4'-P energy: -29.177
bonds (distance) P-C4' energy: -33.731
flat angles C4'-P-C4' energy: -28.025
flat angles P-C4'-P energy: -22.991
tors. eta vs tors. theta energy: -46.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -556.461061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.461061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.461061 (E_RNA)
where:
Base-Base interactions energy: -402.140
where: short stacking energy: -162.860
Base-Backbone interact. energy: -0.387
local terms energy: -153.934627
where:
bonds (distance) C4'-P energy: -27.604
bonds (distance) P-C4' energy: -26.108
flat angles C4'-P-C4' energy: -31.758
flat angles P-C4'-P energy: -21.524
tors. eta vs tors. theta energy: -46.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -554.077847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.077847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.077847 (E_RNA)
where:
Base-Base interactions energy: -404.413
where: short stacking energy: -161.786
Base-Backbone interact. energy: -1.548
local terms energy: -148.116584
where:
bonds (distance) C4'-P energy: -21.598
bonds (distance) P-C4' energy: -29.778
flat angles C4'-P-C4' energy: -29.325
flat angles P-C4'-P energy: -20.146
tors. eta vs tors. theta energy: -47.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -543.896642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.896642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.896642 (E_RNA)
where:
Base-Base interactions energy: -395.088
where: short stacking energy: -159.479
Base-Backbone interact. energy: -0.698
local terms energy: -148.110354
where:
bonds (distance) C4'-P energy: -24.670
bonds (distance) P-C4' energy: -29.721
flat angles C4'-P-C4' energy: -25.329
flat angles P-C4'-P energy: -21.028
tors. eta vs tors. theta energy: -47.362
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: 6
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -535.704369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.704369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.704369 (E_RNA)
where:
Base-Base interactions energy: -392.091
where: short stacking energy: -156.853
Base-Backbone interact. energy: -1.903
local terms energy: -141.710761
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -25.267
flat angles P-C4'-P energy: -20.944
tors. eta vs tors. theta energy: -44.574
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: 5
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -529.696529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.696529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.696529 (E_RNA)
where:
Base-Base interactions energy: -386.829
where: short stacking energy: -149.676
Base-Backbone interact. energy: -0.227
local terms energy: -142.640424
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -26.276
flat angles C4'-P-C4' energy: -31.633
flat angles P-C4'-P energy: -18.934
tors. eta vs tors. theta energy: -44.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -529.836149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.836149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.836149 (E_RNA)
where:
Base-Base interactions energy: -382.665
where: short stacking energy: -146.444
Base-Backbone interact. energy: -0.586
local terms energy: -146.584795
where:
bonds (distance) C4'-P energy: -23.938
bonds (distance) P-C4' energy: -27.162
flat angles C4'-P-C4' energy: -26.862
flat angles P-C4'-P energy: -24.044
tors. eta vs tors. theta energy: -44.579
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: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -508.198322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.198322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.198322 (E_RNA)
where:
Base-Base interactions energy: -379.536
where: short stacking energy: -139.706
Base-Backbone interact. energy: 1.539
local terms energy: -130.201512
where:
bonds (distance) C4'-P energy: -24.750
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -26.750
flat angles P-C4'-P energy: -18.984
tors. eta vs tors. theta energy: -44.831
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: 2
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -507.585454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.585454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.585454 (E_RNA)
where:
Base-Base interactions energy: -369.129
where: short stacking energy: -145.872
Base-Backbone interact. energy: -0.003
local terms energy: -138.453310
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -26.136
flat angles C4'-P-C4' energy: -29.050
flat angles P-C4'-P energy: -19.983
tors. eta vs tors. theta energy: -43.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -484.809983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.809983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.809983 (E_RNA)
where:
Base-Base interactions energy: -353.459
where: short stacking energy: -134.928
Base-Backbone interact. energy: -0.075
local terms energy: -131.275508
where:
bonds (distance) C4'-P energy: -21.708
bonds (distance) P-C4' energy: -20.688
flat angles C4'-P-C4' energy: -26.462
flat angles P-C4'-P energy: -21.085
tors. eta vs tors. theta energy: -41.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -563.844693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.844693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.844693 (E_RNA)
where:
Base-Base interactions energy: -412.671
where: short stacking energy: -161.289
Base-Backbone interact. energy: -0.002
local terms energy: -151.172228
where:
bonds (distance) C4'-P energy: -27.939
bonds (distance) P-C4' energy: -29.142
flat angles C4'-P-C4' energy: -27.648
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -48.607
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: 2, replica: 9
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -551.393052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.393052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.393052 (E_RNA)
where:
Base-Base interactions energy: -407.002
where: short stacking energy: -159.657
Base-Backbone interact. energy: -0.993
local terms energy: -143.398543
where:
bonds (distance) C4'-P energy: -22.605
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -31.303
flat angles P-C4'-P energy: -22.274
tors. eta vs tors. theta energy: -45.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -548.721505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.721505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.721505 (E_RNA)
where:
Base-Base interactions energy: -391.937
where: short stacking energy: -155.003
Base-Backbone interact. energy: -0.660
local terms energy: -156.124359
where:
bonds (distance) C4'-P energy: -24.458
bonds (distance) P-C4' energy: -25.670
flat angles C4'-P-C4' energy: -30.483
flat angles P-C4'-P energy: -27.172
tors. eta vs tors. theta energy: -48.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -549.278946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.278946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.278946 (E_RNA)
where:
Base-Base interactions energy: -400.922
where: short stacking energy: -155.631
Base-Backbone interact. energy: -0.202
local terms energy: -148.155442
where:
bonds (distance) C4'-P energy: -27.268
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -31.201
flat angles P-C4'-P energy: -23.077
tors. eta vs tors. theta energy: -44.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -537.669896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.669896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.669896 (E_RNA)
where:
Base-Base interactions energy: -394.063
where: short stacking energy: -153.537
Base-Backbone interact. energy: -0.332
local terms energy: -143.274431
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -29.327
flat angles C4'-P-C4' energy: -28.647
flat angles P-C4'-P energy: -20.279
tors. eta vs tors. theta energy: -45.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -532.613419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.613419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.613419 (E_RNA)
where:
Base-Base interactions energy: -389.657
where: short stacking energy: -151.495
Base-Backbone interact. energy: -0.231
local terms energy: -142.725493
where:
bonds (distance) C4'-P energy: -27.716
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -28.931
flat angles P-C4'-P energy: -20.879
tors. eta vs tors. theta energy: -43.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -516.713254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.713254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.713254 (E_RNA)
where:
Base-Base interactions energy: -373.693
where: short stacking energy: -148.744
Base-Backbone interact. energy: -1.846
local terms energy: -141.174103
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -23.495
flat angles C4'-P-C4' energy: -28.130
flat angles P-C4'-P energy: -20.704
tors. eta vs tors. theta energy: -46.559
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: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -502.026453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.026453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.026453 (E_RNA)
where:
Base-Base interactions energy: -363.814
where: short stacking energy: -133.114
Base-Backbone interact. energy: -0.105
local terms energy: -138.107796
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -30.535
flat angles C4'-P-C4' energy: -27.153
flat angles P-C4'-P energy: -20.450
tors. eta vs tors. theta energy: -41.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -501.495281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.495281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.495281 (E_RNA)
where:
Base-Base interactions energy: -366.269
where: short stacking energy: -140.667
Base-Backbone interact. energy: -0.155
local terms energy: -135.071649
where:
bonds (distance) C4'-P energy: -20.116
bonds (distance) P-C4' energy: -23.954
flat angles C4'-P-C4' energy: -28.800
flat angles P-C4'-P energy: -19.659
tors. eta vs tors. theta energy: -42.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -496.282729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.282729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.282729 (E_RNA)
where:
Base-Base interactions energy: -372.344
where: short stacking energy: -142.966
Base-Backbone interact. energy: -0.481
local terms energy: -123.457646
where:
bonds (distance) C4'-P energy: -19.865
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -43.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -559.249352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.249352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.249352 (E_RNA)
where:
Base-Base interactions energy: -403.186
where: short stacking energy: -161.557
Base-Backbone interact. energy: -0.415
local terms energy: -155.649264
where:
bonds (distance) C4'-P energy: -26.454
bonds (distance) P-C4' energy: -24.704
flat angles C4'-P-C4' energy: -34.046
flat angles P-C4'-P energy: -21.922
tors. eta vs tors. theta energy: -48.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -549.028042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.028042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.028042 (E_RNA)
where:
Base-Base interactions energy: -400.682
where: short stacking energy: -156.039
Base-Backbone interact. energy: -1.196
local terms energy: -147.149447
where:
bonds (distance) C4'-P energy: -24.195
bonds (distance) P-C4' energy: -22.991
flat angles C4'-P-C4' energy: -28.776
flat angles P-C4'-P energy: -24.032
tors. eta vs tors. theta energy: -47.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -549.480727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.480727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.480727 (E_RNA)
where:
Base-Base interactions energy: -399.349
where: short stacking energy: -156.696
Base-Backbone interact. energy: -0.836
local terms energy: -149.296201
where:
bonds (distance) C4'-P energy: -26.320
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -31.969
flat angles P-C4'-P energy: -19.987
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: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -531.660424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.660424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.660424 (E_RNA)
where:
Base-Base interactions energy: -388.348
where: short stacking energy: -152.377
Base-Backbone interact. energy: -0.534
local terms energy: -142.778484
where:
bonds (distance) C4'-P energy: -24.109
bonds (distance) P-C4' energy: -25.470
flat angles C4'-P-C4' energy: -28.749
flat angles P-C4'-P energy: -19.922
tors. eta vs tors. theta energy: -44.529
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: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -534.895944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.895944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.895944 (E_RNA)
where:
Base-Base interactions energy: -390.537
where: short stacking energy: -149.735
Base-Backbone interact. energy: -0.272
local terms energy: -144.086934
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -27.831
flat angles C4'-P-C4' energy: -29.066
flat angles P-C4'-P energy: -20.743
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: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -535.944379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.944379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.944379 (E_RNA)
where:
Base-Base interactions energy: -390.351
where: short stacking energy: -146.602
Base-Backbone interact. energy: -0.003
local terms energy: -145.590739
where:
bonds (distance) C4'-P energy: -28.081
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -31.299
flat angles P-C4'-P energy: -20.724
tors. eta vs tors. theta energy: -44.767
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: 319
Temperature: 1.200000
Total energy: -527.046922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.046922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.046922 (E_RNA)
where:
Base-Base interactions energy: -387.159
where: short stacking energy: -150.500
Base-Backbone interact. energy: -0.064
local terms energy: -139.823318
where:
bonds (distance) C4'-P energy: -20.069
bonds (distance) P-C4' energy: -30.386
flat angles C4'-P-C4' energy: -30.456
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -45.288
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: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -519.162306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.162306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.162306 (E_RNA)
where:
Base-Base interactions energy: -382.630
where: short stacking energy: -150.828
Base-Backbone interact. energy: -0.001
local terms energy: -136.531448
where:
bonds (distance) C4'-P energy: -27.293
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -31.867
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -45.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -500.745252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.745252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.745252 (E_RNA)
where:
Base-Base interactions energy: -368.407
where: short stacking energy: -138.656
Base-Backbone interact. energy: -0.426
local terms energy: -131.912708
where:
bonds (distance) C4'-P energy: -22.136
bonds (distance) P-C4' energy: -23.003
flat angles C4'-P-C4' energy: -26.348
flat angles P-C4'-P energy: -21.089
tors. eta vs tors. theta energy: -39.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -411.006214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.006214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.006214 (E_RNA)
where:
Base-Base interactions energy: -287.835
where: short stacking energy: -108.580
Base-Backbone interact. energy: 2.266
local terms energy: -125.437085
where:
bonds (distance) C4'-P energy: -23.251
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -27.739
flat angles P-C4'-P energy: -17.534
tors. eta vs tors. theta energy: -30.967
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: 1, replica: 3
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -560.464303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.464303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.464303 (E_RNA)
where:
Base-Base interactions energy: -404.489
where: short stacking energy: -157.412
Base-Backbone interact. energy: -0.854
local terms energy: -155.120764
where:
bonds (distance) C4'-P energy: -24.259
bonds (distance) P-C4' energy: -30.916
flat angles C4'-P-C4' energy: -28.619
flat angles P-C4'-P energy: -23.214
tors. eta vs tors. theta energy: -48.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -546.046571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.046571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.046571 (E_RNA)
where:
Base-Base interactions energy: -393.886
where: short stacking energy: -151.392
Base-Backbone interact. energy: -1.138
local terms energy: -151.021980
where:
bonds (distance) C4'-P energy: -25.000
bonds (distance) P-C4' energy: -27.986
flat angles C4'-P-C4' energy: -32.667
flat angles P-C4'-P energy: -22.159
tors. eta vs tors. theta energy: -43.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -546.581157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.581157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.581157 (E_RNA)
where:
Base-Base interactions energy: -396.927
where: short stacking energy: -154.773
Base-Backbone interact. energy: -0.728
local terms energy: -148.926107
where:
bonds (distance) C4'-P energy: -27.072
bonds (distance) P-C4' energy: -29.547
flat angles C4'-P-C4' energy: -30.614
flat angles P-C4'-P energy: -15.711
tors. eta vs tors. theta energy: -45.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -540.601455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.601455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.601455 (E_RNA)
where:
Base-Base interactions energy: -394.129
where: short stacking energy: -158.294
Base-Backbone interact. energy: -0.634
local terms energy: -145.838500
where:
bonds (distance) C4'-P energy: -23.319
bonds (distance) P-C4' energy: -23.866
flat angles C4'-P-C4' energy: -32.486
flat angles P-C4'-P energy: -19.485
tors. eta vs tors. theta energy: -46.682
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: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -531.321941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.321941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.321941 (E_RNA)
where:
Base-Base interactions energy: -391.044
where: short stacking energy: -151.922
Base-Backbone interact. energy: 1.788
local terms energy: -142.065823
where:
bonds (distance) C4'-P energy: -25.562
bonds (distance) P-C4' energy: -27.766
flat angles C4'-P-C4' energy: -24.963
flat angles P-C4'-P energy: -21.840
tors. eta vs tors. theta energy: -41.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -530.389433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.389433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.389433 (E_RNA)
where:
Base-Base interactions energy: -375.828
where: short stacking energy: -143.466
Base-Backbone interact. energy: -0.691
local terms energy: -153.869769
where:
bonds (distance) C4'-P energy: -22.949
bonds (distance) P-C4' energy: -30.229
flat angles C4'-P-C4' energy: -29.637
flat angles P-C4'-P energy: -23.019
tors. eta vs tors. theta energy: -48.035
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: 7, replica: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -528.003215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.003215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.003215 (E_RNA)
where:
Base-Base interactions energy: -377.731
where: short stacking energy: -143.767
Base-Backbone interact. energy: -0.464
local terms energy: -149.808976
where:
bonds (distance) C4'-P energy: -25.894
bonds (distance) P-C4' energy: -28.928
flat angles C4'-P-C4' energy: -29.564
flat angles P-C4'-P energy: -19.774
tors. eta vs tors. theta energy: -45.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -516.585154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.585154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.585154 (E_RNA)
where:
Base-Base interactions energy: -380.214
where: short stacking energy: -141.139
Base-Backbone interact. energy: -0.294
local terms energy: -136.076927
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -25.999
flat angles C4'-P-C4' energy: -28.821
flat angles P-C4'-P energy: -22.018
tors. eta vs tors. theta energy: -39.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -504.534421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.534421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.534421 (E_RNA)
where:
Base-Base interactions energy: -357.649
where: short stacking energy: -140.550
Base-Backbone interact. energy: -1.643
local terms energy: -145.242707
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -28.602
flat angles C4'-P-C4' energy: -27.582
flat angles P-C4'-P energy: -19.423
tors. eta vs tors. theta energy: -43.712
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: 320
Temperature: 1.350000
Total energy: -389.648324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.648324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.648324 (E_RNA)
where:
Base-Base interactions energy: -286.506
where: short stacking energy: -116.562
Base-Backbone interact. energy: -0.708
local terms energy: -102.435023
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -23.034
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -31.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -565.699793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.699793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.699793 (E_RNA)
where:
Base-Base interactions energy: -405.835
where: short stacking energy: -161.419
Base-Backbone interact. energy: -0.838
local terms energy: -159.027072
where:
bonds (distance) C4'-P energy: -25.883
bonds (distance) P-C4' energy: -30.911
flat angles C4'-P-C4' energy: -32.424
flat angles P-C4'-P energy: -21.605
tors. eta vs tors. theta energy: -48.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -556.606145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.606145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.606145 (E_RNA)
where:
Base-Base interactions energy: -404.730
where: short stacking energy: -161.132
Base-Backbone interact. energy: -0.436
local terms energy: -151.439976
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -26.882
flat angles C4'-P-C4' energy: -29.777
flat angles P-C4'-P energy: -22.378
tors. eta vs tors. theta energy: -48.413
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: 9
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -539.563926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.563926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.563926 (E_RNA)
where:
Base-Base interactions energy: -397.937
where: short stacking energy: -154.247
Base-Backbone interact. energy: -0.233
local terms energy: -141.394615
where:
bonds (distance) C4'-P energy: -22.665
bonds (distance) P-C4' energy: -27.502
flat angles C4'-P-C4' energy: -26.418
flat angles P-C4'-P energy: -19.112
tors. eta vs tors. theta energy: -45.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -538.013583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.013583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.013583 (E_RNA)
where:
Base-Base interactions energy: -393.048
where: short stacking energy: -155.257
Base-Backbone interact. energy: -0.041
local terms energy: -144.924977
where:
bonds (distance) C4'-P energy: -22.508
bonds (distance) P-C4' energy: -29.800
flat angles C4'-P-C4' energy: -28.066
flat angles P-C4'-P energy: -20.684
tors. eta vs tors. theta energy: -43.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -535.934368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.934368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.934368 (E_RNA)
where:
Base-Base interactions energy: -385.378
where: short stacking energy: -143.750
Base-Backbone interact. energy: -0.429
local terms energy: -150.127715
where:
bonds (distance) C4'-P energy: -24.181
bonds (distance) P-C4' energy: -26.465
flat angles C4'-P-C4' energy: -29.784
flat angles P-C4'-P energy: -22.787
tors. eta vs tors. theta energy: -46.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -527.436067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.436067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.436067 (E_RNA)
where:
Base-Base interactions energy: -384.056
where: short stacking energy: -153.959
Base-Backbone interact. energy: -0.295
local terms energy: -143.085245
where:
bonds (distance) C4'-P energy: -25.248
bonds (distance) P-C4' energy: -21.835
flat angles C4'-P-C4' energy: -30.519
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -47.790
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: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -517.318142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.318142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.318142 (E_RNA)
where:
Base-Base interactions energy: -374.007
where: short stacking energy: -144.886
Base-Backbone interact. energy: -0.491
local terms energy: -142.820526
where:
bonds (distance) C4'-P energy: -28.734
bonds (distance) P-C4' energy: -25.800
flat angles C4'-P-C4' energy: -26.517
flat angles P-C4'-P energy: -19.137
tors. eta vs tors. theta energy: -42.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -506.829545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.829545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.829545 (E_RNA)
where:
Base-Base interactions energy: -371.301
where: short stacking energy: -147.466
Base-Backbone interact. energy: -0.557
local terms energy: -134.972008
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -29.824
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: -46.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -506.615539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.615539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.615539 (E_RNA)
where:
Base-Base interactions energy: -377.426
where: short stacking energy: -148.503
Base-Backbone interact. energy: 1.572
local terms energy: -130.761900
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -23.076
flat angles C4'-P-C4' energy: -29.199
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -46.168
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: 10, replica: 2
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -387.360368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.360368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.360368 (E_RNA)
where:
Base-Base interactions energy: -269.259
where: short stacking energy: -112.996
Base-Backbone interact. energy: 0.331
local terms energy: -118.431998
where:
bonds (distance) C4'-P energy: -23.707
bonds (distance) P-C4' energy: -26.070
flat angles C4'-P-C4' energy: -29.377
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -27.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -562.814785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.814785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.814785 (E_RNA)
where:
Base-Base interactions energy: -412.740
where: short stacking energy: -161.228
Base-Backbone interact. energy: -0.572
local terms energy: -149.502727
where:
bonds (distance) C4'-P energy: -25.955
bonds (distance) P-C4' energy: -22.550
flat angles C4'-P-C4' energy: -32.150
flat angles P-C4'-P energy: -21.852
tors. eta vs tors. theta energy: -46.997
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: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -555.109237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.109237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.109237 (E_RNA)
where:
Base-Base interactions energy: -405.699
where: short stacking energy: -158.326
Base-Backbone interact. energy: 3.490
local terms energy: -152.899898
where:
bonds (distance) C4'-P energy: -23.724
bonds (distance) P-C4' energy: -25.376
flat angles C4'-P-C4' energy: -28.008
flat angles P-C4'-P energy: -26.269
tors. eta vs tors. theta energy: -49.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -549.163475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.163475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.163475 (E_RNA)
where:
Base-Base interactions energy: -396.688
where: short stacking energy: -153.152
Base-Backbone interact. energy: -0.290
local terms energy: -152.185066
where:
bonds (distance) C4'-P energy: -23.689
bonds (distance) P-C4' energy: -31.285
flat angles C4'-P-C4' energy: -28.308
flat angles P-C4'-P energy: -22.648
tors. eta vs tors. theta energy: -46.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -550.530337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.530337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.530337 (E_RNA)
where:
Base-Base interactions energy: -398.243
where: short stacking energy: -160.691
Base-Backbone interact. energy: -0.002
local terms energy: -152.285402
where:
bonds (distance) C4'-P energy: -29.780
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -29.110
flat angles P-C4'-P energy: -25.029
tors. eta vs tors. theta energy: -45.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -538.660726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.660726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.660726 (E_RNA)
where:
Base-Base interactions energy: -391.577
where: short stacking energy: -155.866
Base-Backbone interact. energy: -0.293
local terms energy: -146.790535
where:
bonds (distance) C4'-P energy: -27.011
bonds (distance) P-C4' energy: -25.891
flat angles C4'-P-C4' energy: -29.255
flat angles P-C4'-P energy: -17.059
tors. eta vs tors. theta energy: -47.575
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: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -520.340290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.340290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.340290 (E_RNA)
where:
Base-Base interactions energy: -386.084
where: short stacking energy: -151.167
Base-Backbone interact. energy: -0.668
local terms energy: -133.588301
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -32.154
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: -43.754
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: 7
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -517.736309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.736309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.736309 (E_RNA)
where:
Base-Base interactions energy: -379.256
where: short stacking energy: -143.578
Base-Backbone interact. energy: -0.077
local terms energy: -138.403371
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -26.330
flat angles C4'-P-C4' energy: -28.284
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: -47.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -499.405974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.405974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.405974 (E_RNA)
where:
Base-Base interactions energy: -369.885
where: short stacking energy: -146.282
Base-Backbone interact. energy: -0.031
local terms energy: -129.490522
where:
bonds (distance) C4'-P energy: -22.118
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -27.579
flat angles P-C4'-P energy: -20.939
tors. eta vs tors. theta energy: -40.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -529.855189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.855189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.855189 (E_RNA)
where:
Base-Base interactions energy: -388.047
where: short stacking energy: -148.749
Base-Backbone interact. energy: -0.173
local terms energy: -141.635068
where:
bonds (distance) C4'-P energy: -20.542
bonds (distance) P-C4' energy: -20.560
flat angles C4'-P-C4' energy: -30.407
flat angles P-C4'-P energy: -23.843
tors. eta vs tors. theta energy: -46.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -357.206025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.206025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.206025 (E_RNA)
where:
Base-Base interactions energy: -253.521
where: short stacking energy: -102.812
Base-Backbone interact. energy: 0.098
local terms energy: -103.782908
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -28.767
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: 10
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -563.649216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.649216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.649216 (E_RNA)
where:
Base-Base interactions energy: -412.581
where: short stacking energy: -158.479
Base-Backbone interact. energy: -0.043
local terms energy: -151.025236
where:
bonds (distance) C4'-P energy: -28.311
bonds (distance) P-C4' energy: -24.270
flat angles C4'-P-C4' energy: -32.609
flat angles P-C4'-P energy: -20.586
tors. eta vs tors. theta energy: -45.249
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: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -551.895468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.895468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.895468 (E_RNA)
where:
Base-Base interactions energy: -396.970
where: short stacking energy: -155.095
Base-Backbone interact. energy: -0.003
local terms energy: -154.921833
where:
bonds (distance) C4'-P energy: -26.793
bonds (distance) P-C4' energy: -27.791
flat angles C4'-P-C4' energy: -28.801
flat angles P-C4'-P energy: -21.143
tors. eta vs tors. theta energy: -50.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -550.361115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.361115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.361115 (E_RNA)
where:
Base-Base interactions energy: -395.875
where: short stacking energy: -158.110
Base-Backbone interact. energy: -0.083
local terms energy: -154.403114
where:
bonds (distance) C4'-P energy: -23.898
bonds (distance) P-C4' energy: -29.112
flat angles C4'-P-C4' energy: -30.928
flat angles P-C4'-P energy: -22.923
tors. eta vs tors. theta energy: -47.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -545.419710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.419710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.419710 (E_RNA)
where:
Base-Base interactions energy: -391.722
where: short stacking energy: -149.887
Base-Backbone interact. energy: 1.475
local terms energy: -155.172470
where:
bonds (distance) C4'-P energy: -24.171
bonds (distance) P-C4' energy: -30.001
flat angles C4'-P-C4' energy: -27.259
flat angles P-C4'-P energy: -25.736
tors. eta vs tors. theta energy: -48.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -528.823411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.823411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.823411 (E_RNA)
where:
Base-Base interactions energy: -389.334
where: short stacking energy: -149.708
Base-Backbone interact. energy: -0.123
local terms energy: -139.366632
where:
bonds (distance) C4'-P energy: -18.764
bonds (distance) P-C4' energy: -23.681
flat angles C4'-P-C4' energy: -29.434
flat angles P-C4'-P energy: -21.042
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: 6, replica: 7
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -532.617191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.617191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.617191 (E_RNA)
where:
Base-Base interactions energy: -393.427
where: short stacking energy: -154.124
Base-Backbone interact. energy: -0.002
local terms energy: -139.188234
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -22.878
flat angles C4'-P-C4' energy: -31.970
flat angles P-C4'-P energy: -19.459
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: 7, replica: 6
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -523.553943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.553943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.553943 (E_RNA)
where:
Base-Base interactions energy: -380.467
where: short stacking energy: -142.577
Base-Backbone interact. energy: -0.640
local terms energy: -142.446876
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -30.064
flat angles C4'-P-C4' energy: -23.909
flat angles P-C4'-P energy: -21.431
tors. eta vs tors. theta energy: -44.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -497.976134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.976134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.976134 (E_RNA)
where:
Base-Base interactions energy: -364.788
where: short stacking energy: -139.542
Base-Backbone interact. energy: -2.577
local terms energy: -130.610479
where:
bonds (distance) C4'-P energy: -19.617
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -28.446
flat angles P-C4'-P energy: -22.007
tors. eta vs tors. theta energy: -40.726
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: 9, replica: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -514.375312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.375312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.375312 (E_RNA)
where:
Base-Base interactions energy: -376.735
where: short stacking energy: -147.349
Base-Backbone interact. energy: 0.458
local terms energy: -138.098624
where:
bonds (distance) C4'-P energy: -23.427
bonds (distance) P-C4' energy: -25.098
flat angles C4'-P-C4' energy: -28.301
flat angles P-C4'-P energy: -17.138
tors. eta vs tors. theta energy: -44.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -338.879166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.879166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.879166 (E_RNA)
where:
Base-Base interactions energy: -228.409
where: short stacking energy: -99.316
Base-Backbone interact. energy: -1.336
local terms energy: -109.134484
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -28.314
flat angles C4'-P-C4' energy: -24.932
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -29.520
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: 324
Temperature: 0.900000
Total energy: -568.969697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.969697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.969697 (E_RNA)
where:
Base-Base interactions energy: -412.060
where: short stacking energy: -156.686
Base-Backbone interact. energy: -0.013
local terms energy: -156.896330
where:
bonds (distance) C4'-P energy: -27.638
bonds (distance) P-C4' energy: -28.468
flat angles C4'-P-C4' energy: -29.393
flat angles P-C4'-P energy: -23.003
tors. eta vs tors. theta energy: -48.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -568.399288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.399288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.399288 (E_RNA)
where:
Base-Base interactions energy: -402.765
where: short stacking energy: -162.610
Base-Backbone interact. energy: -1.662
local terms energy: -163.971863
where:
bonds (distance) C4'-P energy: -29.450
bonds (distance) P-C4' energy: -27.661
flat angles C4'-P-C4' energy: -32.320
flat angles P-C4'-P energy: -24.938
tors. eta vs tors. theta energy: -49.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -550.777199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.777199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.777199 (E_RNA)
where:
Base-Base interactions energy: -391.475
where: short stacking energy: -154.214
Base-Backbone interact. energy: -0.420
local terms energy: -158.882317
where:
bonds (distance) C4'-P energy: -25.582
bonds (distance) P-C4' energy: -28.491
flat angles C4'-P-C4' energy: -34.984
flat angles P-C4'-P energy: -23.265
tors. eta vs tors. theta energy: -46.560
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: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -544.947905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.947905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.947905 (E_RNA)
where:
Base-Base interactions energy: -393.131
where: short stacking energy: -154.931
Base-Backbone interact. energy: -1.897
local terms energy: -149.919089
where:
bonds (distance) C4'-P energy: -27.256
bonds (distance) P-C4' energy: -25.393
flat angles C4'-P-C4' energy: -28.404
flat angles P-C4'-P energy: -23.534
tors. eta vs tors. theta energy: -45.332
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: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -539.557001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.557001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.557001 (E_RNA)
where:
Base-Base interactions energy: -394.607
where: short stacking energy: -156.340
Base-Backbone interact. energy: -0.389
local terms energy: -144.560925
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -26.057
flat angles C4'-P-C4' energy: -29.855
flat angles P-C4'-P energy: -21.979
tors. eta vs tors. theta energy: -44.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -531.434190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.434190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.434190 (E_RNA)
where:
Base-Base interactions energy: -380.667
where: short stacking energy: -144.521
Base-Backbone interact. energy: -1.152
local terms energy: -149.614935
where:
bonds (distance) C4'-P energy: -25.210
bonds (distance) P-C4' energy: -24.953
flat angles C4'-P-C4' energy: -32.017
flat angles P-C4'-P energy: -23.739
tors. eta vs tors. theta energy: -43.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -527.370694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.370694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.370694 (E_RNA)
where:
Base-Base interactions energy: -382.999
where: short stacking energy: -151.382
Base-Backbone interact. energy: -0.219
local terms energy: -144.152202
where:
bonds (distance) C4'-P energy: -28.212
bonds (distance) P-C4' energy: -23.836
flat angles C4'-P-C4' energy: -26.517
flat angles P-C4'-P energy: -20.500
tors. eta vs tors. theta energy: -45.088
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: 6
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -510.816185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.816185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.816185 (E_RNA)
where:
Base-Base interactions energy: -377.199
where: short stacking energy: -153.128
Base-Backbone interact. energy: -0.003
local terms energy: -133.613830
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -24.905
flat angles C4'-P-C4' energy: -29.027
flat angles P-C4'-P energy: -20.437
tors. eta vs tors. theta energy: -40.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -512.072034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.072034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.072034 (E_RNA)
where:
Base-Base interactions energy: -376.796
where: short stacking energy: -139.980
Base-Backbone interact. energy: -0.014
local terms energy: -135.262504
where:
bonds (distance) C4'-P energy: -21.891
bonds (distance) P-C4' energy: -26.503
flat angles C4'-P-C4' energy: -25.206
flat angles P-C4'-P energy: -18.025
tors. eta vs tors. theta energy: -43.638
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: 2
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -310.768535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.768535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.768535 (E_RNA)
where:
Base-Base interactions energy: -210.683
where: short stacking energy: -88.083
Base-Backbone interact. energy: 0.571
local terms energy: -100.656364
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -29.629
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -17.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -568.866174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.866174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.866174 (E_RNA)
where:
Base-Base interactions energy: -409.703
where: short stacking energy: -161.594
Base-Backbone interact. energy: -1.388
local terms energy: -157.774944
where:
bonds (distance) C4'-P energy: -27.998
bonds (distance) P-C4' energy: -28.242
flat angles C4'-P-C4' energy: -28.745
flat angles P-C4'-P energy: -24.157
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: 2, replica: 10
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -552.451066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.451066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.451066 (E_RNA)
where:
Base-Base interactions energy: -400.536
where: short stacking energy: -160.862
Base-Backbone interact. energy: -0.317
local terms energy: -151.598247
where:
bonds (distance) C4'-P energy: -26.824
bonds (distance) P-C4' energy: -26.688
flat angles C4'-P-C4' energy: -27.009
flat angles P-C4'-P energy: -24.887
tors. eta vs tors. theta energy: -46.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -542.322808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.322808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.322808 (E_RNA)
where:
Base-Base interactions energy: -396.917
where: short stacking energy: -155.474
Base-Backbone interact. energy: -0.143
local terms energy: -145.262018
where:
bonds (distance) C4'-P energy: -24.305
bonds (distance) P-C4' energy: -25.239
flat angles C4'-P-C4' energy: -27.541
flat angles P-C4'-P energy: -22.878
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: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -540.980074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.980074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.980074 (E_RNA)
where:
Base-Base interactions energy: -395.910
where: short stacking energy: -157.372
Base-Backbone interact. energy: -0.321
local terms energy: -144.749851
where:
bonds (distance) C4'-P energy: -29.294
bonds (distance) P-C4' energy: -24.732
flat angles C4'-P-C4' energy: -28.120
flat angles P-C4'-P energy: -18.677
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: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -529.798138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.798138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.798138 (E_RNA)
where:
Base-Base interactions energy: -381.044
where: short stacking energy: -153.535
Base-Backbone interact. energy: -0.204
local terms energy: -148.550292
where:
bonds (distance) C4'-P energy: -26.034
bonds (distance) P-C4' energy: -28.866
flat angles C4'-P-C4' energy: -30.649
flat angles P-C4'-P energy: -16.547
tors. eta vs tors. theta energy: -46.454
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: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -540.478501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.478501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.478501 (E_RNA)
where:
Base-Base interactions energy: -401.263
where: short stacking energy: -159.045
Base-Backbone interact. energy: 0.223
local terms energy: -139.437913
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -21.290
flat angles C4'-P-C4' energy: -31.934
flat angles P-C4'-P energy: -18.865
tors. eta vs tors. theta energy: -47.287
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: 7, replica: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -520.742565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.742565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.742565 (E_RNA)
where:
Base-Base interactions energy: -379.933
where: short stacking energy: -150.305
Base-Backbone interact. energy: -0.001
local terms energy: -140.808477
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -24.819
flat angles C4'-P-C4' energy: -26.017
flat angles P-C4'-P energy: -22.109
tors. eta vs tors. theta energy: -48.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -506.702796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.702796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.702796 (E_RNA)
where:
Base-Base interactions energy: -371.768
where: short stacking energy: -142.612
Base-Backbone interact. energy: -0.213
local terms energy: -134.721477
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -21.427
flat angles C4'-P-C4' energy: -28.736
flat angles P-C4'-P energy: -23.096
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: 9, replica: 6
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -499.863823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.863823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.863823 (E_RNA)
where:
Base-Base interactions energy: -363.366
where: short stacking energy: -142.241
Base-Backbone interact. energy: -1.128
local terms energy: -135.369340
where:
bonds (distance) C4'-P energy: -25.787
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -25.095
flat angles P-C4'-P energy: -22.023
tors. eta vs tors. theta energy: -41.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -299.428899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.428899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.428899 (E_RNA)
where:
Base-Base interactions energy: -198.015
where: short stacking energy: -82.829
Base-Backbone interact. energy: -1.044
local terms energy: -100.369735
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -23.562
flat angles C4'-P-C4' energy: -24.597
flat angles P-C4'-P energy: -16.360
tors. eta vs tors. theta energy: -11.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -570.506268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.506268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.506268 (E_RNA)
where:
Base-Base interactions energy: -406.098
where: short stacking energy: -159.132
Base-Backbone interact. energy: -0.657
local terms energy: -163.751967
where:
bonds (distance) C4'-P energy: -30.871
bonds (distance) P-C4' energy: -27.902
flat angles C4'-P-C4' energy: -30.649
flat angles P-C4'-P energy: -24.664
tors. eta vs tors. theta energy: -49.667
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: 10
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -561.427490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.427490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.427490 (E_RNA)
where:
Base-Base interactions energy: -398.782
where: short stacking energy: -158.861
Base-Backbone interact. energy: -0.833
local terms energy: -161.812048
where:
bonds (distance) C4'-P energy: -27.206
bonds (distance) P-C4' energy: -30.868
flat angles C4'-P-C4' energy: -33.133
flat angles P-C4'-P energy: -22.738
tors. eta vs tors. theta energy: -47.866
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: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -543.620323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.620323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.620323 (E_RNA)
where:
Base-Base interactions energy: -396.893
where: short stacking energy: -155.349
Base-Backbone interact. energy: -0.614
local terms energy: -146.113640
where:
bonds (distance) C4'-P energy: -21.774
bonds (distance) P-C4' energy: -28.517
flat angles C4'-P-C4' energy: -33.792
flat angles P-C4'-P energy: -17.504
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: 4, replica: 3
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -542.115703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.115703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.115703 (E_RNA)
where:
Base-Base interactions energy: -387.610
where: short stacking energy: -151.641
Base-Backbone interact. energy: -0.485
local terms energy: -154.021309
where:
bonds (distance) C4'-P energy: -30.365
bonds (distance) P-C4' energy: -28.523
flat angles C4'-P-C4' energy: -29.816
flat angles P-C4'-P energy: -18.925
tors. eta vs tors. theta energy: -46.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -517.135734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.135734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.135734 (E_RNA)
where:
Base-Base interactions energy: -372.892
where: short stacking energy: -141.591
Base-Backbone interact. energy: -0.005
local terms energy: -144.239222
where:
bonds (distance) C4'-P energy: -27.081
bonds (distance) P-C4' energy: -26.518
flat angles C4'-P-C4' energy: -25.396
flat angles P-C4'-P energy: -23.415
tors. eta vs tors. theta energy: -41.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -526.121367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.121367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.121367 (E_RNA)
where:
Base-Base interactions energy: -387.835
where: short stacking energy: -153.193
Base-Backbone interact. energy: -0.065
local terms energy: -138.222156
where:
bonds (distance) C4'-P energy: -24.829
bonds (distance) P-C4' energy: -20.833
flat angles C4'-P-C4' energy: -24.532
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -48.194
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: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -532.475303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.475303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.475303 (E_RNA)
where:
Base-Base interactions energy: -386.602
where: short stacking energy: -150.130
Base-Backbone interact. energy: -0.001
local terms energy: -145.872072
where:
bonds (distance) C4'-P energy: -21.429
bonds (distance) P-C4' energy: -27.174
flat angles C4'-P-C4' energy: -29.212
flat angles P-C4'-P energy: -21.985
tors. eta vs tors. theta energy: -46.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -500.229913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.229913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.229913 (E_RNA)
where:
Base-Base interactions energy: -363.415
where: short stacking energy: -137.990
Base-Backbone interact. energy: -0.212
local terms energy: -136.602698
where:
bonds (distance) C4'-P energy: -25.659
bonds (distance) P-C4' energy: -22.875
flat angles C4'-P-C4' energy: -24.593
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -42.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -508.619396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.619396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.619396 (E_RNA)
where:
Base-Base interactions energy: -362.302
where: short stacking energy: -144.039
Base-Backbone interact. energy: -0.108
local terms energy: -146.209888
where:
bonds (distance) C4'-P energy: -27.739
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -29.151
flat angles P-C4'-P energy: -19.679
tors. eta vs tors. theta energy: -46.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -292.106294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.106294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.106294 (E_RNA)
where:
Base-Base interactions energy: -190.168
where: short stacking energy: -85.151
Base-Backbone interact. energy: 0.464
local terms energy: -102.402399
where:
bonds (distance) C4'-P energy: -21.863
bonds (distance) P-C4' energy: -23.134
flat angles C4'-P-C4' energy: -24.940
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -562.678536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.678536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.678536 (E_RNA)
where:
Base-Base interactions energy: -411.641
where: short stacking energy: -155.901
Base-Backbone interact. energy: -1.158
local terms energy: -149.879463
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -25.984
flat angles C4'-P-C4' energy: -29.075
flat angles P-C4'-P energy: -26.186
tors. eta vs tors. theta energy: -45.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -556.380420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.380420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.380420 (E_RNA)
where:
Base-Base interactions energy: -406.520
where: short stacking energy: -159.879
Base-Backbone interact. energy: -0.966
local terms energy: -148.893861
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -29.059
flat angles C4'-P-C4' energy: -31.534
flat angles P-C4'-P energy: -19.421
tors. eta vs tors. theta energy: -44.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -557.917202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.917202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.917202 (E_RNA)
where:
Base-Base interactions energy: -404.598
where: short stacking energy: -158.369
Base-Backbone interact. energy: -1.634
local terms energy: -151.685319
where:
bonds (distance) C4'-P energy: -25.984
bonds (distance) P-C4' energy: -23.362
flat angles C4'-P-C4' energy: -30.698
flat angles P-C4'-P energy: -25.355
tors. eta vs tors. theta energy: -46.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -541.592571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.592571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.592571 (E_RNA)
where:
Base-Base interactions energy: -394.617
where: short stacking energy: -149.318
Base-Backbone interact. energy: -1.500
local terms energy: -145.475450
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -28.580
flat angles C4'-P-C4' energy: -27.873
flat angles P-C4'-P energy: -23.551
tors. eta vs tors. theta energy: -45.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -527.607950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.607950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.607950 (E_RNA)
where:
Base-Base interactions energy: -387.507
where: short stacking energy: -156.704
Base-Backbone interact. energy: -2.109
local terms energy: -137.992400
where:
bonds (distance) C4'-P energy: -22.166
bonds (distance) P-C4' energy: -23.837
flat angles C4'-P-C4' energy: -28.988
flat angles P-C4'-P energy: -17.014
tors. eta vs tors. theta energy: -45.988
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: 9
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -527.650289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.650289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.650289 (E_RNA)
where:
Base-Base interactions energy: -386.130
where: short stacking energy: -152.227
Base-Backbone interact. energy: -0.082
local terms energy: -141.437703
where:
bonds (distance) C4'-P energy: -24.341
bonds (distance) P-C4' energy: -27.184
flat angles C4'-P-C4' energy: -27.630
flat angles P-C4'-P energy: -19.604
tors. eta vs tors. theta energy: -42.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -527.862530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.862530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.862530 (E_RNA)
where:
Base-Base interactions energy: -377.430
where: short stacking energy: -143.559
Base-Backbone interact. energy: -1.200
local terms energy: -149.232822
where:
bonds (distance) C4'-P energy: -24.819
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -30.869
flat angles P-C4'-P energy: -29.212
tors. eta vs tors. theta energy: -42.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -494.927138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.927138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.927138 (E_RNA)
where:
Base-Base interactions energy: -359.927
where: short stacking energy: -143.883
Base-Backbone interact. energy: -0.019
local terms energy: -134.981600
where:
bonds (distance) C4'-P energy: -25.529
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -28.178
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -44.019
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: 1
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -506.568544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.568544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.568544 (E_RNA)
where:
Base-Base interactions energy: -377.213
where: short stacking energy: -141.752
Base-Backbone interact. energy: -0.373
local terms energy: -128.981950
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -29.235
flat angles P-C4'-P energy: -17.682
tors. eta vs tors. theta energy: -43.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -320.526939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.526939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.526939 (E_RNA)
where:
Base-Base interactions energy: -196.465
where: short stacking energy: -82.625
Base-Backbone interact. energy: -0.020
local terms energy: -124.041493
where:
bonds (distance) C4'-P energy: -28.887
bonds (distance) P-C4' energy: -33.631
flat angles C4'-P-C4' energy: -21.146
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -24.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -558.170786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.170786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.170786 (E_RNA)
where:
Base-Base interactions energy: -402.999
where: short stacking energy: -157.915
Base-Backbone interact. energy: -0.870
local terms energy: -154.301937
where:
bonds (distance) C4'-P energy: -28.381
bonds (distance) P-C4' energy: -28.654
flat angles C4'-P-C4' energy: -28.197
flat angles P-C4'-P energy: -22.235
tors. eta vs tors. theta energy: -46.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -552.614402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.614402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.614402 (E_RNA)
where:
Base-Base interactions energy: -402.967
where: short stacking energy: -162.547
Base-Backbone interact. energy: -0.044
local terms energy: -149.603210
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -31.800
flat angles C4'-P-C4' energy: -32.169
flat angles P-C4'-P energy: -16.983
tors. eta vs tors. theta energy: -45.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -545.846948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.846948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.846948 (E_RNA)
where:
Base-Base interactions energy: -394.716
where: short stacking energy: -153.965
Base-Backbone interact. energy: -0.748
local terms energy: -150.383221
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -27.673
flat angles C4'-P-C4' energy: -29.524
flat angles P-C4'-P energy: -20.526
tors. eta vs tors. theta energy: -49.251
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: 7
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -547.588013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.588013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.588013 (E_RNA)
where:
Base-Base interactions energy: -394.293
where: short stacking energy: -154.446
Base-Backbone interact. energy: -2.424
local terms energy: -150.870749
where:
bonds (distance) C4'-P energy: -25.612
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -30.251
flat angles P-C4'-P energy: -27.053
tors. eta vs tors. theta energy: -46.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -543.470443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.470443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.470443 (E_RNA)
where:
Base-Base interactions energy: -390.177
where: short stacking energy: -150.843
Base-Backbone interact. energy: -0.001
local terms energy: -153.292418
where:
bonds (distance) C4'-P energy: -25.125
bonds (distance) P-C4' energy: -31.740
flat angles C4'-P-C4' energy: -29.285
flat angles P-C4'-P energy: -19.975
tors. eta vs tors. theta energy: -47.168
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: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -521.446507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.446507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.446507 (E_RNA)
where:
Base-Base interactions energy: -382.329
where: short stacking energy: -145.553
Base-Backbone interact. energy: -1.199
local terms energy: -137.918869
where:
bonds (distance) C4'-P energy: -22.892
bonds (distance) P-C4' energy: -25.318
flat angles C4'-P-C4' energy: -27.507
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -43.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -516.428770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.428770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.428770 (E_RNA)
where:
Base-Base interactions energy: -376.168
where: short stacking energy: -143.817
Base-Backbone interact. energy: -0.001
local terms energy: -140.259755
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -30.654
flat angles C4'-P-C4' energy: -26.690
flat angles P-C4'-P energy: -20.593
tors. eta vs tors. theta energy: -44.000
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: 8, replica: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -515.181848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.181848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.181848 (E_RNA)
where:
Base-Base interactions energy: -378.687
where: short stacking energy: -141.876
Base-Backbone interact. energy: -0.459
local terms energy: -136.035741
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -26.854
flat angles C4'-P-C4' energy: -29.838
flat angles P-C4'-P energy: -17.232
tors. eta vs tors. theta energy: -43.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -501.593799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.593799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.593799 (E_RNA)
where:
Base-Base interactions energy: -363.516
where: short stacking energy: -136.785
Base-Backbone interact. energy: -0.004
local terms energy: -138.073840
where:
bonds (distance) C4'-P energy: -21.426
bonds (distance) P-C4' energy: -26.281
flat angles C4'-P-C4' energy: -24.982
flat angles P-C4'-P energy: -19.133
tors. eta vs tors. theta energy: -46.251
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: 328
Temperature: 1.350000
Total energy: -303.473943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.473943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.473943 (E_RNA)
where:
Base-Base interactions energy: -203.111
where: short stacking energy: -94.271
Base-Backbone interact. energy: -1.646
local terms energy: -98.716387
where:
bonds (distance) C4'-P energy: -23.484
bonds (distance) P-C4' energy: -23.989
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -18.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -557.362914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.362914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.362914 (E_RNA)
where:
Base-Base interactions energy: -403.171
where: short stacking energy: -157.246
Base-Backbone interact. energy: -0.123
local terms energy: -154.069334
where:
bonds (distance) C4'-P energy: -28.942
bonds (distance) P-C4' energy: -27.261
flat angles C4'-P-C4' energy: -30.448
flat angles P-C4'-P energy: -21.353
tors. eta vs tors. theta energy: -46.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -556.881395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.881395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.881395 (E_RNA)
where:
Base-Base interactions energy: -398.003
where: short stacking energy: -159.957
Base-Backbone interact. energy: 0.323
local terms energy: -159.201299
where:
bonds (distance) C4'-P energy: -29.181
bonds (distance) P-C4' energy: -29.126
flat angles C4'-P-C4' energy: -30.755
flat angles P-C4'-P energy: -22.322
tors. eta vs tors. theta energy: -47.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -541.842950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.842950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.842950 (E_RNA)
where:
Base-Base interactions energy: -398.762
where: short stacking energy: -152.001
Base-Backbone interact. energy: -1.313
local terms energy: -141.768079
where:
bonds (distance) C4'-P energy: -27.777
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -27.565
flat angles P-C4'-P energy: -20.256
tors. eta vs tors. theta energy: -46.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -544.789767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.789767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.789767 (E_RNA)
where:
Base-Base interactions energy: -401.244
where: short stacking energy: -156.923
Base-Backbone interact. energy: -0.248
local terms energy: -143.298047
where:
bonds (distance) C4'-P energy: -25.049
bonds (distance) P-C4' energy: -23.413
flat angles C4'-P-C4' energy: -31.765
flat angles P-C4'-P energy: -18.166
tors. eta vs tors. theta energy: -44.906
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: 329
Temperature: 1.100000
Total energy: -534.926187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.926187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.926187 (E_RNA)
where:
Base-Base interactions energy: -393.299
where: short stacking energy: -150.917
Base-Backbone interact. energy: -1.123
local terms energy: -140.503935
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -29.596
flat angles P-C4'-P energy: -26.021
tors. eta vs tors. theta energy: -46.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -531.480590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.480590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.480590 (E_RNA)
where:
Base-Base interactions energy: -389.465
where: short stacking energy: -147.070
Base-Backbone interact. energy: -0.339
local terms energy: -141.676709
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -22.479
flat angles C4'-P-C4' energy: -28.638
flat angles P-C4'-P energy: -21.795
tors. eta vs tors. theta energy: -47.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -526.649480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.649480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.649480 (E_RNA)
where:
Base-Base interactions energy: -392.931
where: short stacking energy: -154.730
Base-Backbone interact. energy: -0.002
local terms energy: -133.716754
where:
bonds (distance) C4'-P energy: -25.186
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -28.855
flat angles P-C4'-P energy: -20.181
tors. eta vs tors. theta energy: -46.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -518.838802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.838802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.838802 (E_RNA)
where:
Base-Base interactions energy: -379.134
where: short stacking energy: -151.949
Base-Backbone interact. energy: -0.069
local terms energy: -139.636529
where:
bonds (distance) C4'-P energy: -19.364
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -32.100
flat angles P-C4'-P energy: -21.282
tors. eta vs tors. theta energy: -44.825
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: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -493.900839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.900839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.900839 (E_RNA)
where:
Base-Base interactions energy: -365.090
where: short stacking energy: -142.442
Base-Backbone interact. energy: 0.471
local terms energy: -129.282426
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -24.258
flat angles C4'-P-C4' energy: -27.430
flat angles P-C4'-P energy: -19.030
tors. eta vs tors. theta energy: -42.710
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: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -305.624546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.624546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.624546 (E_RNA)
where:
Base-Base interactions energy: -199.352
where: short stacking energy: -94.218
Base-Backbone interact. energy: -0.267
local terms energy: -106.005144
where:
bonds (distance) C4'-P energy: -20.695
bonds (distance) P-C4' energy: -25.554
flat angles C4'-P-C4' energy: -24.991
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -16.998
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: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -565.516669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.516669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.516669 (E_RNA)
where:
Base-Base interactions energy: -403.696
where: short stacking energy: -156.882
Base-Backbone interact. energy: -0.479
local terms energy: -161.341479
where:
bonds (distance) C4'-P energy: -32.870
bonds (distance) P-C4' energy: -26.538
flat angles C4'-P-C4' energy: -30.944
flat angles P-C4'-P energy: -25.014
tors. eta vs tors. theta energy: -45.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -552.280926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.280926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.280926 (E_RNA)
where:
Base-Base interactions energy: -398.239
where: short stacking energy: -157.784
Base-Backbone interact. energy: -0.002
local terms energy: -154.040678
where:
bonds (distance) C4'-P energy: -27.454
bonds (distance) P-C4' energy: -26.624
flat angles C4'-P-C4' energy: -31.853
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -45.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -537.914102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.914102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.914102 (E_RNA)
where:
Base-Base interactions energy: -389.938
where: short stacking energy: -149.706
Base-Backbone interact. energy: -0.641
local terms energy: -147.334724
where:
bonds (distance) C4'-P energy: -28.047
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -27.262
flat angles P-C4'-P energy: -23.286
tors. eta vs tors. theta energy: -46.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -540.418981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.418981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.418981 (E_RNA)
where:
Base-Base interactions energy: -392.532
where: short stacking energy: -154.282
Base-Backbone interact. energy: -0.260
local terms energy: -147.627577
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -23.990
flat angles C4'-P-C4' energy: -33.837
flat angles P-C4'-P energy: -21.507
tors. eta vs tors. theta energy: -47.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -539.506643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.506643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.506643 (E_RNA)
where:
Base-Base interactions energy: -393.571
where: short stacking energy: -155.266
Base-Backbone interact. energy: -1.472
local terms energy: -144.463775
where:
bonds (distance) C4'-P energy: -23.444
bonds (distance) P-C4' energy: -27.421
flat angles C4'-P-C4' energy: -27.665
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -44.926
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: 7
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -524.071830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.071830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.071830 (E_RNA)
where:
Base-Base interactions energy: -381.269
where: short stacking energy: -148.795
Base-Backbone interact. energy: -1.888
local terms energy: -140.914980
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -27.706
flat angles C4'-P-C4' energy: -26.925
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -47.602
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: 6
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -517.758463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.758463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.758463 (E_RNA)
where:
Base-Base interactions energy: -377.730
where: short stacking energy: -133.088
Base-Backbone interact. energy: -0.234
local terms energy: -139.794232
where:
bonds (distance) C4'-P energy: -28.108
bonds (distance) P-C4' energy: -25.190
flat angles C4'-P-C4' energy: -27.774
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: -41.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -512.204519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.204519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.204519 (E_RNA)
where:
Base-Base interactions energy: -371.101
where: short stacking energy: -141.669
Base-Backbone interact. energy: -1.653
local terms energy: -139.450852
where:
bonds (distance) C4'-P energy: -23.298
bonds (distance) P-C4' energy: -22.780
flat angles C4'-P-C4' energy: -29.158
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -44.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -487.620493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.620493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.620493 (E_RNA)
where:
Base-Base interactions energy: -348.959
where: short stacking energy: -141.984
Base-Backbone interact. energy: -0.163
local terms energy: -138.498844
where:
bonds (distance) C4'-P energy: -23.969
bonds (distance) P-C4' energy: -27.381
flat angles C4'-P-C4' energy: -29.189
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -42.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -298.294219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.294219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.294219 (E_RNA)
where:
Base-Base interactions energy: -190.722
where: short stacking energy: -82.559
Base-Backbone interact. energy: -2.805
local terms energy: -104.767751
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -28.987
flat angles C4'-P-C4' energy: -23.265
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -19.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -561.145184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.145184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.145184 (E_RNA)
where:
Base-Base interactions energy: -410.088
where: short stacking energy: -163.529
Base-Backbone interact. energy: -0.816
local terms energy: -150.240814
where:
bonds (distance) C4'-P energy: -27.658
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -32.350
flat angles P-C4'-P energy: -17.797
tors. eta vs tors. theta energy: -45.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -551.384316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.384316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.384316 (E_RNA)
where:
Base-Base interactions energy: -396.411
where: short stacking energy: -157.608
Base-Backbone interact. energy: -1.218
local terms energy: -153.755590
where:
bonds (distance) C4'-P energy: -27.570
bonds (distance) P-C4' energy: -28.523
flat angles C4'-P-C4' energy: -29.508
flat angles P-C4'-P energy: -20.380
tors. eta vs tors. theta energy: -47.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -545.706102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.706102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.706102 (E_RNA)
where:
Base-Base interactions energy: -398.568
where: short stacking energy: -159.061
Base-Backbone interact. energy: -0.403
local terms energy: -146.735003
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -23.523
flat angles C4'-P-C4' energy: -31.580
flat angles P-C4'-P energy: -20.998
tors. eta vs tors. theta energy: -47.108
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: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -544.922543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.922543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.922543 (E_RNA)
where:
Base-Base interactions energy: -394.196
where: short stacking energy: -153.106
Base-Backbone interact. energy: -0.968
local terms energy: -149.758573
where:
bonds (distance) C4'-P energy: -26.399
bonds (distance) P-C4' energy: -22.562
flat angles C4'-P-C4' energy: -31.018
flat angles P-C4'-P energy: -24.221
tors. eta vs tors. theta energy: -45.559
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: 331
Temperature: 1.100000
Total energy: -533.735201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.735201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.735201 (E_RNA)
where:
Base-Base interactions energy: -381.600
where: short stacking energy: -145.409
Base-Backbone interact. energy: -0.319
local terms energy: -151.815605
where:
bonds (distance) C4'-P energy: -28.709
bonds (distance) P-C4' energy: -27.134
flat angles C4'-P-C4' energy: -30.596
flat angles P-C4'-P energy: -19.809
tors. eta vs tors. theta energy: -45.568
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: 6, replica: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -531.172073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.172073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.172073 (E_RNA)
where:
Base-Base interactions energy: -387.928
where: short stacking energy: -148.373
Base-Backbone interact. energy: -1.121
local terms energy: -142.123524
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -26.674
flat angles C4'-P-C4' energy: -33.855
flat angles P-C4'-P energy: -16.920
tors. eta vs tors. theta energy: -46.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -512.107994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.107994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.107994 (E_RNA)
where:
Base-Base interactions energy: -375.913
where: short stacking energy: -149.058
Base-Backbone interact. energy: -0.001
local terms energy: -136.193715
where:
bonds (distance) C4'-P energy: -20.641
bonds (distance) P-C4' energy: -21.159
flat angles C4'-P-C4' energy: -29.470
flat angles P-C4'-P energy: -19.740
tors. eta vs tors. theta energy: -45.184
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: 8, replica: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -512.253425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.253425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.253425 (E_RNA)
where:
Base-Base interactions energy: -378.545
where: short stacking energy: -148.594
Base-Backbone interact. energy: -0.009
local terms energy: -133.699103
where:
bonds (distance) C4'-P energy: -22.243
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -24.415
flat angles P-C4'-P energy: -22.415
tors. eta vs tors. theta energy: -42.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -499.523250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.523250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.523250 (E_RNA)
where:
Base-Base interactions energy: -369.502
where: short stacking energy: -143.339
Base-Backbone interact. energy: -0.194
local terms energy: -129.826379
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -28.467
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -41.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -307.048831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.048831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.048831 (E_RNA)
where:
Base-Base interactions energy: -201.731
where: short stacking energy: -82.060
Base-Backbone interact. energy: 0.275
local terms energy: -105.592697
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -28.035
flat angles P-C4'-P energy: -19.093
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -573.390033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.390033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.390033 (E_RNA)
where:
Base-Base interactions energy: -412.617
where: short stacking energy: -162.328
Base-Backbone interact. energy: -0.794
local terms energy: -159.979654
where:
bonds (distance) C4'-P energy: -32.014
bonds (distance) P-C4' energy: -26.366
flat angles C4'-P-C4' energy: -32.610
flat angles P-C4'-P energy: -23.114
tors. eta vs tors. theta energy: -45.875
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: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -547.959396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.959396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.959396 (E_RNA)
where:
Base-Base interactions energy: -397.218
where: short stacking energy: -153.094
Base-Backbone interact. energy: -0.849
local terms energy: -149.892439
where:
bonds (distance) C4'-P energy: -26.311
bonds (distance) P-C4' energy: -27.631
flat angles C4'-P-C4' energy: -27.772
flat angles P-C4'-P energy: -18.855
tors. eta vs tors. theta energy: -49.323
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: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -552.761782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.761782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.761782 (E_RNA)
where:
Base-Base interactions energy: -398.436
where: short stacking energy: -157.577
Base-Backbone interact. energy: -1.334
local terms energy: -152.991311
where:
bonds (distance) C4'-P energy: -29.454
bonds (distance) P-C4' energy: -24.039
flat angles C4'-P-C4' energy: -31.176
flat angles P-C4'-P energy: -21.461
tors. eta vs tors. theta energy: -46.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -546.338152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.338152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.338152 (E_RNA)
where:
Base-Base interactions energy: -393.984
where: short stacking energy: -153.360
Base-Backbone interact. energy: -0.400
local terms energy: -151.954827
where:
bonds (distance) C4'-P energy: -27.990
bonds (distance) P-C4' energy: -24.770
flat angles C4'-P-C4' energy: -33.292
flat angles P-C4'-P energy: -20.413
tors. eta vs tors. theta energy: -45.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -543.995279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.995279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.995279 (E_RNA)
where:
Base-Base interactions energy: -389.399
where: short stacking energy: -150.707
Base-Backbone interact. energy: -0.006
local terms energy: -154.589647
where:
bonds (distance) C4'-P energy: -24.176
bonds (distance) P-C4' energy: -31.321
flat angles C4'-P-C4' energy: -27.916
flat angles P-C4'-P energy: -26.041
tors. eta vs tors. theta energy: -45.136
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: 6, replica: 10
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -532.526796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.526796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.526796 (E_RNA)
where:
Base-Base interactions energy: -386.535
where: short stacking energy: -146.607
Base-Backbone interact. energy: -1.084
local terms energy: -144.908277
where:
bonds (distance) C4'-P energy: -26.701
bonds (distance) P-C4' energy: -21.410
flat angles C4'-P-C4' energy: -28.760
flat angles P-C4'-P energy: -21.728
tors. eta vs tors. theta energy: -46.309
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: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -526.187689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.187689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.187689 (E_RNA)
where:
Base-Base interactions energy: -388.433
where: short stacking energy: -152.090
Base-Backbone interact. energy: -0.730
local terms energy: -137.024841
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -22.770
flat angles C4'-P-C4' energy: -27.884
flat angles P-C4'-P energy: -22.388
tors. eta vs tors. theta energy: -47.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -523.181221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.181221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.181221 (E_RNA)
where:
Base-Base interactions energy: -383.051
where: short stacking energy: -152.970
Base-Backbone interact. energy: -0.013
local terms energy: -140.117540
where:
bonds (distance) C4'-P energy: -19.500
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -27.880
flat angles P-C4'-P energy: -22.230
tors. eta vs tors. theta energy: -46.828
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: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -497.341885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.341885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.341885 (E_RNA)
where:
Base-Base interactions energy: -365.558
where: short stacking energy: -140.273
Base-Backbone interact. energy: -0.545
local terms energy: -131.238875
where:
bonds (distance) C4'-P energy: -23.358
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -25.436
flat angles P-C4'-P energy: -19.534
tors. eta vs tors. theta energy: -41.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -320.359824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.359824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.359824 (E_RNA)
where:
Base-Base interactions energy: -233.665
where: short stacking energy: -97.251
Base-Backbone interact. energy: -0.051
local terms energy: -86.643355
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -20.192
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -19.428
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: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -560.431001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.431001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.431001 (E_RNA)
where:
Base-Base interactions energy: -406.047
where: short stacking energy: -160.371
Base-Backbone interact. energy: -0.205
local terms energy: -154.179483
where:
bonds (distance) C4'-P energy: -27.963
bonds (distance) P-C4' energy: -23.749
flat angles C4'-P-C4' energy: -31.027
flat angles P-C4'-P energy: -26.189
tors. eta vs tors. theta energy: -45.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -555.076683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.076683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.076683 (E_RNA)
where:
Base-Base interactions energy: -391.297
where: short stacking energy: -151.101
Base-Backbone interact. energy: -0.947
local terms energy: -162.832440
where:
bonds (distance) C4'-P energy: -29.522
bonds (distance) P-C4' energy: -32.388
flat angles C4'-P-C4' energy: -31.756
flat angles P-C4'-P energy: -22.520
tors. eta vs tors. theta energy: -46.646
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: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -537.825922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.825922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.825922 (E_RNA)
where:
Base-Base interactions energy: -399.922
where: short stacking energy: -146.844
Base-Backbone interact. energy: -0.289
local terms energy: -137.614312
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -25.654
flat angles C4'-P-C4' energy: -29.718
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -44.083
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: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -542.170967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.170967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.170967 (E_RNA)
where:
Base-Base interactions energy: -393.538
where: short stacking energy: -150.667
Base-Backbone interact. energy: -0.855
local terms energy: -147.778099
where:
bonds (distance) C4'-P energy: -24.143
bonds (distance) P-C4' energy: -26.426
flat angles C4'-P-C4' energy: -32.114
flat angles P-C4'-P energy: -18.703
tors. eta vs tors. theta energy: -46.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -530.489522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.489522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.489522 (E_RNA)
where:
Base-Base interactions energy: -397.091
where: short stacking energy: -155.681
Base-Backbone interact. energy: -0.292
local terms energy: -133.105867
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -29.057
flat angles P-C4'-P energy: -20.313
tors. eta vs tors. theta energy: -42.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -520.866694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.866694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.866694 (E_RNA)
where:
Base-Base interactions energy: -367.219
where: short stacking energy: -140.208
Base-Backbone interact. energy: 0.028
local terms energy: -153.675045
where:
bonds (distance) C4'-P energy: -25.394
bonds (distance) P-C4' energy: -26.806
flat angles C4'-P-C4' energy: -32.595
flat angles P-C4'-P energy: -24.879
tors. eta vs tors. theta energy: -44.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -516.181009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.181009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.181009 (E_RNA)
where:
Base-Base interactions energy: -372.384
where: short stacking energy: -139.328
Base-Backbone interact. energy: -0.777
local terms energy: -143.019783
where:
bonds (distance) C4'-P energy: -24.929
bonds (distance) P-C4' energy: -28.554
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -22.037
tors. eta vs tors. theta energy: -44.365
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: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -521.823309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.823309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.823309 (E_RNA)
where:
Base-Base interactions energy: -397.141
where: short stacking energy: -156.234
Base-Backbone interact. energy: -0.421
local terms energy: -124.260782
where:
bonds (distance) C4'-P energy: -26.393
bonds (distance) P-C4' energy: -6.131
flat angles C4'-P-C4' energy: -28.443
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: -45.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -493.834238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.834238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.834238 (E_RNA)
where:
Base-Base interactions energy: -373.705
where: short stacking energy: -141.756
Base-Backbone interact. energy: -0.720
local terms energy: -119.409247
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -23.167
flat angles P-C4'-P energy: -17.444
tors. eta vs tors. theta energy: -41.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -301.801727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.801727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.801727 (E_RNA)
where:
Base-Base interactions energy: -194.786
where: short stacking energy: -87.258
Base-Backbone interact. energy: -1.188
local terms energy: -105.827198
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -22.035
tors. eta vs tors. theta energy: -17.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -568.457794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.457794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.457794 (E_RNA)
where:
Base-Base interactions energy: -414.115
where: short stacking energy: -159.155
Base-Backbone interact. energy: -1.181
local terms energy: -153.162238
where:
bonds (distance) C4'-P energy: -24.295
bonds (distance) P-C4' energy: -31.409
flat angles C4'-P-C4' energy: -30.265
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: -45.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -557.590216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.590216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.590216 (E_RNA)
where:
Base-Base interactions energy: -404.822
where: short stacking energy: -160.792
Base-Backbone interact. energy: -0.322
local terms energy: -152.446692
where:
bonds (distance) C4'-P energy: -24.303
bonds (distance) P-C4' energy: -24.608
flat angles C4'-P-C4' energy: -32.383
flat angles P-C4'-P energy: -22.968
tors. eta vs tors. theta energy: -48.185
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: 334
Temperature: 1.000000
Total energy: -553.216386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.216386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.216386 (E_RNA)
where:
Base-Base interactions energy: -396.013
where: short stacking energy: -153.698
Base-Backbone interact. energy: -1.076
local terms energy: -156.127898
where:
bonds (distance) C4'-P energy: -29.893
bonds (distance) P-C4' energy: -27.399
flat angles C4'-P-C4' energy: -29.701
flat angles P-C4'-P energy: -25.747
tors. eta vs tors. theta energy: -43.388
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: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -537.887826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.887826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.887826 (E_RNA)
where:
Base-Base interactions energy: -395.085
where: short stacking energy: -151.705
Base-Backbone interact. energy: -1.389
local terms energy: -141.413078
where:
bonds (distance) C4'-P energy: -25.783
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -25.823
flat angles P-C4'-P energy: -23.908
tors. eta vs tors. theta energy: -46.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -534.661816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.661816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.661816 (E_RNA)
where:
Base-Base interactions energy: -390.451
where: short stacking energy: -152.100
Base-Backbone interact. energy: -0.733
local terms energy: -143.478091
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -32.235
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -46.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -536.864034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.864034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.864034 (E_RNA)
where:
Base-Base interactions energy: -383.007
where: short stacking energy: -152.076
Base-Backbone interact. energy: -1.577
local terms energy: -152.280200
where:
bonds (distance) C4'-P energy: -25.240
bonds (distance) P-C4' energy: -25.988
flat angles C4'-P-C4' energy: -29.311
flat angles P-C4'-P energy: -24.703
tors. eta vs tors. theta energy: -47.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -514.969861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.969861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.969861 (E_RNA)
where:
Base-Base interactions energy: -378.402
where: short stacking energy: -150.385
Base-Backbone interact. energy: -0.259
local terms energy: -136.309070
where:
bonds (distance) C4'-P energy: -27.874
bonds (distance) P-C4' energy: -19.233
flat angles C4'-P-C4' energy: -29.010
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -44.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -512.037513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.037513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.037513 (E_RNA)
where:
Base-Base interactions energy: -378.084
where: short stacking energy: -146.139
Base-Backbone interact. energy: -0.103
local terms energy: -133.850121
where:
bonds (distance) C4'-P energy: -21.478
bonds (distance) P-C4' energy: -22.208
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -19.194
tors. eta vs tors. theta energy: -45.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -493.914324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.914324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.914324 (E_RNA)
where:
Base-Base interactions energy: -360.870
where: short stacking energy: -138.797
Base-Backbone interact. energy: 0.412
local terms energy: -133.456659
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -24.739
flat angles C4'-P-C4' energy: -29.920
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: -42.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -289.604405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.604405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.604405 (E_RNA)
where:
Base-Base interactions energy: -185.432
where: short stacking energy: -85.877
Base-Backbone interact. energy: 0.809
local terms energy: -104.981237
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -27.373
flat angles C4'-P-C4' energy: -27.458
flat angles P-C4'-P energy: -17.900
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -574.423389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.423389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.423389 (E_RNA)
where:
Base-Base interactions energy: -408.990
where: short stacking energy: -157.008
Base-Backbone interact. energy: -1.618
local terms energy: -163.816000
where:
bonds (distance) C4'-P energy: -28.233
bonds (distance) P-C4' energy: -29.986
flat angles C4'-P-C4' energy: -30.840
flat angles P-C4'-P energy: -27.320
tors. eta vs tors. theta energy: -47.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -551.423916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.423916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.423916 (E_RNA)
where:
Base-Base interactions energy: -393.465
where: short stacking energy: -153.565
Base-Backbone interact. energy: -0.695
local terms energy: -157.263779
where:
bonds (distance) C4'-P energy: -30.087
bonds (distance) P-C4' energy: -27.341
flat angles C4'-P-C4' energy: -32.531
flat angles P-C4'-P energy: -20.726
tors. eta vs tors. theta energy: -46.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -554.375629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.375629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.375629 (E_RNA)
where:
Base-Base interactions energy: -401.807
where: short stacking energy: -156.242
Base-Backbone interact. energy: -1.030
local terms energy: -151.538894
where:
bonds (distance) C4'-P energy: -27.448
bonds (distance) P-C4' energy: -26.876
flat angles C4'-P-C4' energy: -29.941
flat angles P-C4'-P energy: -20.240
tors. eta vs tors. theta energy: -47.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -546.897659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.897659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.897659 (E_RNA)
where:
Base-Base interactions energy: -399.008
where: short stacking energy: -156.694
Base-Backbone interact. energy: 0.394
local terms energy: -148.283643
where:
bonds (distance) C4'-P energy: -25.255
bonds (distance) P-C4' energy: -29.968
flat angles C4'-P-C4' energy: -27.257
flat angles P-C4'-P energy: -21.766
tors. eta vs tors. theta energy: -44.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -542.692816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.692816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.692816 (E_RNA)
where:
Base-Base interactions energy: -392.159
where: short stacking energy: -150.277
Base-Backbone interact. energy: -0.579
local terms energy: -149.955246
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -26.823
flat angles C4'-P-C4' energy: -31.986
flat angles P-C4'-P energy: -21.420
tors. eta vs tors. theta energy: -46.318
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: 335
Temperature: 1.150000
Total energy: -533.548090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.548090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.548090 (E_RNA)
where:
Base-Base interactions energy: -385.649
where: short stacking energy: -149.339
Base-Backbone interact. energy: -1.399
local terms energy: -146.499517
where:
bonds (distance) C4'-P energy: -26.097
bonds (distance) P-C4' energy: -20.689
flat angles C4'-P-C4' energy: -29.314
flat angles P-C4'-P energy: -23.623
tors. eta vs tors. theta energy: -46.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -520.003055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.003055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.003055 (E_RNA)
where:
Base-Base interactions energy: -379.855
where: short stacking energy: -147.548
Base-Backbone interact. energy: -0.100
local terms energy: -140.047741
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -29.544
flat angles P-C4'-P energy: -23.243
tors. eta vs tors. theta energy: -41.947
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: 8, replica: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -524.864218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.864218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.864218 (E_RNA)
where:
Base-Base interactions energy: -389.320
where: short stacking energy: -151.077
Base-Backbone interact. energy: -0.124
local terms energy: -135.420270
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -25.660
flat angles C4'-P-C4' energy: -28.791
flat angles P-C4'-P energy: -20.263
tors. eta vs tors. theta energy: -46.368
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: 335
Temperature: 1.300000
Total energy: -503.390112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.390112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.390112 (E_RNA)
where:
Base-Base interactions energy: -360.119
where: short stacking energy: -141.315
Base-Backbone interact. energy: -0.016
local terms energy: -143.254610
where:
bonds (distance) C4'-P energy: -27.425
bonds (distance) P-C4' energy: -27.118
flat angles C4'-P-C4' energy: -28.316
flat angles P-C4'-P energy: -19.286
tors. eta vs tors. theta energy: -41.109
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: 10, replica: 2
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -297.472977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.472977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.472977 (E_RNA)
where:
Base-Base interactions energy: -190.138
where: short stacking energy: -88.753
Base-Backbone interact. energy: 2.355
local terms energy: -109.689544
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -26.402
flat angles C4'-P-C4' energy: -28.760
flat angles P-C4'-P energy: -17.978
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -554.729564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.729564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.729564 (E_RNA)
where:
Base-Base interactions energy: -404.853
where: short stacking energy: -157.331
Base-Backbone interact. energy: -0.493
local terms energy: -149.383929
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -26.267
flat angles C4'-P-C4' energy: -30.694
flat angles P-C4'-P energy: -24.474
tors. eta vs tors. theta energy: -45.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -562.519530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.519530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.519530 (E_RNA)
where:
Base-Base interactions energy: -398.744
where: short stacking energy: -160.331
Base-Backbone interact. energy: -0.461
local terms energy: -163.315027
where:
bonds (distance) C4'-P energy: -30.463
bonds (distance) P-C4' energy: -27.469
flat angles C4'-P-C4' energy: -31.587
flat angles P-C4'-P energy: -24.969
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: 3, replica: 6
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -554.822670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.822670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.822670 (E_RNA)
where:
Base-Base interactions energy: -397.336
where: short stacking energy: -161.090
Base-Backbone interact. energy: -0.045
local terms energy: -157.441511
where:
bonds (distance) C4'-P energy: -31.168
bonds (distance) P-C4' energy: -25.727
flat angles C4'-P-C4' energy: -34.766
flat angles P-C4'-P energy: -19.006
tors. eta vs tors. theta energy: -46.775
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: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -541.181426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.181426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.181426 (E_RNA)
where:
Base-Base interactions energy: -389.364
where: short stacking energy: -149.347
Base-Backbone interact. energy: -1.139
local terms energy: -150.678087
where:
bonds (distance) C4'-P energy: -26.113
bonds (distance) P-C4' energy: -25.753
flat angles C4'-P-C4' energy: -28.785
flat angles P-C4'-P energy: -24.144
tors. eta vs tors. theta energy: -45.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -538.665638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.665638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.665638 (E_RNA)
where:
Base-Base interactions energy: -389.896
where: short stacking energy: -151.351
Base-Backbone interact. energy: -1.946
local terms energy: -146.823748
where:
bonds (distance) C4'-P energy: -25.785
bonds (distance) P-C4' energy: -30.916
flat angles C4'-P-C4' energy: -24.835
flat angles P-C4'-P energy: -18.215
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: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -539.047492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.047492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.047492 (E_RNA)
where:
Base-Base interactions energy: -393.360
where: short stacking energy: -153.848
Base-Backbone interact. energy: -0.008
local terms energy: -145.679694
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -31.936
flat angles P-C4'-P energy: -20.952
tors. eta vs tors. theta energy: -45.992
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: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -516.443778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.443778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.443778 (E_RNA)
where:
Base-Base interactions energy: -370.936
where: short stacking energy: -147.973
Base-Backbone interact. energy: -0.070
local terms energy: -145.438312
where:
bonds (distance) C4'-P energy: -27.612
bonds (distance) P-C4' energy: -26.895
flat angles C4'-P-C4' energy: -28.592
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -46.103
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: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -506.436939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.436939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.436939 (E_RNA)
where:
Base-Base interactions energy: -372.705
where: short stacking energy: -139.586
Base-Backbone interact. energy: -0.808
local terms energy: -132.923416
where:
bonds (distance) C4'-P energy: -23.286
bonds (distance) P-C4' energy: -21.556
flat angles C4'-P-C4' energy: -30.569
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -41.505
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: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -521.864006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.864006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.864006 (E_RNA)
where:
Base-Base interactions energy: -378.669
where: short stacking energy: -148.483
Base-Backbone interact. energy: -1.994
local terms energy: -141.201040
where:
bonds (distance) C4'-P energy: -26.336
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -29.325
flat angles P-C4'-P energy: -22.659
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: 10, replica: 2
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -300.629188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.629188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.629188 (E_RNA)
where:
Base-Base interactions energy: -208.831
where: short stacking energy: -85.790
Base-Backbone interact. energy: 2.090
local terms energy: -93.887977
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -23.910
flat angles P-C4'-P energy: -18.126
tors. eta vs tors. theta energy: -14.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -563.074909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.074909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.074909 (E_RNA)
where:
Base-Base interactions energy: -406.185
where: short stacking energy: -163.916
Base-Backbone interact. energy: -0.001
local terms energy: -156.889851
where:
bonds (distance) C4'-P energy: -27.669
bonds (distance) P-C4' energy: -26.534
flat angles C4'-P-C4' energy: -31.909
flat angles P-C4'-P energy: -25.721
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: 2, replica: 6
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -549.466776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.466776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.466776 (E_RNA)
where:
Base-Base interactions energy: -396.837
where: short stacking energy: -156.103
Base-Backbone interact. energy: -0.001
local terms energy: -152.629299
where:
bonds (distance) C4'-P energy: -25.509
bonds (distance) P-C4' energy: -25.331
flat angles C4'-P-C4' energy: -31.086
flat angles P-C4'-P energy: -24.134
tors. eta vs tors. theta energy: -46.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -542.053166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.053166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.053166 (E_RNA)
where:
Base-Base interactions energy: -389.118
where: short stacking energy: -153.874
Base-Backbone interact. energy: -0.488
local terms energy: -152.447724
where:
bonds (distance) C4'-P energy: -28.196
bonds (distance) P-C4' energy: -25.485
flat angles C4'-P-C4' energy: -32.987
flat angles P-C4'-P energy: -25.015
tors. eta vs tors. theta energy: -40.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -535.364429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.364429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.364429 (E_RNA)
where:
Base-Base interactions energy: -389.776
where: short stacking energy: -158.773
Base-Backbone interact. energy: -0.015
local terms energy: -145.573229
where:
bonds (distance) C4'-P energy: -26.781
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -29.496
flat angles P-C4'-P energy: -19.064
tors. eta vs tors. theta energy: -48.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -543.315852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.315852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.315852 (E_RNA)
where:
Base-Base interactions energy: -393.163
where: short stacking energy: -153.846
Base-Backbone interact. energy: -0.180
local terms energy: -149.972537
where:
bonds (distance) C4'-P energy: -20.927
bonds (distance) P-C4' energy: -26.749
flat angles C4'-P-C4' energy: -31.284
flat angles P-C4'-P energy: -23.417
tors. eta vs tors. theta energy: -47.596
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: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -533.046554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.046554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.046554 (E_RNA)
where:
Base-Base interactions energy: -387.620
where: short stacking energy: -153.314
Base-Backbone interact. energy: 1.626
local terms energy: -147.053309
where:
bonds (distance) C4'-P energy: -26.019
bonds (distance) P-C4' energy: -24.368
flat angles C4'-P-C4' energy: -24.904
flat angles P-C4'-P energy: -24.917
tors. eta vs tors. theta energy: -46.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -512.909111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.909111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.909111 (E_RNA)
where:
Base-Base interactions energy: -381.995
where: short stacking energy: -150.159
Base-Backbone interact. energy: -1.682
local terms energy: -129.232814
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -25.853
flat angles P-C4'-P energy: -20.818
tors. eta vs tors. theta energy: -46.526
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: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -518.311185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.311185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.311185 (E_RNA)
where:
Base-Base interactions energy: -377.949
where: short stacking energy: -150.250
Base-Backbone interact. energy: -0.036
local terms energy: -140.326033
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -25.366
flat angles C4'-P-C4' energy: -30.726
flat angles P-C4'-P energy: -18.834
tors. eta vs tors. theta energy: -45.037
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: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -508.561073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.561073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.561073 (E_RNA)
where:
Base-Base interactions energy: -377.152
where: short stacking energy: -143.649
Base-Backbone interact. energy: -0.048
local terms energy: -131.360526
where:
bonds (distance) C4'-P energy: -25.599
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -29.532
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -45.143
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: 2
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -295.387172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.387172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.387172 (E_RNA)
where:
Base-Base interactions energy: -194.206
where: short stacking energy: -83.086
Base-Backbone interact. energy: 4.430
local terms energy: -105.611580
where:
bonds (distance) C4'-P energy: -22.482
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -28.281
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -18.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -550.683345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.683345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.683345 (E_RNA)
where:
Base-Base interactions energy: -400.653
where: short stacking energy: -158.488
Base-Backbone interact. energy: 0.298
local terms energy: -150.328214
where:
bonds (distance) C4'-P energy: -28.506
bonds (distance) P-C4' energy: -26.058
flat angles C4'-P-C4' energy: -30.295
flat angles P-C4'-P energy: -23.067
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: 2, replica: 6
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -553.781352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.781352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.781352 (E_RNA)
where:
Base-Base interactions energy: -400.651
where: short stacking energy: -157.626
Base-Backbone interact. energy: -0.001
local terms energy: -153.129118
where:
bonds (distance) C4'-P energy: -28.298
bonds (distance) P-C4' energy: -27.821
flat angles C4'-P-C4' energy: -27.304
flat angles P-C4'-P energy: -22.446
tors. eta vs tors. theta energy: -47.260
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: 3, replica: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -552.352515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.352515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.352515 (E_RNA)
where:
Base-Base interactions energy: -400.285
where: short stacking energy: -155.929
Base-Backbone interact. energy: -0.864
local terms energy: -151.203202
where:
bonds (distance) C4'-P energy: -25.037
bonds (distance) P-C4' energy: -28.293
flat angles C4'-P-C4' energy: -29.206
flat angles P-C4'-P energy: -23.198
tors. eta vs tors. theta energy: -45.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -547.873008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.873008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.873008 (E_RNA)
where:
Base-Base interactions energy: -394.058
where: short stacking energy: -157.152
Base-Backbone interact. energy: -0.597
local terms energy: -153.218682
where:
bonds (distance) C4'-P energy: -24.776
bonds (distance) P-C4' energy: -30.855
flat angles C4'-P-C4' energy: -29.264
flat angles P-C4'-P energy: -21.788
tors. eta vs tors. theta energy: -46.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -529.233534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.233534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.233534 (E_RNA)
where:
Base-Base interactions energy: -393.731
where: short stacking energy: -148.476
Base-Backbone interact. energy: -0.280
local terms energy: -135.221996
where:
bonds (distance) C4'-P energy: -21.624
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -27.269
flat angles P-C4'-P energy: -23.614
tors. eta vs tors. theta energy: -43.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -534.618536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.618536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.618536 (E_RNA)
where:
Base-Base interactions energy: -383.502
where: short stacking energy: -146.697
Base-Backbone interact. energy: -0.668
local terms energy: -150.448688
where:
bonds (distance) C4'-P energy: -23.228
bonds (distance) P-C4' energy: -27.910
flat angles C4'-P-C4' energy: -26.763
flat angles P-C4'-P energy: -24.254
tors. eta vs tors. theta energy: -48.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -517.649411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.649411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.649411 (E_RNA)
where:
Base-Base interactions energy: -384.826
where: short stacking energy: -148.025
Base-Backbone interact. energy: -0.284
local terms energy: -132.539559
where:
bonds (distance) C4'-P energy: -25.394
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -26.724
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -45.420
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: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -513.209857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.209857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.209857 (E_RNA)
where:
Base-Base interactions energy: -363.888
where: short stacking energy: -141.310
Base-Backbone interact. energy: -0.526
local terms energy: -148.796607
where:
bonds (distance) C4'-P energy: -24.118
bonds (distance) P-C4' energy: -29.307
flat angles C4'-P-C4' energy: -28.631
flat angles P-C4'-P energy: -23.237
tors. eta vs tors. theta energy: -43.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -494.523736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.523736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.523736 (E_RNA)
where:
Base-Base interactions energy: -360.933
where: short stacking energy: -132.659
Base-Backbone interact. energy: -0.269
local terms energy: -133.321730
where:
bonds (distance) C4'-P energy: -23.130
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -29.796
flat angles P-C4'-P energy: -17.890
tors. eta vs tors. theta energy: -42.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -316.278796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.278796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.278796 (E_RNA)
where:
Base-Base interactions energy: -206.873
where: short stacking energy: -93.433
Base-Backbone interact. energy: 0.462
local terms energy: -109.867639
where:
bonds (distance) C4'-P energy: -22.159
bonds (distance) P-C4' energy: -23.583
flat angles C4'-P-C4' energy: -23.684
flat angles P-C4'-P energy: -21.565
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -567.587978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.587978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.587978 (E_RNA)
where:
Base-Base interactions energy: -416.645
where: short stacking energy: -165.209
Base-Backbone interact. energy: -0.003
local terms energy: -150.939955
where:
bonds (distance) C4'-P energy: -30.108
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -28.635
flat angles P-C4'-P energy: -23.609
tors. eta vs tors. theta energy: -44.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -558.377210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.377210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.377210 (E_RNA)
where:
Base-Base interactions energy: -402.430
where: short stacking energy: -155.011
Base-Backbone interact. energy: -0.290
local terms energy: -155.656678
where:
bonds (distance) C4'-P energy: -28.729
bonds (distance) P-C4' energy: -27.962
flat angles C4'-P-C4' energy: -31.325
flat angles P-C4'-P energy: -19.616
tors. eta vs tors. theta energy: -48.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -546.920979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.920979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.920979 (E_RNA)
where:
Base-Base interactions energy: -393.995
where: short stacking energy: -152.421
Base-Backbone interact. energy: -0.415
local terms energy: -152.511566
where:
bonds (distance) C4'-P energy: -25.187
bonds (distance) P-C4' energy: -27.278
flat angles C4'-P-C4' energy: -28.907
flat angles P-C4'-P energy: -23.011
tors. eta vs tors. theta energy: -48.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -546.265597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.265597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.265597 (E_RNA)
where:
Base-Base interactions energy: -393.817
where: short stacking energy: -152.006
Base-Backbone interact. energy: -2.470
local terms energy: -149.978786
where:
bonds (distance) C4'-P energy: -25.674
bonds (distance) P-C4' energy: -27.536
flat angles C4'-P-C4' energy: -30.253
flat angles P-C4'-P energy: -22.301
tors. eta vs tors. theta energy: -44.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -536.121712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.121712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.121712 (E_RNA)
where:
Base-Base interactions energy: -383.706
where: short stacking energy: -151.087
Base-Backbone interact. energy: -0.602
local terms energy: -151.814085
where:
bonds (distance) C4'-P energy: -27.472
bonds (distance) P-C4' energy: -27.329
flat angles C4'-P-C4' energy: -32.069
flat angles P-C4'-P energy: -23.167
tors. eta vs tors. theta energy: -41.776
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: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -526.959301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.959301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.959301 (E_RNA)
where:
Base-Base interactions energy: -380.643
where: short stacking energy: -145.161
Base-Backbone interact. energy: -1.042
local terms energy: -145.274369
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -28.247
flat angles C4'-P-C4' energy: -30.929
flat angles P-C4'-P energy: -22.885
tors. eta vs tors. theta energy: -44.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -520.502606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.502606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.502606 (E_RNA)
where:
Base-Base interactions energy: -375.913
where: short stacking energy: -148.112
Base-Backbone interact. energy: -0.041
local terms energy: -144.548152
where:
bonds (distance) C4'-P energy: -21.991
bonds (distance) P-C4' energy: -26.376
flat angles C4'-P-C4' energy: -31.403
flat angles P-C4'-P energy: -19.499
tors. eta vs tors. theta energy: -45.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -519.642890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.642890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.642890 (E_RNA)
where:
Base-Base interactions energy: -373.104
where: short stacking energy: -140.506
Base-Backbone interact. energy: -1.022
local terms energy: -145.516580
where:
bonds (distance) C4'-P energy: -20.577
bonds (distance) P-C4' energy: -27.450
flat angles C4'-P-C4' energy: -30.815
flat angles P-C4'-P energy: -20.462
tors. eta vs tors. theta energy: -46.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -507.164095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.164095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.164095 (E_RNA)
where:
Base-Base interactions energy: -364.457
where: short stacking energy: -137.722
Base-Backbone interact. energy: -0.001
local terms energy: -142.705786
where:
bonds (distance) C4'-P energy: -24.809
bonds (distance) P-C4' energy: -22.463
flat angles C4'-P-C4' energy: -27.604
flat angles P-C4'-P energy: -23.460
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: 10, replica: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -298.435206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.435206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.435206 (E_RNA)
where:
Base-Base interactions energy: -195.039
where: short stacking energy: -82.693
Base-Backbone interact. energy: -0.616
local terms energy: -102.780373
where:
bonds (distance) C4'-P energy: -26.712
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -28.789
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -21.575
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: 1, replica: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -555.388704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.388704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.388704 (E_RNA)
where:
Base-Base interactions energy: -391.844
where: short stacking energy: -152.548
Base-Backbone interact. energy: -0.713
local terms energy: -162.831716
where:
bonds (distance) C4'-P energy: -31.168
bonds (distance) P-C4' energy: -30.162
flat angles C4'-P-C4' energy: -31.903
flat angles P-C4'-P energy: -25.141
tors. eta vs tors. theta energy: -44.458
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: 6
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -556.410353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.410353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.410353 (E_RNA)
where:
Base-Base interactions energy: -403.845
where: short stacking energy: -157.334
Base-Backbone interact. energy: -0.000
local terms energy: -152.564967
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -26.340
flat angles C4'-P-C4' energy: -32.088
flat angles P-C4'-P energy: -22.476
tors. eta vs tors. theta energy: -46.904
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: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -550.190821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.190821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.190821 (E_RNA)
where:
Base-Base interactions energy: -397.283
where: short stacking energy: -151.467
Base-Backbone interact. energy: -0.444
local terms energy: -152.464163
where:
bonds (distance) C4'-P energy: -29.452
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -28.298
flat angles P-C4'-P energy: -19.370
tors. eta vs tors. theta energy: -48.501
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: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -542.524899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.524899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.524899 (E_RNA)
where:
Base-Base interactions energy: -390.997
where: short stacking energy: -153.327
Base-Backbone interact. energy: -0.641
local terms energy: -150.887065
where:
bonds (distance) C4'-P energy: -24.337
bonds (distance) P-C4' energy: -26.717
flat angles C4'-P-C4' energy: -30.438
flat angles P-C4'-P energy: -21.217
tors. eta vs tors. theta energy: -48.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -532.819522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.819522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.819522 (E_RNA)
where:
Base-Base interactions energy: -385.548
where: short stacking energy: -149.289
Base-Backbone interact. energy: -0.061
local terms energy: -147.210148
where:
bonds (distance) C4'-P energy: -26.750
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -28.090
flat angles P-C4'-P energy: -24.525
tors. eta vs tors. theta energy: -44.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -530.248805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.248805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.248805 (E_RNA)
where:
Base-Base interactions energy: -390.759
where: short stacking energy: -153.307
Base-Backbone interact. energy: -0.037
local terms energy: -139.452681
where:
bonds (distance) C4'-P energy: -19.993
bonds (distance) P-C4' energy: -25.721
flat angles C4'-P-C4' energy: -30.488
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -45.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -534.836045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.836045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.836045 (E_RNA)
where:
Base-Base interactions energy: -394.186
where: short stacking energy: -150.324
Base-Backbone interact. energy: -0.668
local terms energy: -139.981983
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -29.710
flat angles C4'-P-C4' energy: -29.563
flat angles P-C4'-P energy: -19.174
tors. eta vs tors. theta energy: -45.083
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: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -510.117584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.117584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.117584 (E_RNA)
where:
Base-Base interactions energy: -378.793
where: short stacking energy: -145.968
Base-Backbone interact. energy: 1.185
local terms energy: -132.509595
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -28.124
flat angles P-C4'-P energy: -20.606
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: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -493.409338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.409338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.409338 (E_RNA)
where:
Base-Base interactions energy: -367.416
where: short stacking energy: -140.759
Base-Backbone interact. energy: -0.004
local terms energy: -125.989359
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -29.111
flat angles P-C4'-P energy: -18.865
tors. eta vs tors. theta energy: -42.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -302.225516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.225516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.225516 (E_RNA)
where:
Base-Base interactions energy: -193.715
where: short stacking energy: -86.755
Base-Backbone interact. energy: -1.195
local terms energy: -107.315640
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -26.736
flat angles C4'-P-C4' energy: -26.667
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -17.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -558.464631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.464631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.464631 (E_RNA)
where:
Base-Base interactions energy: -404.117
where: short stacking energy: -159.409
Base-Backbone interact. energy: -0.102
local terms energy: -154.245913
where:
bonds (distance) C4'-P energy: -26.913
bonds (distance) P-C4' energy: -28.017
flat angles C4'-P-C4' energy: -28.810
flat angles P-C4'-P energy: -24.058
tors. eta vs tors. theta energy: -46.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -551.661693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.661693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.661693 (E_RNA)
where:
Base-Base interactions energy: -401.319
where: short stacking energy: -158.944
Base-Backbone interact. energy: -0.618
local terms energy: -149.724213
where:
bonds (distance) C4'-P energy: -24.088
bonds (distance) P-C4' energy: -23.860
flat angles C4'-P-C4' energy: -31.242
flat angles P-C4'-P energy: -21.685
tors. eta vs tors. theta energy: -48.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -547.983507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.983507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.983507 (E_RNA)
where:
Base-Base interactions energy: -392.068
where: short stacking energy: -151.386
Base-Backbone interact. energy: -1.485
local terms energy: -154.430243
where:
bonds (distance) C4'-P energy: -26.278
bonds (distance) P-C4' energy: -30.981
flat angles C4'-P-C4' energy: -27.062
flat angles P-C4'-P energy: -23.268
tors. eta vs tors. theta energy: -46.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -547.462558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.462558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.462558 (E_RNA)
where:
Base-Base interactions energy: -395.686
where: short stacking energy: -158.364
Base-Backbone interact. energy: -0.843
local terms energy: -150.933796
where:
bonds (distance) C4'-P energy: -23.338
bonds (distance) P-C4' energy: -30.228
flat angles C4'-P-C4' energy: -31.658
flat angles P-C4'-P energy: -20.256
tors. eta vs tors. theta energy: -45.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -531.935023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.935023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.935023 (E_RNA)
where:
Base-Base interactions energy: -377.467
where: short stacking energy: -139.534
Base-Backbone interact. energy: -0.385
local terms energy: -154.083361
where:
bonds (distance) C4'-P energy: -29.892
bonds (distance) P-C4' energy: -24.822
flat angles C4'-P-C4' energy: -31.471
flat angles P-C4'-P energy: -25.529
tors. eta vs tors. theta energy: -42.369
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: 10
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -539.989441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.989441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.989441 (E_RNA)
where:
Base-Base interactions energy: -395.455
where: short stacking energy: -151.706
Base-Backbone interact. energy: -0.132
local terms energy: -144.402220
where:
bonds (distance) C4'-P energy: -19.858
bonds (distance) P-C4' energy: -27.824
flat angles C4'-P-C4' energy: -29.218
flat angles P-C4'-P energy: -20.681
tors. eta vs tors. theta energy: -46.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -517.239683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.239683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.239683 (E_RNA)
where:
Base-Base interactions energy: -375.998
where: short stacking energy: -144.019
Base-Backbone interact. energy: -0.229
local terms energy: -141.012862
where:
bonds (distance) C4'-P energy: -26.170
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -27.284
flat angles P-C4'-P energy: -20.366
tors. eta vs tors. theta energy: -44.229
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: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -512.279298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.279298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.279298 (E_RNA)
where:
Base-Base interactions energy: -382.218
where: short stacking energy: -154.881
Base-Backbone interact. energy: -0.457
local terms energy: -129.604022
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -25.335
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -46.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -503.897003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.897003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.897003 (E_RNA)
where:
Base-Base interactions energy: -374.806
where: short stacking energy: -139.123
Base-Backbone interact. energy: -0.007
local terms energy: -129.084567
where:
bonds (distance) C4'-P energy: -23.484
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -24.708
flat angles P-C4'-P energy: -20.202
tors. eta vs tors. theta energy: -38.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -287.656020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.656020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.656020 (E_RNA)
where:
Base-Base interactions energy: -194.962
where: short stacking energy: -88.338
Base-Backbone interact. energy: -0.338
local terms energy: -92.355547
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -19.825
flat angles C4'-P-C4' energy: -24.315
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -565.197539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.197539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.197539 (E_RNA)
where:
Base-Base interactions energy: -407.911
where: short stacking energy: -158.298
Base-Backbone interact. energy: -0.122
local terms energy: -157.164298
where:
bonds (distance) C4'-P energy: -29.933
bonds (distance) P-C4' energy: -25.829
flat angles C4'-P-C4' energy: -32.235
flat angles P-C4'-P energy: -23.315
tors. eta vs tors. theta energy: -45.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -548.192425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.192425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.192425 (E_RNA)
where:
Base-Base interactions energy: -396.140
where: short stacking energy: -153.615
Base-Backbone interact. energy: -0.348
local terms energy: -151.704619
where:
bonds (distance) C4'-P energy: -29.043
bonds (distance) P-C4' energy: -28.783
flat angles C4'-P-C4' energy: -27.683
flat angles P-C4'-P energy: -23.064
tors. eta vs tors. theta energy: -43.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -550.294805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.294805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.294805 (E_RNA)
where:
Base-Base interactions energy: -390.094
where: short stacking energy: -153.455
Base-Backbone interact. energy: -0.473
local terms energy: -159.727791
where:
bonds (distance) C4'-P energy: -26.415
bonds (distance) P-C4' energy: -29.027
flat angles C4'-P-C4' energy: -33.763
flat angles P-C4'-P energy: -21.869
tors. eta vs tors. theta energy: -48.655
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: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -538.207722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.207722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.207722 (E_RNA)
where:
Base-Base interactions energy: -391.662
where: short stacking energy: -159.577
Base-Backbone interact. energy: -0.743
local terms energy: -145.803404
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -25.666
flat angles C4'-P-C4' energy: -27.998
flat angles P-C4'-P energy: -21.654
tors. eta vs tors. theta energy: -47.286
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: 10
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -542.555706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.555706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.555706 (E_RNA)
where:
Base-Base interactions energy: -380.447
where: short stacking energy: -144.316
Base-Backbone interact. energy: -0.281
local terms energy: -161.828062
where:
bonds (distance) C4'-P energy: -30.348
bonds (distance) P-C4' energy: -30.281
flat angles C4'-P-C4' energy: -30.686
flat angles P-C4'-P energy: -23.779
tors. eta vs tors. theta energy: -46.734
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: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -535.589264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.589264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.589264 (E_RNA)
where:
Base-Base interactions energy: -387.916
where: short stacking energy: -147.227
Base-Backbone interact. energy: -1.773
local terms energy: -145.899890
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -23.545
flat angles C4'-P-C4' energy: -30.754
flat angles P-C4'-P energy: -21.750
tors. eta vs tors. theta energy: -47.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -517.290598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.290598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.290598 (E_RNA)
where:
Base-Base interactions energy: -378.053
where: short stacking energy: -144.656
Base-Backbone interact. energy: -0.075
local terms energy: -139.162262
where:
bonds (distance) C4'-P energy: -25.033
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -26.619
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: -42.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -496.490525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.490525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.490525 (E_RNA)
where:
Base-Base interactions energy: -372.038
where: short stacking energy: -139.017
Base-Backbone interact. energy: -1.753
local terms energy: -122.699425
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -27.459
flat angles P-C4'-P energy: -17.947
tors. eta vs tors. theta energy: -42.595
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: 4
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -492.380620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.380620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.380620 (E_RNA)
where:
Base-Base interactions energy: -358.148
where: short stacking energy: -140.232
Base-Backbone interact. energy: -0.093
local terms energy: -134.139528
where:
bonds (distance) C4'-P energy: -24.748
bonds (distance) P-C4' energy: -26.958
flat angles C4'-P-C4' energy: -26.804
flat angles P-C4'-P energy: -15.546
tors. eta vs tors. theta energy: -40.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -303.761013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.761013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.761013 (E_RNA)
where:
Base-Base interactions energy: -195.890
where: short stacking energy: -92.499
Base-Backbone interact. energy: -0.459
local terms energy: -107.411739
where:
bonds (distance) C4'-P energy: -22.045
bonds (distance) P-C4' energy: -25.809
flat angles C4'-P-C4' energy: -27.992
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -24.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -562.462464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.462464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.462464 (E_RNA)
where:
Base-Base interactions energy: -414.483
where: short stacking energy: -165.142
Base-Backbone interact. energy: -0.375
local terms energy: -147.604988
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -24.781
flat angles C4'-P-C4' energy: -29.332
flat angles P-C4'-P energy: -25.031
tors. eta vs tors. theta energy: -48.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -552.606084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.606084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.606084 (E_RNA)
where:
Base-Base interactions energy: -401.192
where: short stacking energy: -158.007
Base-Backbone interact. energy: -0.494
local terms energy: -150.920209
where:
bonds (distance) C4'-P energy: -26.300
bonds (distance) P-C4' energy: -23.522
flat angles C4'-P-C4' energy: -27.952
flat angles P-C4'-P energy: -24.703
tors. eta vs tors. theta energy: -48.445
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: 343
Temperature: 1.000000
Total energy: -555.680817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.680817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.680817 (E_RNA)
where:
Base-Base interactions energy: -405.475
where: short stacking energy: -162.855
Base-Backbone interact. energy: -0.485
local terms energy: -149.720794
where:
bonds (distance) C4'-P energy: -24.725
bonds (distance) P-C4' energy: -25.947
flat angles C4'-P-C4' energy: -29.433
flat angles P-C4'-P energy: -20.697
tors. eta vs tors. theta energy: -48.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -541.045077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.045077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.045077 (E_RNA)
where:
Base-Base interactions energy: -387.308
where: short stacking energy: -152.538
Base-Backbone interact. energy: -1.038
local terms energy: -152.698318
where:
bonds (distance) C4'-P energy: -27.278
bonds (distance) P-C4' energy: -24.147
flat angles C4'-P-C4' energy: -32.052
flat angles P-C4'-P energy: -21.164
tors. eta vs tors. theta energy: -48.057
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: 5, replica: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -533.964373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.964373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.964373 (E_RNA)
where:
Base-Base interactions energy: -388.787
where: short stacking energy: -146.933
Base-Backbone interact. energy: -1.099
local terms energy: -144.077649
where:
bonds (distance) C4'-P energy: -28.705
bonds (distance) P-C4' energy: -24.325
flat angles C4'-P-C4' energy: -29.048
flat angles P-C4'-P energy: -18.518
tors. eta vs tors. theta energy: -43.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -539.640877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.640877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.640877 (E_RNA)
where:
Base-Base interactions energy: -403.057
where: short stacking energy: -157.279
Base-Backbone interact. energy: -0.161
local terms energy: -136.423396
where:
bonds (distance) C4'-P energy: -22.631
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -23.965
flat angles P-C4'-P energy: -21.084
tors. eta vs tors. theta energy: -44.757
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: 343
Temperature: 1.200000
Total energy: -520.833572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.833572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.833572 (E_RNA)
where:
Base-Base interactions energy: -390.175
where: short stacking energy: -152.971
Base-Backbone interact. energy: -0.044
local terms energy: -130.613919
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -29.627
flat angles P-C4'-P energy: -22.424
tors. eta vs tors. theta energy: -46.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -513.769838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.769838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.769838 (E_RNA)
where:
Base-Base interactions energy: -374.965
where: short stacking energy: -148.917
Base-Backbone interact. energy: -0.581
local terms energy: -138.224034
where:
bonds (distance) C4'-P energy: -23.728
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -30.119
flat angles P-C4'-P energy: -18.353
tors. eta vs tors. theta energy: -42.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -497.081302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.081302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.081302 (E_RNA)
where:
Base-Base interactions energy: -363.681
where: short stacking energy: -133.195
Base-Backbone interact. energy: -0.499
local terms energy: -132.901691
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -29.543
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -43.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -294.323012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.323012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.323012 (E_RNA)
where:
Base-Base interactions energy: -194.877
where: short stacking energy: -83.240
Base-Backbone interact. energy: -0.301
local terms energy: -99.144563
where:
bonds (distance) C4'-P energy: -21.823
bonds (distance) P-C4' energy: -26.801
flat angles C4'-P-C4' energy: -23.543
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -16.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -569.001534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.001534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.001534 (E_RNA)
where:
Base-Base interactions energy: -416.328
where: short stacking energy: -164.998
Base-Backbone interact. energy: -0.698
local terms energy: -151.976342
where:
bonds (distance) C4'-P energy: -24.077
bonds (distance) P-C4' energy: -24.060
flat angles C4'-P-C4' energy: -31.524
flat angles P-C4'-P energy: -24.070
tors. eta vs tors. theta energy: -48.245
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: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -561.170588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.170588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.170588 (E_RNA)
where:
Base-Base interactions energy: -404.328
where: short stacking energy: -156.507
Base-Backbone interact. energy: -0.002
local terms energy: -156.840916
where:
bonds (distance) C4'-P energy: -28.368
bonds (distance) P-C4' energy: -25.844
flat angles C4'-P-C4' energy: -31.706
flat angles P-C4'-P energy: -23.815
tors. eta vs tors. theta energy: -47.109
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: 10
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -546.122139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.122139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.122139 (E_RNA)
where:
Base-Base interactions energy: -390.954
where: short stacking energy: -152.858
Base-Backbone interact. energy: -0.946
local terms energy: -154.221599
where:
bonds (distance) C4'-P energy: -24.626
bonds (distance) P-C4' energy: -28.408
flat angles C4'-P-C4' energy: -27.582
flat angles P-C4'-P energy: -27.256
tors. eta vs tors. theta energy: -46.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -544.628931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.628931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.628931 (E_RNA)
where:
Base-Base interactions energy: -391.144
where: short stacking energy: -154.037
Base-Backbone interact. energy: -0.451
local terms energy: -153.034078
where:
bonds (distance) C4'-P energy: -26.689
bonds (distance) P-C4' energy: -26.209
flat angles C4'-P-C4' energy: -30.372
flat angles P-C4'-P energy: -21.497
tors. eta vs tors. theta energy: -48.267
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: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -530.278169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.278169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.278169 (E_RNA)
where:
Base-Base interactions energy: -390.580
where: short stacking energy: -157.146
Base-Backbone interact. energy: 1.321
local terms energy: -141.019240
where:
bonds (distance) C4'-P energy: -21.049
bonds (distance) P-C4' energy: -23.871
flat angles C4'-P-C4' energy: -29.780
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -44.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -516.547912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.547912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.547912 (E_RNA)
where:
Base-Base interactions energy: -387.603
where: short stacking energy: -146.738
Base-Backbone interact. energy: -0.857
local terms energy: -128.087618
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -27.448
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -46.405
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: 4
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -530.198495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.198495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.198495 (E_RNA)
where:
Base-Base interactions energy: -390.531
where: short stacking energy: -157.866
Base-Backbone interact. energy: -0.040
local terms energy: -139.627633
where:
bonds (distance) C4'-P energy: -27.160
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -30.749
flat angles P-C4'-P energy: -18.544
tors. eta vs tors. theta energy: -47.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -517.244659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.244659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.244659 (E_RNA)
where:
Base-Base interactions energy: -387.320
where: short stacking energy: -150.367
Base-Backbone interact. energy: -1.153
local terms energy: -128.771864
where:
bonds (distance) C4'-P energy: -25.103
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -21.305
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -45.137
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: 344
Temperature: 1.300000
Total energy: -507.021979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.021979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.021979 (E_RNA)
where:
Base-Base interactions energy: -361.354
where: short stacking energy: -135.057
Base-Backbone interact. energy: -0.003
local terms energy: -145.665630
where:
bonds (distance) C4'-P energy: -29.996
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -28.535
flat angles P-C4'-P energy: -20.194
tors. eta vs tors. theta energy: -43.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -293.766348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.766348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.766348 (E_RNA)
where:
Base-Base interactions energy: -199.347
where: short stacking energy: -87.844
Base-Backbone interact. energy: -0.682
local terms energy: -93.737693
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -20.903
flat angles C4'-P-C4' energy: -26.840
flat angles P-C4'-P energy: -15.570
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -559.217230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.217230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.217230 (E_RNA)
where:
Base-Base interactions energy: -400.874
where: short stacking energy: -153.284
Base-Backbone interact. energy: -0.001
local terms energy: -158.342187
where:
bonds (distance) C4'-P energy: -29.689
bonds (distance) P-C4' energy: -28.840
flat angles C4'-P-C4' energy: -31.583
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -45.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -557.783089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.783089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.783089 (E_RNA)
where:
Base-Base interactions energy: -403.683
where: short stacking energy: -159.140
Base-Backbone interact. energy: -0.755
local terms energy: -153.345089
where:
bonds (distance) C4'-P energy: -26.441
bonds (distance) P-C4' energy: -24.382
flat angles C4'-P-C4' energy: -29.366
flat angles P-C4'-P energy: -25.010
tors. eta vs tors. theta energy: -48.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -545.978674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.978674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.978674 (E_RNA)
where:
Base-Base interactions energy: -390.362
where: short stacking energy: -150.215
Base-Backbone interact. energy: -0.677
local terms energy: -154.939536
where:
bonds (distance) C4'-P energy: -26.445
bonds (distance) P-C4' energy: -23.770
flat angles C4'-P-C4' energy: -31.059
flat angles P-C4'-P energy: -26.021
tors. eta vs tors. theta energy: -47.646
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: 345
Temperature: 1.050000
Total energy: -545.007034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.007034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.007034 (E_RNA)
where:
Base-Base interactions energy: -401.396
where: short stacking energy: -157.721
Base-Backbone interact. energy: -0.455
local terms energy: -143.156371
where:
bonds (distance) C4'-P energy: -23.839
bonds (distance) P-C4' energy: -24.852
flat angles C4'-P-C4' energy: -27.859
flat angles P-C4'-P energy: -18.920
tors. eta vs tors. theta energy: -47.686
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: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -530.072546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.072546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.072546 (E_RNA)
where:
Base-Base interactions energy: -386.671
where: short stacking energy: -154.229
Base-Backbone interact. energy: -0.004
local terms energy: -143.396839
where:
bonds (distance) C4'-P energy: -25.389
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -28.020
flat angles P-C4'-P energy: -19.355
tors. eta vs tors. theta energy: -48.351
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: 4
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -517.516261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.516261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.516261 (E_RNA)
where:
Base-Base interactions energy: -373.317
where: short stacking energy: -140.233
Base-Backbone interact. energy: -0.100
local terms energy: -144.099645
where:
bonds (distance) C4'-P energy: -25.077
bonds (distance) P-C4' energy: -29.048
flat angles C4'-P-C4' energy: -28.794
flat angles P-C4'-P energy: -20.381
tors. eta vs tors. theta energy: -40.800
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: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -528.035373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.035373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.035373 (E_RNA)
where:
Base-Base interactions energy: -385.687
where: short stacking energy: -147.751
Base-Backbone interact. energy: -0.002
local terms energy: -142.345816
where:
bonds (distance) C4'-P energy: -24.700
bonds (distance) P-C4' energy: -24.758
flat angles C4'-P-C4' energy: -29.647
flat angles P-C4'-P energy: -19.313
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: 8, replica: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -511.210603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.210603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.210603 (E_RNA)
where:
Base-Base interactions energy: -371.143
where: short stacking energy: -143.245
Base-Backbone interact. energy: -1.536
local terms energy: -138.531213
where:
bonds (distance) C4'-P energy: -20.528
bonds (distance) P-C4' energy: -27.124
flat angles C4'-P-C4' energy: -28.833
flat angles P-C4'-P energy: -20.033
tors. eta vs tors. theta energy: -42.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -483.870459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.870459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.870459 (E_RNA)
where:
Base-Base interactions energy: -355.743
where: short stacking energy: -133.833
Base-Backbone interact. energy: -0.609
local terms energy: -127.518967
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -30.277
flat angles P-C4'-P energy: -19.711
tors. eta vs tors. theta energy: -41.446
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: 345
Temperature: 1.350000
Total energy: -294.608083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.608083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.608083 (E_RNA)
where:
Base-Base interactions energy: -192.138
where: short stacking energy: -83.650
Base-Backbone interact. energy: -0.197
local terms energy: -102.273552
where:
bonds (distance) C4'-P energy: -21.753
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -26.254
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -19.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -561.122928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.122928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.122928 (E_RNA)
where:
Base-Base interactions energy: -401.247
where: short stacking energy: -160.481
Base-Backbone interact. energy: -0.290
local terms energy: -159.585630
where:
bonds (distance) C4'-P energy: -28.632
bonds (distance) P-C4' energy: -24.913
flat angles C4'-P-C4' energy: -33.652
flat angles P-C4'-P energy: -25.135
tors. eta vs tors. theta energy: -47.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -558.998227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.998227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.998227 (E_RNA)
where:
Base-Base interactions energy: -396.924
where: short stacking energy: -153.966
Base-Backbone interact. energy: -0.730
local terms energy: -161.343843
where:
bonds (distance) C4'-P energy: -32.236
bonds (distance) P-C4' energy: -26.681
flat angles C4'-P-C4' energy: -28.985
flat angles P-C4'-P energy: -25.335
tors. eta vs tors. theta energy: -48.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -548.335615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.335615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.335615 (E_RNA)
where:
Base-Base interactions energy: -391.364
where: short stacking energy: -153.956
Base-Backbone interact. energy: -0.122
local terms energy: -156.850408
where:
bonds (distance) C4'-P energy: -27.984
bonds (distance) P-C4' energy: -28.582
flat angles C4'-P-C4' energy: -32.034
flat angles P-C4'-P energy: -22.861
tors. eta vs tors. theta energy: -45.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -542.377090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.377090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.377090 (E_RNA)
where:
Base-Base interactions energy: -392.293
where: short stacking energy: -156.109
Base-Backbone interact. energy: -1.163
local terms energy: -148.921110
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -28.985
flat angles P-C4'-P energy: -22.720
tors. eta vs tors. theta energy: -46.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -532.601039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.601039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.601039 (E_RNA)
where:
Base-Base interactions energy: -390.599
where: short stacking energy: -148.013
Base-Backbone interact. energy: -0.424
local terms energy: -141.578321
where:
bonds (distance) C4'-P energy: -26.163
bonds (distance) P-C4' energy: -19.204
flat angles C4'-P-C4' energy: -26.895
flat angles P-C4'-P energy: -22.272
tors. eta vs tors. theta energy: -47.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -522.466288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.466288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.466288 (E_RNA)
where:
Base-Base interactions energy: -380.762
where: short stacking energy: -147.794
Base-Backbone interact. energy: -0.056
local terms energy: -141.648415
where:
bonds (distance) C4'-P energy: -25.845
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -29.363
flat angles P-C4'-P energy: -18.564
tors. eta vs tors. theta energy: -45.163
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: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -528.667132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.667132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.667132 (E_RNA)
where:
Base-Base interactions energy: -382.371
where: short stacking energy: -150.169
Base-Backbone interact. energy: -0.005
local terms energy: -146.291842
where:
bonds (distance) C4'-P energy: -23.979
bonds (distance) P-C4' energy: -24.551
flat angles C4'-P-C4' energy: -29.746
flat angles P-C4'-P energy: -22.422
tors. eta vs tors. theta energy: -45.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -503.281026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.281026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.281026 (E_RNA)
where:
Base-Base interactions energy: -372.022
where: short stacking energy: -144.623
Base-Backbone interact. energy: -0.487
local terms energy: -130.772205
where:
bonds (distance) C4'-P energy: -26.232
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -24.273
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -44.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -507.794889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.794889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.794889 (E_RNA)
where:
Base-Base interactions energy: -373.071
where: short stacking energy: -141.931
Base-Backbone interact. energy: -0.866
local terms energy: -133.857165
where:
bonds (distance) C4'-P energy: -22.743
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -29.476
flat angles P-C4'-P energy: -17.649
tors. eta vs tors. theta energy: -46.242
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: 10, replica: 2
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -297.834676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.834676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.834676 (E_RNA)
where:
Base-Base interactions energy: -194.483
where: short stacking energy: -87.381
Base-Backbone interact. energy: -0.656
local terms energy: -102.695797
where:
bonds (distance) C4'-P energy: -24.323
bonds (distance) P-C4' energy: -23.237
flat angles C4'-P-C4' energy: -26.687
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -14.638
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: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -561.577190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.577190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.577190 (E_RNA)
where:
Base-Base interactions energy: -411.100
where: short stacking energy: -161.264
Base-Backbone interact. energy: -0.002
local terms energy: -150.475052
where:
bonds (distance) C4'-P energy: -25.168
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -32.137
flat angles P-C4'-P energy: -25.029
tors. eta vs tors. theta energy: -47.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -568.349411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.349411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.349411 (E_RNA)
where:
Base-Base interactions energy: -414.166
where: short stacking energy: -160.323
Base-Backbone interact. energy: -0.333
local terms energy: -153.850920
where:
bonds (distance) C4'-P energy: -27.680
bonds (distance) P-C4' energy: -26.991
flat angles C4'-P-C4' energy: -33.170
flat angles P-C4'-P energy: -19.951
tors. eta vs tors. theta energy: -46.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -549.250001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.250001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.250001 (E_RNA)
where:
Base-Base interactions energy: -383.330
where: short stacking energy: -148.526
Base-Backbone interact. energy: -0.197
local terms energy: -165.723308
where:
bonds (distance) C4'-P energy: -28.332
bonds (distance) P-C4' energy: -34.160
flat angles C4'-P-C4' energy: -30.700
flat angles P-C4'-P energy: -24.632
tors. eta vs tors. theta energy: -47.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -530.974220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.974220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.974220 (E_RNA)
where:
Base-Base interactions energy: -398.120
where: short stacking energy: -158.454
Base-Backbone interact. energy: -0.815
local terms energy: -132.039507
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -31.146
flat angles P-C4'-P energy: -19.012
tors. eta vs tors. theta energy: -45.977
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: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -536.865672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.865672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.865672 (E_RNA)
where:
Base-Base interactions energy: -394.954
where: short stacking energy: -155.347
Base-Backbone interact. energy: -0.194
local terms energy: -141.718393
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -28.642
flat angles P-C4'-P energy: -23.823
tors. eta vs tors. theta energy: -44.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -533.482954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.482954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.482954 (E_RNA)
where:
Base-Base interactions energy: -392.366
where: short stacking energy: -155.270
Base-Backbone interact. energy: -0.690
local terms energy: -140.426925
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -28.588
flat angles P-C4'-P energy: -24.974
tors. eta vs tors. theta energy: -48.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -533.568008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.568008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.568008 (E_RNA)
where:
Base-Base interactions energy: -393.282
where: short stacking energy: -153.935
Base-Backbone interact. energy: -1.285
local terms energy: -139.001167
where:
bonds (distance) C4'-P energy: -27.294
bonds (distance) P-C4' energy: -21.216
flat angles C4'-P-C4' energy: -27.224
flat angles P-C4'-P energy: -19.260
tors. eta vs tors. theta energy: -44.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -507.258677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.258677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.258677 (E_RNA)
where:
Base-Base interactions energy: -380.199
where: short stacking energy: -155.839
Base-Backbone interact. energy: -0.160
local terms energy: -126.900159
where:
bonds (distance) C4'-P energy: -25.629
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -28.883
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -44.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -520.258247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.258247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.258247 (E_RNA)
where:
Base-Base interactions energy: -377.545
where: short stacking energy: -147.794
Base-Backbone interact. energy: -0.744
local terms energy: -141.968995
where:
bonds (distance) C4'-P energy: -24.921
bonds (distance) P-C4' energy: -29.055
flat angles C4'-P-C4' energy: -25.888
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: -44.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -296.225628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.225628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.225628 (E_RNA)
where:
Base-Base interactions energy: -196.293
where: short stacking energy: -90.369
Base-Backbone interact. energy: -0.450
local terms energy: -99.482185
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -19.406
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -22.359
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: 8
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -567.462378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.462378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.462378 (E_RNA)
where:
Base-Base interactions energy: -406.251
where: short stacking energy: -158.593
Base-Backbone interact. energy: -0.708
local terms energy: -160.503275
where:
bonds (distance) C4'-P energy: -29.276
bonds (distance) P-C4' energy: -28.455
flat angles C4'-P-C4' energy: -33.301
flat angles P-C4'-P energy: -22.333
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: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -556.744470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.744470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.744470 (E_RNA)
where:
Base-Base interactions energy: -403.971
where: short stacking energy: -158.199
Base-Backbone interact. energy: -1.090
local terms energy: -151.683641
where:
bonds (distance) C4'-P energy: -24.573
bonds (distance) P-C4' energy: -28.666
flat angles C4'-P-C4' energy: -28.594
flat angles P-C4'-P energy: -23.131
tors. eta vs tors. theta energy: -46.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -553.402155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.402155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.402155 (E_RNA)
where:
Base-Base interactions energy: -401.170
where: short stacking energy: -160.220
Base-Backbone interact. energy: -0.124
local terms energy: -152.108183
where:
bonds (distance) C4'-P energy: -26.254
bonds (distance) P-C4' energy: -23.277
flat angles C4'-P-C4' energy: -33.319
flat angles P-C4'-P energy: -22.262
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: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -537.422466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.422466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.422466 (E_RNA)
where:
Base-Base interactions energy: -387.403
where: short stacking energy: -152.184
Base-Backbone interact. energy: -0.407
local terms energy: -149.613179
where:
bonds (distance) C4'-P energy: -23.992
bonds (distance) P-C4' energy: -28.695
flat angles C4'-P-C4' energy: -26.657
flat angles P-C4'-P energy: -26.682
tors. eta vs tors. theta energy: -43.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -529.661664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.661664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.661664 (E_RNA)
where:
Base-Base interactions energy: -374.147
where: short stacking energy: -143.094
Base-Backbone interact. energy: -0.055
local terms energy: -155.459506
where:
bonds (distance) C4'-P energy: -26.498
bonds (distance) P-C4' energy: -31.711
flat angles C4'-P-C4' energy: -32.514
flat angles P-C4'-P energy: -20.043
tors. eta vs tors. theta energy: -44.693
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: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -531.949381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.949381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.949381 (E_RNA)
where:
Base-Base interactions energy: -388.232
where: short stacking energy: -151.562
Base-Backbone interact. energy: -0.505
local terms energy: -143.212317
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -28.510
flat angles C4'-P-C4' energy: -30.146
flat angles P-C4'-P energy: -19.869
tors. eta vs tors. theta energy: -46.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -525.964843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.964843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.964843 (E_RNA)
where:
Base-Base interactions energy: -383.674
where: short stacking energy: -152.724
Base-Backbone interact. energy: -0.002
local terms energy: -142.289576
where:
bonds (distance) C4'-P energy: -25.188
bonds (distance) P-C4' energy: -24.810
flat angles C4'-P-C4' energy: -32.618
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -46.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -500.331170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.331170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.331170 (E_RNA)
where:
Base-Base interactions energy: -366.207
where: short stacking energy: -140.901
Base-Backbone interact. energy: -0.006
local terms energy: -134.118310
where:
bonds (distance) C4'-P energy: -20.894
bonds (distance) P-C4' energy: -27.837
flat angles C4'-P-C4' energy: -27.724
flat angles P-C4'-P energy: -17.937
tors. eta vs tors. theta energy: -39.726
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: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -482.469697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.469697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.469697 (E_RNA)
where:
Base-Base interactions energy: -359.149
where: short stacking energy: -135.152
Base-Backbone interact. energy: -0.132
local terms energy: -123.188597
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -25.077
flat angles C4'-P-C4' energy: -22.130
flat angles P-C4'-P energy: -18.288
tors. eta vs tors. theta energy: -40.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -304.479155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.479155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.479155 (E_RNA)
where:
Base-Base interactions energy: -204.381
where: short stacking energy: -88.922
Base-Backbone interact. energy: -0.308
local terms energy: -99.789322
where:
bonds (distance) C4'-P energy: -26.449
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -22.323
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: 8
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -564.630497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.630497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.630497 (E_RNA)
where:
Base-Base interactions energy: -409.991
where: short stacking energy: -155.939
Base-Backbone interact. energy: -0.752
local terms energy: -153.887297
where:
bonds (distance) C4'-P energy: -26.449
bonds (distance) P-C4' energy: -30.383
flat angles C4'-P-C4' energy: -29.565
flat angles P-C4'-P energy: -20.279
tors. eta vs tors. theta energy: -47.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -555.050282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.050282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.050282 (E_RNA)
where:
Base-Base interactions energy: -406.440
where: short stacking energy: -163.132
Base-Backbone interact. energy: -0.001
local terms energy: -148.608985
where:
bonds (distance) C4'-P energy: -27.316
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -27.853
flat angles P-C4'-P energy: -23.707
tors. eta vs tors. theta energy: -46.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -549.341184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.341184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.341184 (E_RNA)
where:
Base-Base interactions energy: -400.034
where: short stacking energy: -155.239
Base-Backbone interact. energy: -0.002
local terms energy: -149.304741
where:
bonds (distance) C4'-P energy: -29.706
bonds (distance) P-C4' energy: -26.408
flat angles C4'-P-C4' energy: -24.180
flat angles P-C4'-P energy: -20.750
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: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -541.099115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.099115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.099115 (E_RNA)
where:
Base-Base interactions energy: -399.776
where: short stacking energy: -158.694
Base-Backbone interact. energy: -0.045
local terms energy: -141.277981
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -25.409
flat angles C4'-P-C4' energy: -28.171
flat angles P-C4'-P energy: -23.005
tors. eta vs tors. theta energy: -44.389
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: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -538.154717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.154717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.154717 (E_RNA)
where:
Base-Base interactions energy: -396.989
where: short stacking energy: -157.736
Base-Backbone interact. energy: -0.716
local terms energy: -140.449658
where:
bonds (distance) C4'-P energy: -25.352
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -29.189
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -46.521
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: 7
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -526.517427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.517427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.517427 (E_RNA)
where:
Base-Base interactions energy: -381.490
where: short stacking energy: -148.168
Base-Backbone interact. energy: -0.034
local terms energy: -144.993119
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -30.297
flat angles P-C4'-P energy: -26.044
tors. eta vs tors. theta energy: -42.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -518.963611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.963611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.963611 (E_RNA)
where:
Base-Base interactions energy: -383.285
where: short stacking energy: -146.750
Base-Backbone interact. energy: -0.037
local terms energy: -135.641291
where:
bonds (distance) C4'-P energy: -20.226
bonds (distance) P-C4' energy: -29.607
flat angles C4'-P-C4' energy: -25.166
flat angles P-C4'-P energy: -19.589
tors. eta vs tors. theta energy: -41.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -506.906279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.906279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.906279 (E_RNA)
where:
Base-Base interactions energy: -370.745
where: short stacking energy: -146.145
Base-Backbone interact. energy: -1.071
local terms energy: -135.090628
where:
bonds (distance) C4'-P energy: -20.064
bonds (distance) P-C4' energy: -22.594
flat angles C4'-P-C4' energy: -28.262
flat angles P-C4'-P energy: -17.887
tors. eta vs tors. theta energy: -46.284
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: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -509.480671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.480671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.480671 (E_RNA)
where:
Base-Base interactions energy: -370.015
where: short stacking energy: -144.344
Base-Backbone interact. energy: -1.466
local terms energy: -138.000325
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -26.364
flat angles C4'-P-C4' energy: -24.517
flat angles P-C4'-P energy: -22.628
tors. eta vs tors. theta energy: -44.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -299.291658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.291658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.291658 (E_RNA)
where:
Base-Base interactions energy: -193.516
where: short stacking energy: -80.593
Base-Backbone interact. energy: -1.069
local terms energy: -104.706458
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -25.065
flat angles C4'-P-C4' energy: -26.827
flat angles P-C4'-P energy: -19.159
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -575.288062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.288062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.288062 (E_RNA)
where:
Base-Base interactions energy: -420.486
where: short stacking energy: -166.107
Base-Backbone interact. energy: -1.308
local terms energy: -153.494153
where:
bonds (distance) C4'-P energy: -27.575
bonds (distance) P-C4' energy: -22.448
flat angles C4'-P-C4' energy: -31.483
flat angles P-C4'-P energy: -23.176
tors. eta vs tors. theta energy: -48.813
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: 5
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -557.990409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.990409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.990409 (E_RNA)
where:
Base-Base interactions energy: -407.211
where: short stacking energy: -157.698
Base-Backbone interact. energy: -0.007
local terms energy: -150.772451
where:
bonds (distance) C4'-P energy: -30.302
bonds (distance) P-C4' energy: -23.984
flat angles C4'-P-C4' energy: -29.951
flat angles P-C4'-P energy: -22.260
tors. eta vs tors. theta energy: -44.275
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: 3, replica: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -558.038733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.038733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.038733 (E_RNA)
where:
Base-Base interactions energy: -407.053
where: short stacking energy: -157.348
Base-Backbone interact. energy: -0.843
local terms energy: -150.143166
where:
bonds (distance) C4'-P energy: -29.180
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -29.537
flat angles P-C4'-P energy: -20.960
tors. eta vs tors. theta energy: -47.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -539.393759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.393759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.393759 (E_RNA)
where:
Base-Base interactions energy: -392.776
where: short stacking energy: -155.712
Base-Backbone interact. energy: -0.395
local terms energy: -146.222624
where:
bonds (distance) C4'-P energy: -28.445
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -31.446
flat angles P-C4'-P energy: -19.087
tors. eta vs tors. theta energy: -45.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -540.158891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.158891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.158891 (E_RNA)
where:
Base-Base interactions energy: -402.173
where: short stacking energy: -157.896
Base-Backbone interact. energy: -0.380
local terms energy: -137.606708
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -24.731
flat angles C4'-P-C4' energy: -24.945
flat angles P-C4'-P energy: -25.934
tors. eta vs tors. theta energy: -43.392
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: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -537.190105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.190105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.190105 (E_RNA)
where:
Base-Base interactions energy: -384.529
where: short stacking energy: -152.034
Base-Backbone interact. energy: -0.039
local terms energy: -152.622513
where:
bonds (distance) C4'-P energy: -25.910
bonds (distance) P-C4' energy: -24.330
flat angles C4'-P-C4' energy: -31.918
flat angles P-C4'-P energy: -25.363
tors. eta vs tors. theta energy: -45.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -522.351002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.351002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.351002 (E_RNA)
where:
Base-Base interactions energy: -382.800
where: short stacking energy: -149.758
Base-Backbone interact. energy: -0.004
local terms energy: -139.547287
where:
bonds (distance) C4'-P energy: -23.321
bonds (distance) P-C4' energy: -21.501
flat angles C4'-P-C4' energy: -27.727
flat angles P-C4'-P energy: -20.468
tors. eta vs tors. theta energy: -46.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -512.174988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.174988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.174988 (E_RNA)
where:
Base-Base interactions energy: -383.162
where: short stacking energy: -151.298
Base-Backbone interact. energy: -0.235
local terms energy: -128.778216
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -18.782
flat angles C4'-P-C4' energy: -28.072
flat angles P-C4'-P energy: -22.143
tors. eta vs tors. theta energy: -43.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -497.735188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.735188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.735188 (E_RNA)
where:
Base-Base interactions energy: -369.373
where: short stacking energy: -138.783
Base-Backbone interact. energy: 2.762
local terms energy: -131.123576
where:
bonds (distance) C4'-P energy: -21.476
bonds (distance) P-C4' energy: -21.407
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -18.786
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: 10, replica: 2
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -287.321733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.321733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.321733 (E_RNA)
where:
Base-Base interactions energy: -196.140
where: short stacking energy: -89.464
Base-Backbone interact. energy: -1.714
local terms energy: -89.467780
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -18.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -555.478175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.478175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.478175 (E_RNA)
where:
Base-Base interactions energy: -412.358
where: short stacking energy: -162.672
Base-Backbone interact. energy: -2.085
local terms energy: -141.034676
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -31.977
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -48.169
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: 4
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -552.696126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.696126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.696126 (E_RNA)
where:
Base-Base interactions energy: -396.114
where: short stacking energy: -148.116
Base-Backbone interact. energy: -0.967
local terms energy: -155.615390
where:
bonds (distance) C4'-P energy: -30.203
bonds (distance) P-C4' energy: -28.221
flat angles C4'-P-C4' energy: -29.351
flat angles P-C4'-P energy: -24.245
tors. eta vs tors. theta energy: -43.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -552.013100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.013100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.013100 (E_RNA)
where:
Base-Base interactions energy: -398.648
where: short stacking energy: -154.965
Base-Backbone interact. energy: -1.428
local terms energy: -151.936895
where:
bonds (distance) C4'-P energy: -23.486
bonds (distance) P-C4' energy: -27.314
flat angles C4'-P-C4' energy: -29.330
flat angles P-C4'-P energy: -22.826
tors. eta vs tors. theta energy: -48.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -546.214588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.214588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.214588 (E_RNA)
where:
Base-Base interactions energy: -389.039
where: short stacking energy: -152.349
Base-Backbone interact. energy: -0.628
local terms energy: -156.547556
where:
bonds (distance) C4'-P energy: -25.447
bonds (distance) P-C4' energy: -32.173
flat angles C4'-P-C4' energy: -30.792
flat angles P-C4'-P energy: -21.158
tors. eta vs tors. theta energy: -46.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -537.536583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.536583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.536583 (E_RNA)
where:
Base-Base interactions energy: -398.549
where: short stacking energy: -156.727
Base-Backbone interact. energy: -0.951
local terms energy: -138.036723
where:
bonds (distance) C4'-P energy: -23.573
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -28.580
flat angles P-C4'-P energy: -22.071
tors. eta vs tors. theta energy: -46.823
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: 351
Temperature: 1.150000
Total energy: -527.642984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.642984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.642984 (E_RNA)
where:
Base-Base interactions energy: -379.510
where: short stacking energy: -140.572
Base-Backbone interact. energy: 0.767
local terms energy: -148.900468
where:
bonds (distance) C4'-P energy: -26.281
bonds (distance) P-C4' energy: -29.643
flat angles C4'-P-C4' energy: -31.917
flat angles P-C4'-P energy: -17.942
tors. eta vs tors. theta energy: -43.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -519.646159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.646159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.646159 (E_RNA)
where:
Base-Base interactions energy: -379.375
where: short stacking energy: -145.304
Base-Backbone interact. energy: -0.005
local terms energy: -140.265713
where:
bonds (distance) C4'-P energy: -23.261
bonds (distance) P-C4' energy: -25.585
flat angles C4'-P-C4' energy: -23.610
flat angles P-C4'-P energy: -22.230
tors. eta vs tors. theta energy: -45.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -509.604668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.604668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.604668 (E_RNA)
where:
Base-Base interactions energy: -373.235
where: short stacking energy: -147.521
Base-Backbone interact. energy: -1.015
local terms energy: -135.354907
where:
bonds (distance) C4'-P energy: -21.410
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -30.306
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -43.494
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: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -501.860661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.860661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.860661 (E_RNA)
where:
Base-Base interactions energy: -372.648
where: short stacking energy: -145.856
Base-Backbone interact. energy: 0.032
local terms energy: -129.244859
where:
bonds (distance) C4'-P energy: -24.223
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -25.765
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -42.495
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: 351
Temperature: 1.350000
Total energy: -282.397068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.397068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.397068 (E_RNA)
where:
Base-Base interactions energy: -197.276
where: short stacking energy: -84.033
Base-Backbone interact. energy: 1.014
local terms energy: -86.134821
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -22.736
flat angles C4'-P-C4' energy: -20.974
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -16.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -565.607164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.607164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.607164 (E_RNA)
where:
Base-Base interactions energy: -408.164
where: short stacking energy: -157.673
Base-Backbone interact. energy: -0.444
local terms energy: -156.999254
where:
bonds (distance) C4'-P energy: -28.111
bonds (distance) P-C4' energy: -26.670
flat angles C4'-P-C4' energy: -30.659
flat angles P-C4'-P energy: -23.662
tors. eta vs tors. theta energy: -47.897
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: 4
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -552.145441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.145441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.145441 (E_RNA)
where:
Base-Base interactions energy: -403.519
where: short stacking energy: -159.262
Base-Backbone interact. energy: -0.314
local terms energy: -148.312368
where:
bonds (distance) C4'-P energy: -28.602
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -25.296
flat angles P-C4'-P energy: -23.169
tors. eta vs tors. theta energy: -47.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -552.616306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.616306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.616306 (E_RNA)
where:
Base-Base interactions energy: -400.470
where: short stacking energy: -159.210
Base-Backbone interact. energy: -0.335
local terms energy: -151.811603
where:
bonds (distance) C4'-P energy: -24.969
bonds (distance) P-C4' energy: -25.841
flat angles C4'-P-C4' energy: -29.940
flat angles P-C4'-P energy: -21.927
tors. eta vs tors. theta energy: -49.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -550.604510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.604510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.604510 (E_RNA)
where:
Base-Base interactions energy: -395.581
where: short stacking energy: -159.497
Base-Backbone interact. energy: 0.192
local terms energy: -155.215114
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -30.671
flat angles C4'-P-C4' energy: -32.886
flat angles P-C4'-P energy: -22.876
tors. eta vs tors. theta energy: -45.479
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: 352
Temperature: 1.100000
Total energy: -528.876088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.876088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.876088 (E_RNA)
where:
Base-Base interactions energy: -395.451
where: short stacking energy: -161.108
Base-Backbone interact. energy: -0.049
local terms energy: -133.375625
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -21.717
flat angles C4'-P-C4' energy: -30.674
flat angles P-C4'-P energy: -21.294
tors. eta vs tors. theta energy: -43.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -518.275964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.275964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.275964 (E_RNA)
where:
Base-Base interactions energy: -377.931
where: short stacking energy: -151.621
Base-Backbone interact. energy: -0.305
local terms energy: -140.040163
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -27.611
flat angles C4'-P-C4' energy: -30.176
flat angles P-C4'-P energy: -17.667
tors. eta vs tors. theta energy: -42.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -522.140428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.140428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.140428 (E_RNA)
where:
Base-Base interactions energy: -380.438
where: short stacking energy: -144.275
Base-Backbone interact. energy: -0.565
local terms energy: -141.137048
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -23.124
flat angles C4'-P-C4' energy: -29.759
flat angles P-C4'-P energy: -20.915
tors. eta vs tors. theta energy: -46.274
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: 3
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -513.450906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.450906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.450906 (E_RNA)
where:
Base-Base interactions energy: -379.292
where: short stacking energy: -149.976
Base-Backbone interact. energy: -0.987
local terms energy: -133.172269
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -29.732
flat angles P-C4'-P energy: -18.368
tors. eta vs tors. theta energy: -44.443
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: 352
Temperature: 1.300000
Total energy: -508.027540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.027540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.027540 (E_RNA)
where:
Base-Base interactions energy: -381.547
where: short stacking energy: -148.212
Base-Backbone interact. energy: 1.253
local terms energy: -127.733636
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -28.170
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -41.578
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: 352
Temperature: 1.350000
Total energy: -301.067881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.067881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.067881 (E_RNA)
where:
Base-Base interactions energy: -192.506
where: short stacking energy: -78.850
Base-Backbone interact. energy: -0.394
local terms energy: -108.167651
where:
bonds (distance) C4'-P energy: -22.490
bonds (distance) P-C4' energy: -25.726
flat angles C4'-P-C4' energy: -20.542
flat angles P-C4'-P energy: -17.888
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: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -562.698579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.698579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.698579 (E_RNA)
where:
Base-Base interactions energy: -403.155
where: short stacking energy: -153.949
Base-Backbone interact. energy: -0.389
local terms energy: -159.154907
where:
bonds (distance) C4'-P energy: -31.806
bonds (distance) P-C4' energy: -28.201
flat angles C4'-P-C4' energy: -30.002
flat angles P-C4'-P energy: -23.026
tors. eta vs tors. theta energy: -46.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -561.566345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.566345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.566345 (E_RNA)
where:
Base-Base interactions energy: -404.706
where: short stacking energy: -160.760
Base-Backbone interact. energy: -0.001
local terms energy: -156.859076
where:
bonds (distance) C4'-P energy: -31.325
bonds (distance) P-C4' energy: -25.585
flat angles C4'-P-C4' energy: -32.120
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: -47.335
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: 3, replica: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -551.126828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.126828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.126828 (E_RNA)
where:
Base-Base interactions energy: -405.206
where: short stacking energy: -156.350
Base-Backbone interact. energy: 0.672
local terms energy: -146.592192
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -29.048
flat angles C4'-P-C4' energy: -30.753
flat angles P-C4'-P energy: -21.914
tors. eta vs tors. theta energy: -47.730
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: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -546.154760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.154760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.154760 (E_RNA)
where:
Base-Base interactions energy: -398.405
where: short stacking energy: -154.765
Base-Backbone interact. energy: -1.290
local terms energy: -146.459928
where:
bonds (distance) C4'-P energy: -24.130
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -30.441
flat angles P-C4'-P energy: -22.625
tors. eta vs tors. theta energy: -46.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -547.309923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.309923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.309923 (E_RNA)
where:
Base-Base interactions energy: -394.446
where: short stacking energy: -154.255
Base-Backbone interact. energy: -1.368
local terms energy: -151.495923
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -27.581
flat angles C4'-P-C4' energy: -31.441
flat angles P-C4'-P energy: -20.478
tors. eta vs tors. theta energy: -47.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -529.427848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.427848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.427848 (E_RNA)
where:
Base-Base interactions energy: -375.379
where: short stacking energy: -147.192
Base-Backbone interact. energy: -0.623
local terms energy: -153.426419
where:
bonds (distance) C4'-P energy: -25.806
bonds (distance) P-C4' energy: -31.238
flat angles C4'-P-C4' energy: -29.863
flat angles P-C4'-P energy: -18.427
tors. eta vs tors. theta energy: -48.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -522.039688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.039688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.039688 (E_RNA)
where:
Base-Base interactions energy: -375.055
where: short stacking energy: -140.422
Base-Backbone interact. energy: -0.074
local terms energy: -146.910385
where:
bonds (distance) C4'-P energy: -27.823
bonds (distance) P-C4' energy: -25.082
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -20.551
tors. eta vs tors. theta energy: -44.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -519.567349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.567349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.567349 (E_RNA)
where:
Base-Base interactions energy: -381.463
where: short stacking energy: -149.193
Base-Backbone interact. energy: -0.999
local terms energy: -137.105347
where:
bonds (distance) C4'-P energy: -21.559
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -29.327
flat angles P-C4'-P energy: -20.021
tors. eta vs tors. theta energy: -43.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -502.900899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.900899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.900899 (E_RNA)
where:
Base-Base interactions energy: -362.751
where: short stacking energy: -136.094
Base-Backbone interact. energy: -0.122
local terms energy: -140.028393
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -27.458
flat angles C4'-P-C4' energy: -30.642
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -40.193
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: 2
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -293.344673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.344673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.344673 (E_RNA)
where:
Base-Base interactions energy: -193.505
where: short stacking energy: -82.536
Base-Backbone interact. energy: -1.183
local terms energy: -98.656803
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -24.275
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -14.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -567.544201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.544201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.544201 (E_RNA)
where:
Base-Base interactions energy: -411.222
where: short stacking energy: -164.059
Base-Backbone interact. energy: -0.303
local terms energy: -156.018700
where:
bonds (distance) C4'-P energy: -29.930
bonds (distance) P-C4' energy: -25.332
flat angles C4'-P-C4' energy: -30.524
flat angles P-C4'-P energy: -22.811
tors. eta vs tors. theta energy: -47.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -561.378894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.378894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.378894 (E_RNA)
where:
Base-Base interactions energy: -403.634
where: short stacking energy: -156.923
Base-Backbone interact. energy: -0.483
local terms energy: -157.261836
where:
bonds (distance) C4'-P energy: -28.693
bonds (distance) P-C4' energy: -23.270
flat angles C4'-P-C4' energy: -33.195
flat angles P-C4'-P energy: -24.984
tors. eta vs tors. theta energy: -47.120
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: 3, replica: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -546.322198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.322198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.322198 (E_RNA)
where:
Base-Base interactions energy: -396.010
where: short stacking energy: -154.508
Base-Backbone interact. energy: -1.713
local terms energy: -148.598913
where:
bonds (distance) C4'-P energy: -28.408
bonds (distance) P-C4' energy: -24.624
flat angles C4'-P-C4' energy: -31.017
flat angles P-C4'-P energy: -20.892
tors. eta vs tors. theta energy: -43.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -538.897780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.897780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.897780 (E_RNA)
where:
Base-Base interactions energy: -389.041
where: short stacking energy: -151.700
Base-Backbone interact. energy: -1.144
local terms energy: -148.712708
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -30.109
flat angles C4'-P-C4' energy: -29.702
flat angles P-C4'-P energy: -19.809
tors. eta vs tors. theta energy: -43.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -540.468315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.468315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.468315 (E_RNA)
where:
Base-Base interactions energy: -398.856
where: short stacking energy: -156.943
Base-Backbone interact. energy: -0.505
local terms energy: -141.107413
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -31.274
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -45.675
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: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -535.621727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.621727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.621727 (E_RNA)
where:
Base-Base interactions energy: -388.821
where: short stacking energy: -153.275
Base-Backbone interact. energy: -0.990
local terms energy: -145.810555
where:
bonds (distance) C4'-P energy: -31.528
bonds (distance) P-C4' energy: -24.404
flat angles C4'-P-C4' energy: -23.508
flat angles P-C4'-P energy: -19.110
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: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -533.742194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.742194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.742194 (E_RNA)
where:
Base-Base interactions energy: -388.043
where: short stacking energy: -152.717
Base-Backbone interact. energy: -0.789
local terms energy: -144.910061
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -27.264
flat angles C4'-P-C4' energy: -27.963
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -48.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -507.217980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.217980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.217980 (E_RNA)
where:
Base-Base interactions energy: -379.336
where: short stacking energy: -144.083
Base-Backbone interact. energy: -0.488
local terms energy: -127.394122
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -25.772
flat angles C4'-P-C4' energy: -23.393
flat angles P-C4'-P energy: -14.161
tors. eta vs tors. theta energy: -44.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -517.542484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.542484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.542484 (E_RNA)
where:
Base-Base interactions energy: -372.658
where: short stacking energy: -141.765
Base-Backbone interact. energy: -0.010
local terms energy: -144.874029
where:
bonds (distance) C4'-P energy: -24.653
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: -26.610
flat angles P-C4'-P energy: -23.352
tors. eta vs tors. theta energy: -48.151
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: 354
Temperature: 1.350000
Total energy: -313.629194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.629194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.629194 (E_RNA)
where:
Base-Base interactions energy: -206.954
where: short stacking energy: -87.289
Base-Backbone interact. energy: -0.256
local terms energy: -106.418920
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -23.098
flat angles P-C4'-P energy: -17.408
tors. eta vs tors. theta energy: -19.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -561.255163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.255163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.255163 (E_RNA)
where:
Base-Base interactions energy: -401.324
where: short stacking energy: -154.082
Base-Backbone interact. energy: -1.724
local terms energy: -158.206958
where:
bonds (distance) C4'-P energy: -24.023
bonds (distance) P-C4' energy: -30.075
flat angles C4'-P-C4' energy: -32.131
flat angles P-C4'-P energy: -24.802
tors. eta vs tors. theta energy: -47.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -558.275676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.275676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.275676 (E_RNA)
where:
Base-Base interactions energy: -405.020
where: short stacking energy: -162.798
Base-Backbone interact. energy: -0.001
local terms energy: -153.254708
where:
bonds (distance) C4'-P energy: -26.437
bonds (distance) P-C4' energy: -22.636
flat angles C4'-P-C4' energy: -33.083
flat angles P-C4'-P energy: -22.964
tors. eta vs tors. theta energy: -48.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -548.104478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.104478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.104478 (E_RNA)
where:
Base-Base interactions energy: -395.281
where: short stacking energy: -149.853
Base-Backbone interact. energy: -0.998
local terms energy: -151.825533
where:
bonds (distance) C4'-P energy: -24.084
bonds (distance) P-C4' energy: -22.945
flat angles C4'-P-C4' energy: -34.822
flat angles P-C4'-P energy: -24.968
tors. eta vs tors. theta energy: -45.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -534.100448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.100448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.100448 (E_RNA)
where:
Base-Base interactions energy: -388.464
where: short stacking energy: -149.783
Base-Backbone interact. energy: -1.018
local terms energy: -144.618378
where:
bonds (distance) C4'-P energy: -28.890
bonds (distance) P-C4' energy: -23.144
flat angles C4'-P-C4' energy: -25.818
flat angles P-C4'-P energy: -19.632
tors. eta vs tors. theta energy: -47.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -536.615220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.615220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.615220 (E_RNA)
where:
Base-Base interactions energy: -395.673
where: short stacking energy: -156.879
Base-Backbone interact. energy: -0.413
local terms energy: -140.528357
where:
bonds (distance) C4'-P energy: -23.390
bonds (distance) P-C4' energy: -22.699
flat angles C4'-P-C4' energy: -29.413
flat angles P-C4'-P energy: -19.252
tors. eta vs tors. theta energy: -45.775
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: 6, replica: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -529.267595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.267595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.267595 (E_RNA)
where:
Base-Base interactions energy: -381.456
where: short stacking energy: -146.684
Base-Backbone interact. energy: -0.002
local terms energy: -147.809894
where:
bonds (distance) C4'-P energy: -25.878
bonds (distance) P-C4' energy: -27.503
flat angles C4'-P-C4' energy: -26.332
flat angles P-C4'-P energy: -23.584
tors. eta vs tors. theta energy: -44.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -527.731747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.731747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.731747 (E_RNA)
where:
Base-Base interactions energy: -380.586
where: short stacking energy: -146.094
Base-Backbone interact. energy: -1.495
local terms energy: -145.650404
where:
bonds (distance) C4'-P energy: -25.537
bonds (distance) P-C4' energy: -30.107
flat angles C4'-P-C4' energy: -22.548
flat angles P-C4'-P energy: -22.663
tors. eta vs tors. theta energy: -44.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -518.349288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.349288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.349288 (E_RNA)
where:
Base-Base interactions energy: -385.055
where: short stacking energy: -150.091
Base-Backbone interact. energy: -1.627
local terms energy: -131.666610
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -23.377
flat angles C4'-P-C4' energy: -28.759
flat angles P-C4'-P energy: -18.381
tors. eta vs tors. theta energy: -43.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -504.736240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.736240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.736240 (E_RNA)
where:
Base-Base interactions energy: -367.632
where: short stacking energy: -141.710
Base-Backbone interact. energy: -0.743
local terms energy: -136.360989
where:
bonds (distance) C4'-P energy: -21.420
bonds (distance) P-C4' energy: -20.665
flat angles C4'-P-C4' energy: -27.803
flat angles P-C4'-P energy: -20.844
tors. eta vs tors. theta energy: -45.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -304.304460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.304460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.304460 (E_RNA)
where:
Base-Base interactions energy: -194.782
where: short stacking energy: -88.821
Base-Backbone interact. energy: 0.268
local terms energy: -109.789799
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -27.067
flat angles C4'-P-C4' energy: -27.775
flat angles P-C4'-P energy: -17.898
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: 1, replica: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -564.258443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.258443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.258443 (E_RNA)
where:
Base-Base interactions energy: -407.819
where: short stacking energy: -159.797
Base-Backbone interact. energy: -0.077
local terms energy: -156.361830
where:
bonds (distance) C4'-P energy: -32.978
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -30.069
flat angles P-C4'-P energy: -21.159
tors. eta vs tors. theta energy: -48.131
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: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -554.606512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.606512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.606512 (E_RNA)
where:
Base-Base interactions energy: -402.661
where: short stacking energy: -159.942
Base-Backbone interact. energy: -0.482
local terms energy: -151.463654
where:
bonds (distance) C4'-P energy: -27.083
bonds (distance) P-C4' energy: -28.083
flat angles C4'-P-C4' energy: -28.387
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -47.001
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: 3, replica: 6
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -544.022921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.022921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.022921 (E_RNA)
where:
Base-Base interactions energy: -396.048
where: short stacking energy: -153.271
Base-Backbone interact. energy: -0.081
local terms energy: -147.894662
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -28.159
flat angles P-C4'-P energy: -25.060
tors. eta vs tors. theta energy: -46.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -544.388649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.388649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.388649 (E_RNA)
where:
Base-Base interactions energy: -395.387
where: short stacking energy: -152.956
Base-Backbone interact. energy: -0.419
local terms energy: -148.582101
where:
bonds (distance) C4'-P energy: -23.777
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -31.566
flat angles P-C4'-P energy: -21.010
tors. eta vs tors. theta energy: -48.228
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: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -534.715860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.715860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.715860 (E_RNA)
where:
Base-Base interactions energy: -390.168
where: short stacking energy: -154.578
Base-Backbone interact. energy: -0.306
local terms energy: -144.241771
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -26.958
flat angles C4'-P-C4' energy: -27.086
flat angles P-C4'-P energy: -20.669
tors. eta vs tors. theta energy: -47.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -520.859169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.859169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.859169 (E_RNA)
where:
Base-Base interactions energy: -377.627
where: short stacking energy: -151.377
Base-Backbone interact. energy: 0.163
local terms energy: -143.395439
where:
bonds (distance) C4'-P energy: -21.140
bonds (distance) P-C4' energy: -29.938
flat angles C4'-P-C4' energy: -23.874
flat angles P-C4'-P energy: -22.094
tors. eta vs tors. theta energy: -46.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -508.702416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.702416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.702416 (E_RNA)
where:
Base-Base interactions energy: -366.742
where: short stacking energy: -145.504
Base-Backbone interact. energy: -0.020
local terms energy: -141.941030
where:
bonds (distance) C4'-P energy: -25.073
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -32.143
flat angles P-C4'-P energy: -21.216
tors. eta vs tors. theta energy: -41.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -512.537758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.537758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.537758 (E_RNA)
where:
Base-Base interactions energy: -372.309
where: short stacking energy: -147.065
Base-Backbone interact. energy: -0.386
local terms energy: -139.843541
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -24.245
flat angles C4'-P-C4' energy: -31.782
flat angles P-C4'-P energy: -21.310
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: 9, replica: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -514.383618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.383618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.383618 (E_RNA)
where:
Base-Base interactions energy: -372.873
where: short stacking energy: -146.444
Base-Backbone interact. energy: -1.135
local terms energy: -140.376326
where:
bonds (distance) C4'-P energy: -18.586
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -32.122
flat angles P-C4'-P energy: -21.775
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: 10, replica: 2
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -298.289841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.289841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.289841 (E_RNA)
where:
Base-Base interactions energy: -193.203
where: short stacking energy: -78.096
Base-Backbone interact. energy: -0.477
local terms energy: -104.610014
where:
bonds (distance) C4'-P energy: -24.624
bonds (distance) P-C4' energy: -22.896
flat angles C4'-P-C4' energy: -23.844
flat angles P-C4'-P energy: -18.222
tors. eta vs tors. theta energy: -15.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -565.448969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.448969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.448969 (E_RNA)
where:
Base-Base interactions energy: -404.226
where: short stacking energy: -158.705
Base-Backbone interact. energy: -0.162
local terms energy: -161.060981
where:
bonds (distance) C4'-P energy: -26.175
bonds (distance) P-C4' energy: -30.807
flat angles C4'-P-C4' energy: -30.447
flat angles P-C4'-P energy: -24.632
tors. eta vs tors. theta energy: -49.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -558.776795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.776795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.776795 (E_RNA)
where:
Base-Base interactions energy: -403.059
where: short stacking energy: -156.687
Base-Backbone interact. energy: -1.610
local terms energy: -154.107620
where:
bonds (distance) C4'-P energy: -23.390
bonds (distance) P-C4' energy: -29.836
flat angles C4'-P-C4' energy: -31.182
flat angles P-C4'-P energy: -22.943
tors. eta vs tors. theta energy: -46.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -542.552170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.552170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.552170 (E_RNA)
where:
Base-Base interactions energy: -397.549
where: short stacking energy: -154.161
Base-Backbone interact. energy: -0.002
local terms energy: -145.001938
where:
bonds (distance) C4'-P energy: -28.817
bonds (distance) P-C4' energy: -21.724
flat angles C4'-P-C4' energy: -27.922
flat angles P-C4'-P energy: -19.947
tors. eta vs tors. theta energy: -46.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -539.816000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.816000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.816000 (E_RNA)
where:
Base-Base interactions energy: -398.619
where: short stacking energy: -152.475
Base-Backbone interact. energy: -0.750
local terms energy: -140.447215
where:
bonds (distance) C4'-P energy: -24.338
bonds (distance) P-C4' energy: -22.145
flat angles C4'-P-C4' energy: -30.125
flat angles P-C4'-P energy: -18.894
tors. eta vs tors. theta energy: -44.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -535.009423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.009423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.009423 (E_RNA)
where:
Base-Base interactions energy: -387.569
where: short stacking energy: -151.276
Base-Backbone interact. energy: -0.971
local terms energy: -146.470001
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -28.375
flat angles C4'-P-C4' energy: -31.892
flat angles P-C4'-P energy: -22.312
tors. eta vs tors. theta energy: -42.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -516.521717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.521717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.521717 (E_RNA)
where:
Base-Base interactions energy: -375.997
where: short stacking energy: -147.259
Base-Backbone interact. energy: -0.374
local terms energy: -140.150764
where:
bonds (distance) C4'-P energy: -27.459
bonds (distance) P-C4' energy: -28.030
flat angles C4'-P-C4' energy: -27.142
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -40.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -512.852707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.852707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.852707 (E_RNA)
where:
Base-Base interactions energy: -366.940
where: short stacking energy: -134.206
Base-Backbone interact. energy: -0.444
local terms energy: -145.468891
where:
bonds (distance) C4'-P energy: -26.387
bonds (distance) P-C4' energy: -25.803
flat angles C4'-P-C4' energy: -30.030
flat angles P-C4'-P energy: -21.935
tors. eta vs tors. theta energy: -41.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -520.527208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.527208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.527208 (E_RNA)
where:
Base-Base interactions energy: -385.141
where: short stacking energy: -153.808
Base-Backbone interact. energy: -0.001
local terms energy: -135.385823
where:
bonds (distance) C4'-P energy: -27.111
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -17.888
tors. eta vs tors. theta energy: -45.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -501.238029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.238029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.238029 (E_RNA)
where:
Base-Base interactions energy: -366.921
where: short stacking energy: -139.931
Base-Backbone interact. energy: -0.086
local terms energy: -134.230839
where:
bonds (distance) C4'-P energy: -24.330
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -27.307
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -44.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -286.627876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.627876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.627876 (E_RNA)
where:
Base-Base interactions energy: -186.584
where: short stacking energy: -86.459
Base-Backbone interact. energy: -0.980
local terms energy: -99.064278
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -24.937
flat angles C4'-P-C4' energy: -25.196
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -16.874
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: 8
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -574.367800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.367800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.367800 (E_RNA)
where:
Base-Base interactions energy: -409.708
where: short stacking energy: -156.785
Base-Backbone interact. energy: -0.584
local terms energy: -164.075531
where:
bonds (distance) C4'-P energy: -30.575
bonds (distance) P-C4' energy: -28.623
flat angles C4'-P-C4' energy: -32.148
flat angles P-C4'-P energy: -23.815
tors. eta vs tors. theta energy: -48.914
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: 358
Temperature: 0.950000
Total energy: -552.319747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.319747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.319747 (E_RNA)
where:
Base-Base interactions energy: -397.405
where: short stacking energy: -155.652
Base-Backbone interact. energy: -1.491
local terms energy: -153.423351
where:
bonds (distance) C4'-P energy: -26.619
bonds (distance) P-C4' energy: -24.180
flat angles C4'-P-C4' energy: -32.423
flat angles P-C4'-P energy: -22.060
tors. eta vs tors. theta energy: -48.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -553.547801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.547801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.547801 (E_RNA)
where:
Base-Base interactions energy: -404.124
where: short stacking energy: -158.892
Base-Backbone interact. energy: -0.280
local terms energy: -149.143926
where:
bonds (distance) C4'-P energy: -25.206
bonds (distance) P-C4' energy: -27.198
flat angles C4'-P-C4' energy: -26.617
flat angles P-C4'-P energy: -23.595
tors. eta vs tors. theta energy: -46.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -537.658531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.658531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.658531 (E_RNA)
where:
Base-Base interactions energy: -387.558
where: short stacking energy: -147.940
Base-Backbone interact. energy: -0.061
local terms energy: -150.039642
where:
bonds (distance) C4'-P energy: -23.921
bonds (distance) P-C4' energy: -22.991
flat angles C4'-P-C4' energy: -32.758
flat angles P-C4'-P energy: -24.867
tors. eta vs tors. theta energy: -45.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -529.937203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.937203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.937203 (E_RNA)
where:
Base-Base interactions energy: -386.897
where: short stacking energy: -152.217
Base-Backbone interact. energy: -1.984
local terms energy: -141.056233
where:
bonds (distance) C4'-P energy: -22.784
bonds (distance) P-C4' energy: -23.361
flat angles C4'-P-C4' energy: -24.652
flat angles P-C4'-P energy: -22.491
tors. eta vs tors. theta energy: -47.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -532.337894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.337894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.337894 (E_RNA)
where:
Base-Base interactions energy: -385.013
where: short stacking energy: -151.614
Base-Backbone interact. energy: -0.754
local terms energy: -146.571771
where:
bonds (distance) C4'-P energy: -25.477
bonds (distance) P-C4' energy: -26.262
flat angles C4'-P-C4' energy: -29.357
flat angles P-C4'-P energy: -20.401
tors. eta vs tors. theta energy: -45.075
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: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -513.837427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.837427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.837427 (E_RNA)
where:
Base-Base interactions energy: -382.986
where: short stacking energy: -141.229
Base-Backbone interact. energy: -0.843
local terms energy: -130.008238
where:
bonds (distance) C4'-P energy: -22.753
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -22.943
flat angles P-C4'-P energy: -21.761
tors. eta vs tors. theta energy: -43.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -527.504115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.504115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.504115 (E_RNA)
where:
Base-Base interactions energy: -382.330
where: short stacking energy: -151.947
Base-Backbone interact. energy: -0.624
local terms energy: -144.550148
where:
bonds (distance) C4'-P energy: -25.154
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -26.963
flat angles P-C4'-P energy: -21.310
tors. eta vs tors. theta energy: -46.303
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: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -501.537886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.537886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.537886 (E_RNA)
where:
Base-Base interactions energy: -361.913
where: short stacking energy: -147.507
Base-Backbone interact. energy: -0.757
local terms energy: -138.867958
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -21.868
flat angles C4'-P-C4' energy: -28.824
flat angles P-C4'-P energy: -21.157
tors. eta vs tors. theta energy: -46.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -290.060130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.060130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.060130 (E_RNA)
where:
Base-Base interactions energy: -182.993
where: short stacking energy: -76.632
Base-Backbone interact. energy: -0.214
local terms energy: -106.852673
where:
bonds (distance) C4'-P energy: -27.938
bonds (distance) P-C4' energy: -28.996
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -11.270
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: 1, replica: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -557.952117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.952117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.952117 (E_RNA)
where:
Base-Base interactions energy: -400.904
where: short stacking energy: -155.884
Base-Backbone interact. energy: -1.153
local terms energy: -155.894867
where:
bonds (distance) C4'-P energy: -27.183
bonds (distance) P-C4' energy: -24.966
flat angles C4'-P-C4' energy: -29.373
flat angles P-C4'-P energy: -27.484
tors. eta vs tors. theta energy: -46.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -561.452401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.452401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.452401 (E_RNA)
where:
Base-Base interactions energy: -404.855
where: short stacking energy: -159.698
Base-Backbone interact. energy: -0.209
local terms energy: -156.388246
where:
bonds (distance) C4'-P energy: -30.321
bonds (distance) P-C4' energy: -24.848
flat angles C4'-P-C4' energy: -30.882
flat angles P-C4'-P energy: -22.230
tors. eta vs tors. theta energy: -48.107
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: 6
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -551.430498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.430498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.430498 (E_RNA)
where:
Base-Base interactions energy: -393.942
where: short stacking energy: -153.678
Base-Backbone interact. energy: -0.233
local terms energy: -157.256118
where:
bonds (distance) C4'-P energy: -28.138
bonds (distance) P-C4' energy: -31.901
flat angles C4'-P-C4' energy: -31.932
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: -46.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -541.303707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.303707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.303707 (E_RNA)
where:
Base-Base interactions energy: -396.386
where: short stacking energy: -152.405
Base-Backbone interact. energy: 0.766
local terms energy: -145.684071
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -27.906
flat angles C4'-P-C4' energy: -30.292
flat angles P-C4'-P energy: -19.180
tors. eta vs tors. theta energy: -44.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -540.138229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.138229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.138229 (E_RNA)
where:
Base-Base interactions energy: -392.994
where: short stacking energy: -150.800
Base-Backbone interact. energy: -0.554
local terms energy: -146.590208
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -29.955
flat angles C4'-P-C4' energy: -27.270
flat angles P-C4'-P energy: -19.121
tors. eta vs tors. theta energy: -48.096
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: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -530.798858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.798858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.798858 (E_RNA)
where:
Base-Base interactions energy: -385.949
where: short stacking energy: -150.113
Base-Backbone interact. energy: -0.324
local terms energy: -144.526077
where:
bonds (distance) C4'-P energy: -23.086
bonds (distance) P-C4' energy: -24.080
flat angles C4'-P-C4' energy: -28.076
flat angles P-C4'-P energy: -22.136
tors. eta vs tors. theta energy: -47.148
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: 5
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -542.335856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.335856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.335856 (E_RNA)
where:
Base-Base interactions energy: -386.500
where: short stacking energy: -151.006
Base-Backbone interact. energy: -0.204
local terms energy: -155.631851
where:
bonds (distance) C4'-P energy: -26.399
bonds (distance) P-C4' energy: -28.878
flat angles C4'-P-C4' energy: -29.710
flat angles P-C4'-P energy: -23.660
tors. eta vs tors. theta energy: -46.985
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: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -507.864695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.864695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.864695 (E_RNA)
where:
Base-Base interactions energy: -374.767
where: short stacking energy: -152.554
Base-Backbone interact. energy: -0.005
local terms energy: -133.092756
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -26.043
flat angles C4'-P-C4' energy: -28.816
flat angles P-C4'-P energy: -19.423
tors. eta vs tors. theta energy: -44.208
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: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -498.584365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.584365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.584365 (E_RNA)
where:
Base-Base interactions energy: -377.344
where: short stacking energy: -149.830
Base-Backbone interact. energy: -0.296
local terms energy: -120.943822
where:
bonds (distance) C4'-P energy: -21.346
bonds (distance) P-C4' energy: -8.251
flat angles C4'-P-C4' energy: -27.021
flat angles P-C4'-P energy: -22.432
tors. eta vs tors. theta energy: -41.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -315.946014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.946014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.946014 (E_RNA)
where:
Base-Base interactions energy: -200.948
where: short stacking energy: -91.959
Base-Backbone interact. energy: -1.031
local terms energy: -113.967696
where:
bonds (distance) C4'-P energy: -26.701
bonds (distance) P-C4' energy: -29.356
flat angles C4'-P-C4' energy: -26.214
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -21.648
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: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -557.591623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.591623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.591623 (E_RNA)
where:
Base-Base interactions energy: -410.050
where: short stacking energy: -161.501
Base-Backbone interact. energy: -0.158
local terms energy: -147.383896
where:
bonds (distance) C4'-P energy: -25.488
bonds (distance) P-C4' energy: -25.170
flat angles C4'-P-C4' energy: -28.166
flat angles P-C4'-P energy: -21.622
tors. eta vs tors. theta energy: -46.939
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: 360
Temperature: 0.950000
Total energy: -550.334390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.334390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.334390 (E_RNA)
where:
Base-Base interactions energy: -395.420
where: short stacking energy: -154.021
Base-Backbone interact. energy: -0.945
local terms energy: -153.969631
where:
bonds (distance) C4'-P energy: -26.232
bonds (distance) P-C4' energy: -29.032
flat angles C4'-P-C4' energy: -28.586
flat angles P-C4'-P energy: -24.107
tors. eta vs tors. theta energy: -46.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -541.772559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.772559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.772559 (E_RNA)
where:
Base-Base interactions energy: -389.953
where: short stacking energy: -148.285
Base-Backbone interact. energy: -1.642
local terms energy: -150.178056
where:
bonds (distance) C4'-P energy: -26.477
bonds (distance) P-C4' energy: -25.115
flat angles C4'-P-C4' energy: -29.151
flat angles P-C4'-P energy: -21.556
tors. eta vs tors. theta energy: -47.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -539.986330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.986330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.986330 (E_RNA)
where:
Base-Base interactions energy: -394.924
where: short stacking energy: -161.152
Base-Backbone interact. energy: -0.003
local terms energy: -145.058780
where:
bonds (distance) C4'-P energy: -18.722
bonds (distance) P-C4' energy: -26.838
flat angles C4'-P-C4' energy: -29.688
flat angles P-C4'-P energy: -22.723
tors. eta vs tors. theta energy: -47.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -542.034244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.034244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.034244 (E_RNA)
where:
Base-Base interactions energy: -393.295
where: short stacking energy: -155.655
Base-Backbone interact. energy: -0.022
local terms energy: -148.717553
where:
bonds (distance) C4'-P energy: -22.593
bonds (distance) P-C4' energy: -27.089
flat angles C4'-P-C4' energy: -30.297
flat angles P-C4'-P energy: -24.322
tors. eta vs tors. theta energy: -44.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -524.409689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.409689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.409689 (E_RNA)
where:
Base-Base interactions energy: -382.079
where: short stacking energy: -151.103
Base-Backbone interact. energy: -0.244
local terms energy: -142.086461
where:
bonds (distance) C4'-P energy: -28.610
bonds (distance) P-C4' energy: -22.957
flat angles C4'-P-C4' energy: -27.526
flat angles P-C4'-P energy: -18.279
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: 7, replica: 5
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -517.287583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.287583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.287583 (E_RNA)
where:
Base-Base interactions energy: -376.538
where: short stacking energy: -148.215
Base-Backbone interact. energy: -0.588
local terms energy: -140.160774
where:
bonds (distance) C4'-P energy: -22.381
bonds (distance) P-C4' energy: -25.463
flat angles C4'-P-C4' energy: -28.551
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -48.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -517.951387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.951387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.951387 (E_RNA)
where:
Base-Base interactions energy: -376.572
where: short stacking energy: -149.268
Base-Backbone interact. energy: -0.614
local terms energy: -140.765321
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -28.676
flat angles C4'-P-C4' energy: -28.651
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -44.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -502.761622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.761622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.761622 (E_RNA)
where:
Base-Base interactions energy: -369.935
where: short stacking energy: -145.921
Base-Backbone interact. energy: -0.822
local terms energy: -132.004601
where:
bonds (distance) C4'-P energy: -20.836
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -30.206
flat angles P-C4'-P energy: -18.689
tors. eta vs tors. theta energy: -44.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -308.049660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.049660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.049660 (E_RNA)
where:
Base-Base interactions energy: -202.679
where: short stacking energy: -87.132
Base-Backbone interact. energy: -0.622
local terms energy: -104.748784
where:
bonds (distance) C4'-P energy: -19.947
bonds (distance) P-C4' energy: -25.363
flat angles C4'-P-C4' energy: -24.187
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -23.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -562.033358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.033358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.033358 (E_RNA)
where:
Base-Base interactions energy: -407.882
where: short stacking energy: -159.902
Base-Backbone interact. energy: -0.539
local terms energy: -153.612695
where:
bonds (distance) C4'-P energy: -27.314
bonds (distance) P-C4' energy: -27.162
flat angles C4'-P-C4' energy: -31.762
flat angles P-C4'-P energy: -18.947
tors. eta vs tors. theta energy: -48.428
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: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -544.398730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.398730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.398730 (E_RNA)
where:
Base-Base interactions energy: -397.942
where: short stacking energy: -154.853
Base-Backbone interact. energy: -1.577
local terms energy: -144.879593
where:
bonds (distance) C4'-P energy: -23.854
bonds (distance) P-C4' energy: -22.356
flat angles C4'-P-C4' energy: -29.010
flat angles P-C4'-P energy: -25.343
tors. eta vs tors. theta energy: -44.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -548.602527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.602527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.602527 (E_RNA)
where:
Base-Base interactions energy: -393.194
where: short stacking energy: -154.823
Base-Backbone interact. energy: -1.609
local terms energy: -153.799300
where:
bonds (distance) C4'-P energy: -22.553
bonds (distance) P-C4' energy: -30.615
flat angles C4'-P-C4' energy: -28.770
flat angles P-C4'-P energy: -24.883
tors. eta vs tors. theta energy: -46.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -544.848462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.848462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.848462 (E_RNA)
where:
Base-Base interactions energy: -395.525
where: short stacking energy: -156.371
Base-Backbone interact. energy: -1.340
local terms energy: -147.983306
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -24.752
flat angles C4'-P-C4' energy: -35.586
flat angles P-C4'-P energy: -21.976
tors. eta vs tors. theta energy: -47.217
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: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -534.166200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.166200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.166200 (E_RNA)
where:
Base-Base interactions energy: -385.856
where: short stacking energy: -152.981
Base-Backbone interact. energy: -1.494
local terms energy: -146.816739
where:
bonds (distance) C4'-P energy: -28.490
bonds (distance) P-C4' energy: -23.122
flat angles C4'-P-C4' energy: -28.465
flat angles P-C4'-P energy: -22.401
tors. eta vs tors. theta energy: -44.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -534.223475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.223475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.223475 (E_RNA)
where:
Base-Base interactions energy: -393.428
where: short stacking energy: -153.138
Base-Backbone interact. energy: -1.150
local terms energy: -139.645232
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -31.151
flat angles P-C4'-P energy: -22.274
tors. eta vs tors. theta energy: -45.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -513.855174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.855174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.855174 (E_RNA)
where:
Base-Base interactions energy: -371.096
where: short stacking energy: -141.914
Base-Backbone interact. energy: -0.813
local terms energy: -141.947008
where:
bonds (distance) C4'-P energy: -21.142
bonds (distance) P-C4' energy: -28.719
flat angles C4'-P-C4' energy: -28.028
flat angles P-C4'-P energy: -19.153
tors. eta vs tors. theta energy: -44.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -519.874128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.874128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.874128 (E_RNA)
where:
Base-Base interactions energy: -374.164
where: short stacking energy: -147.320
Base-Backbone interact. energy: -0.004
local terms energy: -145.706908
where:
bonds (distance) C4'-P energy: -29.250
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -27.973
flat angles P-C4'-P energy: -22.533
tors. eta vs tors. theta energy: -44.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -506.417447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.417447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.417447 (E_RNA)
where:
Base-Base interactions energy: -377.526
where: short stacking energy: -144.195
Base-Backbone interact. energy: -0.625
local terms energy: -128.265866
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -30.198
flat angles P-C4'-P energy: -18.517
tors. eta vs tors. theta energy: -44.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -289.322116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.322116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.322116 (E_RNA)
where:
Base-Base interactions energy: -186.401
where: short stacking energy: -83.365
Base-Backbone interact. energy: -0.470
local terms energy: -102.451331
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -21.392
flat angles C4'-P-C4' energy: -27.066
flat angles P-C4'-P energy: -18.295
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: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -571.039267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.039267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.039267 (E_RNA)
where:
Base-Base interactions energy: -417.369
where: short stacking energy: -164.957
Base-Backbone interact. energy: -1.321
local terms energy: -152.349320
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -25.061
flat angles C4'-P-C4' energy: -31.534
flat angles P-C4'-P energy: -22.504
tors. eta vs tors. theta energy: -46.434
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: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -552.529605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.529605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.529605 (E_RNA)
where:
Base-Base interactions energy: -410.027
where: short stacking energy: -158.622
Base-Backbone interact. energy: -1.168
local terms energy: -141.334677
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -22.304
flat angles C4'-P-C4' energy: -30.072
flat angles P-C4'-P energy: -20.584
tors. eta vs tors. theta energy: -45.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -547.505150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.505150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.505150 (E_RNA)
where:
Base-Base interactions energy: -400.569
where: short stacking energy: -161.554
Base-Backbone interact. energy: -0.135
local terms energy: -146.800993
where:
bonds (distance) C4'-P energy: -23.370
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -32.966
flat angles P-C4'-P energy: -20.833
tors. eta vs tors. theta energy: -45.045
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: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -553.954279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.954279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.954279 (E_RNA)
where:
Base-Base interactions energy: -399.686
where: short stacking energy: -156.451
Base-Backbone interact. energy: -0.044
local terms energy: -154.224596
where:
bonds (distance) C4'-P energy: -24.917
bonds (distance) P-C4' energy: -26.830
flat angles C4'-P-C4' energy: -31.771
flat angles P-C4'-P energy: -23.861
tors. eta vs tors. theta energy: -46.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -541.320674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.320674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.320674 (E_RNA)
where:
Base-Base interactions energy: -399.943
where: short stacking energy: -158.203
Base-Backbone interact. energy: 0.330
local terms energy: -141.707151
where:
bonds (distance) C4'-P energy: -22.656
bonds (distance) P-C4' energy: -25.884
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -23.658
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: 6, replica: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -522.503530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.503530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.503530 (E_RNA)
where:
Base-Base interactions energy: -387.744
where: short stacking energy: -147.835
Base-Backbone interact. energy: -0.008
local terms energy: -134.752220
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -19.429
flat angles C4'-P-C4' energy: -31.212
flat angles P-C4'-P energy: -16.945
tors. eta vs tors. theta energy: -48.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -528.062898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.062898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.062898 (E_RNA)
where:
Base-Base interactions energy: -383.674
where: short stacking energy: -146.663
Base-Backbone interact. energy: -1.028
local terms energy: -143.361561
where:
bonds (distance) C4'-P energy: -21.389
bonds (distance) P-C4' energy: -30.023
flat angles C4'-P-C4' energy: -28.820
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -44.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -518.060545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.060545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.060545 (E_RNA)
where:
Base-Base interactions energy: -378.361
where: short stacking energy: -141.453
Base-Backbone interact. energy: -1.743
local terms energy: -137.956282
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -25.736
flat angles C4'-P-C4' energy: -25.972
flat angles P-C4'-P energy: -21.606
tors. eta vs tors. theta energy: -43.973
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: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -512.665528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.665528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.665528 (E_RNA)
where:
Base-Base interactions energy: -378.568
where: short stacking energy: -143.528
Base-Backbone interact. energy: -0.038
local terms energy: -134.059508
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -27.486
flat angles P-C4'-P energy: -22.370
tors. eta vs tors. theta energy: -44.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -288.498029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.498029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.498029 (E_RNA)
where:
Base-Base interactions energy: -194.041
where: short stacking energy: -84.845
Base-Backbone interact. energy: -0.912
local terms energy: -93.545821
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -24.696
flat angles C4'-P-C4' energy: -24.262
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -15.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -561.644901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.644901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.644901 (E_RNA)
where:
Base-Base interactions energy: -403.517
where: short stacking energy: -157.803
Base-Backbone interact. energy: -1.170
local terms energy: -156.958434
where:
bonds (distance) C4'-P energy: -27.662
bonds (distance) P-C4' energy: -28.674
flat angles C4'-P-C4' energy: -32.237
flat angles P-C4'-P energy: -20.637
tors. eta vs tors. theta energy: -47.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -556.779654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.779654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.779654 (E_RNA)
where:
Base-Base interactions energy: -408.534
where: short stacking energy: -160.803
Base-Backbone interact. energy: 0.226
local terms energy: -148.471960
where:
bonds (distance) C4'-P energy: -24.080
bonds (distance) P-C4' energy: -28.859
flat angles C4'-P-C4' energy: -26.318
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -47.618
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: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -543.244543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.244543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.244543 (E_RNA)
where:
Base-Base interactions energy: -395.555
where: short stacking energy: -156.089
Base-Backbone interact. energy: -1.369
local terms energy: -146.320820
where:
bonds (distance) C4'-P energy: -25.414
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -32.886
flat angles P-C4'-P energy: -22.675
tors. eta vs tors. theta energy: -43.617
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: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -540.845445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.845445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.845445 (E_RNA)
where:
Base-Base interactions energy: -396.978
where: short stacking energy: -158.322
Base-Backbone interact. energy: -0.281
local terms energy: -143.586421
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -31.181
flat angles C4'-P-C4' energy: -24.404
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: -45.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -529.203190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.203190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.203190 (E_RNA)
where:
Base-Base interactions energy: -379.906
where: short stacking energy: -145.218
Base-Backbone interact. energy: -0.059
local terms energy: -149.238505
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -29.069
flat angles C4'-P-C4' energy: -30.825
flat angles P-C4'-P energy: -21.916
tors. eta vs tors. theta energy: -44.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -525.449037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.449037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.449037 (E_RNA)
where:
Base-Base interactions energy: -380.648
where: short stacking energy: -146.699
Base-Backbone interact. energy: 0.192
local terms energy: -144.992559
where:
bonds (distance) C4'-P energy: -22.398
bonds (distance) P-C4' energy: -29.177
flat angles C4'-P-C4' energy: -30.421
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -43.914
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: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -520.643220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.643220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.643220 (E_RNA)
where:
Base-Base interactions energy: -372.285
where: short stacking energy: -142.943
Base-Backbone interact. energy: -0.988
local terms energy: -147.370504
where:
bonds (distance) C4'-P energy: -26.694
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -27.071
flat angles P-C4'-P energy: -22.289
tors. eta vs tors. theta energy: -47.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -524.488578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.488578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.488578 (E_RNA)
where:
Base-Base interactions energy: -383.373
where: short stacking energy: -149.329
Base-Backbone interact. energy: -0.846
local terms energy: -140.268946
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -30.321
flat angles P-C4'-P energy: -21.881
tors. eta vs tors. theta energy: -45.205
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: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -504.786391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.786391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.786391 (E_RNA)
where:
Base-Base interactions energy: -368.187
where: short stacking energy: -148.363
Base-Backbone interact. energy: -0.484
local terms energy: -136.115365
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -25.696
flat angles C4'-P-C4' energy: -26.109
flat angles P-C4'-P energy: -19.665
tors. eta vs tors. theta energy: -47.942
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: 2
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -271.825733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.825733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.825733 (E_RNA)
where:
Base-Base interactions energy: -165.824
where: short stacking energy: -73.616
Base-Backbone interact. energy: 0.108
local terms energy: -106.110073
where:
bonds (distance) C4'-P energy: -29.439
bonds (distance) P-C4' energy: -25.355
flat angles C4'-P-C4' energy: -24.155
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -570.986518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.986518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.986518 (E_RNA)
where:
Base-Base interactions energy: -409.777
where: short stacking energy: -158.174
Base-Backbone interact. energy: -1.224
local terms energy: -159.986036
where:
bonds (distance) C4'-P energy: -28.175
bonds (distance) P-C4' energy: -31.067
flat angles C4'-P-C4' energy: -29.850
flat angles P-C4'-P energy: -24.792
tors. eta vs tors. theta energy: -46.101
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: 9
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -548.318244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.318244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.318244 (E_RNA)
where:
Base-Base interactions energy: -392.975
where: short stacking energy: -157.036
Base-Backbone interact. energy: -0.805
local terms energy: -154.537494
where:
bonds (distance) C4'-P energy: -24.675
bonds (distance) P-C4' energy: -27.689
flat angles C4'-P-C4' energy: -31.938
flat angles P-C4'-P energy: -23.392
tors. eta vs tors. theta energy: -46.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -551.819380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.819380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.819380 (E_RNA)
where:
Base-Base interactions energy: -388.473
where: short stacking energy: -154.276
Base-Backbone interact. energy: -0.515
local terms energy: -162.831987
where:
bonds (distance) C4'-P energy: -27.087
bonds (distance) P-C4' energy: -31.585
flat angles C4'-P-C4' energy: -33.491
flat angles P-C4'-P energy: -24.227
tors. eta vs tors. theta energy: -46.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -548.638559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.638559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.638559 (E_RNA)
where:
Base-Base interactions energy: -396.339
where: short stacking energy: -152.817
Base-Backbone interact. energy: -0.448
local terms energy: -151.851020
where:
bonds (distance) C4'-P energy: -32.771
bonds (distance) P-C4' energy: -30.164
flat angles C4'-P-C4' energy: -24.908
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -45.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -539.660296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.660296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.660296 (E_RNA)
where:
Base-Base interactions energy: -388.401
where: short stacking energy: -150.761
Base-Backbone interact. energy: -0.114
local terms energy: -151.145414
where:
bonds (distance) C4'-P energy: -26.820
bonds (distance) P-C4' energy: -25.569
flat angles C4'-P-C4' energy: -31.142
flat angles P-C4'-P energy: -21.820
tors. eta vs tors. theta energy: -45.793
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: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -527.574816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.574816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.574816 (E_RNA)
where:
Base-Base interactions energy: -375.606
where: short stacking energy: -138.816
Base-Backbone interact. energy: -0.013
local terms energy: -151.955284
where:
bonds (distance) C4'-P energy: -30.999
bonds (distance) P-C4' energy: -27.268
flat angles C4'-P-C4' energy: -30.247
flat angles P-C4'-P energy: -20.711
tors. eta vs tors. theta energy: -42.731
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: 7, replica: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -513.884054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.884054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.884054 (E_RNA)
where:
Base-Base interactions energy: -376.472
where: short stacking energy: -141.504
Base-Backbone interact. energy: -0.689
local terms energy: -136.722967
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -28.451
flat angles C4'-P-C4' energy: -31.481
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -44.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -519.848680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.848680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.848680 (E_RNA)
where:
Base-Base interactions energy: -368.334
where: short stacking energy: -149.885
Base-Backbone interact. energy: -0.394
local terms energy: -151.120709
where:
bonds (distance) C4'-P energy: -26.369
bonds (distance) P-C4' energy: -29.886
flat angles C4'-P-C4' energy: -28.864
flat angles P-C4'-P energy: -19.856
tors. eta vs tors. theta energy: -46.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -489.820668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.820668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.820668 (E_RNA)
where:
Base-Base interactions energy: -361.056
where: short stacking energy: -147.677
Base-Backbone interact. energy: -0.501
local terms energy: -128.263475
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -20.967
flat angles C4'-P-C4' energy: -28.122
flat angles P-C4'-P energy: -19.445
tors. eta vs tors. theta energy: -44.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -295.645395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.645395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.645395 (E_RNA)
where:
Base-Base interactions energy: -200.917
where: short stacking energy: -85.603
Base-Backbone interact. energy: -0.881
local terms energy: -93.847700
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -24.878
flat angles C4'-P-C4' energy: -29.928
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -558.886048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.886048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.886048 (E_RNA)
where:
Base-Base interactions energy: -401.923
where: short stacking energy: -157.638
Base-Backbone interact. energy: -0.630
local terms energy: -156.332681
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -31.030
flat angles C4'-P-C4' energy: -32.579
flat angles P-C4'-P energy: -23.057
tors. eta vs tors. theta energy: -47.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -555.572695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.572695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.572695 (E_RNA)
where:
Base-Base interactions energy: -407.843
where: short stacking energy: -162.137
Base-Backbone interact. energy: -0.582
local terms energy: -147.147701
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -30.830
flat angles P-C4'-P energy: -22.000
tors. eta vs tors. theta energy: -47.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -544.467797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.467797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.467797 (E_RNA)
where:
Base-Base interactions energy: -391.992
where: short stacking energy: -158.767
Base-Backbone interact. energy: -0.056
local terms energy: -152.419905
where:
bonds (distance) C4'-P energy: -28.487
bonds (distance) P-C4' energy: -28.167
flat angles C4'-P-C4' energy: -30.989
flat angles P-C4'-P energy: -20.849
tors. eta vs tors. theta energy: -43.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -543.444271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.444271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.444271 (E_RNA)
where:
Base-Base interactions energy: -397.104
where: short stacking energy: -156.848
Base-Backbone interact. energy: -0.681
local terms energy: -145.658959
where:
bonds (distance) C4'-P energy: -29.210
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -30.651
flat angles P-C4'-P energy: -23.386
tors. eta vs tors. theta energy: -45.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -532.280943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.280943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.280943 (E_RNA)
where:
Base-Base interactions energy: -389.729
where: short stacking energy: -148.710
Base-Backbone interact. energy: -1.459
local terms energy: -141.092863
where:
bonds (distance) C4'-P energy: -26.569
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -26.237
flat angles P-C4'-P energy: -24.544
tors. eta vs tors. theta energy: -46.435
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: 365
Temperature: 1.150000
Total energy: -536.444536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.444536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.444536 (E_RNA)
where:
Base-Base interactions energy: -390.669
where: short stacking energy: -147.794
Base-Backbone interact. energy: -1.131
local terms energy: -144.644527
where:
bonds (distance) C4'-P energy: -27.638
bonds (distance) P-C4' energy: -25.790
flat angles C4'-P-C4' energy: -27.579
flat angles P-C4'-P energy: -20.648
tors. eta vs tors. theta energy: -42.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -521.688558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.688558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.688558 (E_RNA)
where:
Base-Base interactions energy: -374.390
where: short stacking energy: -146.719
Base-Backbone interact. energy: -0.726
local terms energy: -146.573510
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -30.428
flat angles C4'-P-C4' energy: -29.198
flat angles P-C4'-P energy: -20.339
tors. eta vs tors. theta energy: -44.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -509.843079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.843079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.843079 (E_RNA)
where:
Base-Base interactions energy: -370.180
where: short stacking energy: -151.102
Base-Backbone interact. energy: -1.452
local terms energy: -138.210842
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -31.790
flat angles P-C4'-P energy: -21.794
tors. eta vs tors. theta energy: -45.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -506.691498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.691498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.691498 (E_RNA)
where:
Base-Base interactions energy: -368.657
where: short stacking energy: -138.597
Base-Backbone interact. energy: -1.702
local terms energy: -136.332495
where:
bonds (distance) C4'-P energy: -25.293
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -27.768
flat angles P-C4'-P energy: -21.859
tors. eta vs tors. theta energy: -43.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -299.118079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.118079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.118079 (E_RNA)
where:
Base-Base interactions energy: -191.831
where: short stacking energy: -84.081
Base-Backbone interact. energy: -1.569
local terms energy: -105.717674
where:
bonds (distance) C4'-P energy: -21.720
bonds (distance) P-C4' energy: -30.598
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -20.078
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: 9
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -564.663768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.663768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.663768 (E_RNA)
where:
Base-Base interactions energy: -399.427
where: short stacking energy: -162.214
Base-Backbone interact. energy: -0.555
local terms energy: -164.681159
where:
bonds (distance) C4'-P energy: -25.658
bonds (distance) P-C4' energy: -32.673
flat angles C4'-P-C4' energy: -29.763
flat angles P-C4'-P energy: -27.429
tors. eta vs tors. theta energy: -49.158
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: 4
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -553.158346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.158346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.158346 (E_RNA)
where:
Base-Base interactions energy: -391.736
where: short stacking energy: -153.314
Base-Backbone interact. energy: 0.355
local terms energy: -161.777377
where:
bonds (distance) C4'-P energy: -28.870
bonds (distance) P-C4' energy: -32.086
flat angles C4'-P-C4' energy: -32.950
flat angles P-C4'-P energy: -21.784
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: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -553.623859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.623859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.623859 (E_RNA)
where:
Base-Base interactions energy: -395.026
where: short stacking energy: -152.207
Base-Backbone interact. energy: -1.655
local terms energy: -156.942873
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -29.401
flat angles C4'-P-C4' energy: -30.927
flat angles P-C4'-P energy: -25.569
tors. eta vs tors. theta energy: -47.917
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: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -551.044256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.044256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.044256 (E_RNA)
where:
Base-Base interactions energy: -393.107
where: short stacking energy: -153.073
Base-Backbone interact. energy: -0.288
local terms energy: -157.648438
where:
bonds (distance) C4'-P energy: -26.825
bonds (distance) P-C4' energy: -27.565
flat angles C4'-P-C4' energy: -32.713
flat angles P-C4'-P energy: -25.481
tors. eta vs tors. theta energy: -45.064
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: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -540.085902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.085902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.085902 (E_RNA)
where:
Base-Base interactions energy: -392.224
where: short stacking energy: -152.066
Base-Backbone interact. energy: -0.042
local terms energy: -147.819989
where:
bonds (distance) C4'-P energy: -29.550
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -28.801
flat angles P-C4'-P energy: -20.533
tors. eta vs tors. theta energy: -45.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -523.059512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.059512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.059512 (E_RNA)
where:
Base-Base interactions energy: -385.003
where: short stacking energy: -147.366
Base-Backbone interact. energy: 0.521
local terms energy: -138.577497
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -22.725
flat angles C4'-P-C4' energy: -27.098
flat angles P-C4'-P energy: -18.445
tors. eta vs tors. theta energy: -46.929
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: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -520.649332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.649332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.649332 (E_RNA)
where:
Base-Base interactions energy: -371.476
where: short stacking energy: -146.093
Base-Backbone interact. energy: -0.044
local terms energy: -149.129066
where:
bonds (distance) C4'-P energy: -27.020
bonds (distance) P-C4' energy: -24.619
flat angles C4'-P-C4' energy: -31.428
flat angles P-C4'-P energy: -18.490
tors. eta vs tors. theta energy: -47.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -514.105932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.105932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.105932 (E_RNA)
where:
Base-Base interactions energy: -375.518
where: short stacking energy: -149.054
Base-Backbone interact. energy: -0.044
local terms energy: -138.544055
where:
bonds (distance) C4'-P energy: -24.058
bonds (distance) P-C4' energy: -21.833
flat angles C4'-P-C4' energy: -31.631
flat angles P-C4'-P energy: -20.013
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: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -507.910267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.910267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.910267 (E_RNA)
where:
Base-Base interactions energy: -368.418
where: short stacking energy: -141.034
Base-Backbone interact. energy: -0.611
local terms energy: -138.881493
where:
bonds (distance) C4'-P energy: -24.959
bonds (distance) P-C4' energy: -20.089
flat angles C4'-P-C4' energy: -29.972
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -45.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -286.665408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.665408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.665408 (E_RNA)
where:
Base-Base interactions energy: -195.493
where: short stacking energy: -86.024
Base-Backbone interact. energy: -0.226
local terms energy: -90.947011
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -18.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -562.779536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.779536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.779536 (E_RNA)
where:
Base-Base interactions energy: -408.784
where: short stacking energy: -161.077
Base-Backbone interact. energy: -1.217
local terms energy: -152.778141
where:
bonds (distance) C4'-P energy: -27.396
bonds (distance) P-C4' energy: -24.690
flat angles C4'-P-C4' energy: -30.952
flat angles P-C4'-P energy: -22.008
tors. eta vs tors. theta energy: -47.732
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: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -558.773840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.773840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.773840 (E_RNA)
where:
Base-Base interactions energy: -401.255
where: short stacking energy: -156.699
Base-Backbone interact. energy: -0.001
local terms energy: -157.518102
where:
bonds (distance) C4'-P energy: -28.372
bonds (distance) P-C4' energy: -30.984
flat angles C4'-P-C4' energy: -28.265
flat angles P-C4'-P energy: -24.242
tors. eta vs tors. theta energy: -45.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -545.727773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.727773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.727773 (E_RNA)
where:
Base-Base interactions energy: -396.637
where: short stacking energy: -149.121
Base-Backbone interact. energy: -2.336
local terms energy: -146.755362
where:
bonds (distance) C4'-P energy: -23.954
bonds (distance) P-C4' energy: -26.802
flat angles C4'-P-C4' energy: -29.917
flat angles P-C4'-P energy: -19.124
tors. eta vs tors. theta energy: -46.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -547.399409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.399409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.399409 (E_RNA)
where:
Base-Base interactions energy: -397.433
where: short stacking energy: -156.709
Base-Backbone interact. energy: -0.385
local terms energy: -149.581490
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -23.807
flat angles C4'-P-C4' energy: -32.006
flat angles P-C4'-P energy: -22.458
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: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -526.955099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.955099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.955099 (E_RNA)
where:
Base-Base interactions energy: -379.108
where: short stacking energy: -148.050
Base-Backbone interact. energy: -0.591
local terms energy: -147.255899
where:
bonds (distance) C4'-P energy: -24.038
bonds (distance) P-C4' energy: -24.863
flat angles C4'-P-C4' energy: -31.250
flat angles P-C4'-P energy: -20.043
tors. eta vs tors. theta energy: -47.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -526.051391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.051391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.051391 (E_RNA)
where:
Base-Base interactions energy: -385.358
where: short stacking energy: -150.316
Base-Backbone interact. energy: -0.856
local terms energy: -139.837984
where:
bonds (distance) C4'-P energy: -26.012
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -32.500
flat angles P-C4'-P energy: -18.619
tors. eta vs tors. theta energy: -42.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -533.871091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.871091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.871091 (E_RNA)
where:
Base-Base interactions energy: -385.958
where: short stacking energy: -149.548
Base-Backbone interact. energy: -0.043
local terms energy: -147.870115
where:
bonds (distance) C4'-P energy: -25.988
bonds (distance) P-C4' energy: -26.128
flat angles C4'-P-C4' energy: -29.605
flat angles P-C4'-P energy: -23.949
tors. eta vs tors. theta energy: -42.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -503.004203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.004203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.004203 (E_RNA)
where:
Base-Base interactions energy: -369.018
where: short stacking energy: -138.340
Base-Backbone interact. energy: -0.221
local terms energy: -133.765728
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -28.049
flat angles C4'-P-C4' energy: -28.026
flat angles P-C4'-P energy: -17.877
tors. eta vs tors. theta energy: -43.374
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: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -507.778708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.778708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.778708 (E_RNA)
where:
Base-Base interactions energy: -373.793
where: short stacking energy: -152.499
Base-Backbone interact. energy: 1.068
local terms energy: -135.053366
where:
bonds (distance) C4'-P energy: -24.777
bonds (distance) P-C4' energy: -24.264
flat angles C4'-P-C4' energy: -26.541
flat angles P-C4'-P energy: -20.229
tors. eta vs tors. theta energy: -39.242
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: 10, replica: 2
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -291.109877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.109877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.109877 (E_RNA)
where:
Base-Base interactions energy: -174.209
where: short stacking energy: -73.018
Base-Backbone interact. energy: -0.728
local terms energy: -116.173718
where:
bonds (distance) C4'-P energy: -26.730
bonds (distance) P-C4' energy: -26.836
flat angles C4'-P-C4' energy: -26.137
flat angles P-C4'-P energy: -21.974
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -565.665077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.665077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.665077 (E_RNA)
where:
Base-Base interactions energy: -413.329
where: short stacking energy: -162.741
Base-Backbone interact. energy: -1.186
local terms energy: -151.149290
where:
bonds (distance) C4'-P energy: -25.239
bonds (distance) P-C4' energy: -28.404
flat angles C4'-P-C4' energy: -30.755
flat angles P-C4'-P energy: -18.793
tors. eta vs tors. theta energy: -47.958
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: 2, replica: 9
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -551.464010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.464010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.464010 (E_RNA)
where:
Base-Base interactions energy: -398.456
where: short stacking energy: -153.930
Base-Backbone interact. energy: -1.084
local terms energy: -151.924234
where:
bonds (distance) C4'-P energy: -27.157
bonds (distance) P-C4' energy: -21.857
flat angles C4'-P-C4' energy: -31.140
flat angles P-C4'-P energy: -26.217
tors. eta vs tors. theta energy: -45.553
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: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -547.045802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.045802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.045802 (E_RNA)
where:
Base-Base interactions energy: -389.613
where: short stacking energy: -148.436
Base-Backbone interact. energy: -0.242
local terms energy: -157.191263
where:
bonds (distance) C4'-P energy: -27.331
bonds (distance) P-C4' energy: -28.584
flat angles C4'-P-C4' energy: -30.439
flat angles P-C4'-P energy: -24.615
tors. eta vs tors. theta energy: -46.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -539.675427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.675427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.675427 (E_RNA)
where:
Base-Base interactions energy: -387.455
where: short stacking energy: -151.428
Base-Backbone interact. energy: -0.004
local terms energy: -152.216629
where:
bonds (distance) C4'-P energy: -29.127
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -25.588
flat angles P-C4'-P energy: -25.664
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: 5, replica: 6
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -541.089614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.089614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.089614 (E_RNA)
where:
Base-Base interactions energy: -388.319
where: short stacking energy: -152.769
Base-Backbone interact. energy: -0.283
local terms energy: -152.487219
where:
bonds (distance) C4'-P energy: -27.815
bonds (distance) P-C4' energy: -27.418
flat angles C4'-P-C4' energy: -29.205
flat angles P-C4'-P energy: -22.568
tors. eta vs tors. theta energy: -45.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -532.352976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.352976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.352976 (E_RNA)
where:
Base-Base interactions energy: -391.479
where: short stacking energy: -152.287
Base-Backbone interact. energy: -0.594
local terms energy: -140.279153
where:
bonds (distance) C4'-P energy: -24.873
bonds (distance) P-C4' energy: -23.846
flat angles C4'-P-C4' energy: -29.706
flat angles P-C4'-P energy: -18.690
tors. eta vs tors. theta energy: -43.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -526.656633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.656633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.656633 (E_RNA)
where:
Base-Base interactions energy: -386.532
where: short stacking energy: -146.443
Base-Backbone interact. energy: -0.448
local terms energy: -139.675950
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -28.044
flat angles P-C4'-P energy: -22.987
tors. eta vs tors. theta energy: -45.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -513.020004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.020004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.020004 (E_RNA)
where:
Base-Base interactions energy: -364.802
where: short stacking energy: -143.817
Base-Backbone interact. energy: -0.047
local terms energy: -148.171324
where:
bonds (distance) C4'-P energy: -21.823
bonds (distance) P-C4' energy: -27.920
flat angles C4'-P-C4' energy: -27.883
flat angles P-C4'-P energy: -26.061
tors. eta vs tors. theta energy: -44.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -511.537849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.537849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.537849 (E_RNA)
where:
Base-Base interactions energy: -369.903
where: short stacking energy: -146.689
Base-Backbone interact. energy: -0.425
local terms energy: -141.209483
where:
bonds (distance) C4'-P energy: -23.104
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -27.617
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -47.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -311.139862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.139862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.139862 (E_RNA)
where:
Base-Base interactions energy: -206.649
where: short stacking energy: -89.126
Base-Backbone interact. energy: -0.971
local terms energy: -103.520169
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -24.922
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -19.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -564.674878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.674878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.674878 (E_RNA)
where:
Base-Base interactions energy: -414.334
where: short stacking energy: -159.840
Base-Backbone interact. energy: -1.815
local terms energy: -148.526621
where:
bonds (distance) C4'-P energy: -22.660
bonds (distance) P-C4' energy: -30.668
flat angles C4'-P-C4' energy: -29.080
flat angles P-C4'-P energy: -22.681
tors. eta vs tors. theta energy: -43.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -555.146944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.146944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.146944 (E_RNA)
where:
Base-Base interactions energy: -400.375
where: short stacking energy: -159.164
Base-Backbone interact. energy: -0.003
local terms energy: -154.769113
where:
bonds (distance) C4'-P energy: -29.654
bonds (distance) P-C4' energy: -27.739
flat angles C4'-P-C4' energy: -31.500
flat angles P-C4'-P energy: -21.431
tors. eta vs tors. theta energy: -44.445
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: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -552.274643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.274643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.274643 (E_RNA)
where:
Base-Base interactions energy: -401.116
where: short stacking energy: -156.218
Base-Backbone interact. energy: -1.392
local terms energy: -149.766878
where:
bonds (distance) C4'-P energy: -27.947
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -27.110
flat angles P-C4'-P energy: -26.579
tors. eta vs tors. theta energy: -46.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -548.994950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.994950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.994950 (E_RNA)
where:
Base-Base interactions energy: -394.017
where: short stacking energy: -152.739
Base-Backbone interact. energy: -0.375
local terms energy: -154.602724
where:
bonds (distance) C4'-P energy: -26.130
bonds (distance) P-C4' energy: -27.158
flat angles C4'-P-C4' energy: -31.941
flat angles P-C4'-P energy: -23.040
tors. eta vs tors. theta energy: -46.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -540.882608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.882608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.882608 (E_RNA)
where:
Base-Base interactions energy: -394.307
where: short stacking energy: -154.430
Base-Backbone interact. energy: -1.014
local terms energy: -145.561086
where:
bonds (distance) C4'-P energy: -25.834
bonds (distance) P-C4' energy: -24.773
flat angles C4'-P-C4' energy: -29.961
flat angles P-C4'-P energy: -21.190
tors. eta vs tors. theta energy: -43.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -535.133377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.133377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.133377 (E_RNA)
where:
Base-Base interactions energy: -390.845
where: short stacking energy: -149.715
Base-Backbone interact. energy: -0.541
local terms energy: -143.746531
where:
bonds (distance) C4'-P energy: -22.674
bonds (distance) P-C4' energy: -21.322
flat angles C4'-P-C4' energy: -29.987
flat angles P-C4'-P energy: -23.739
tors. eta vs tors. theta energy: -46.024
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: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -524.535274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.535274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.535274 (E_RNA)
where:
Base-Base interactions energy: -383.298
where: short stacking energy: -151.574
Base-Backbone interact. energy: -0.175
local terms energy: -141.061569
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -26.673
flat angles C4'-P-C4' energy: -31.312
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -46.064
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: 7
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -522.276441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.276441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.276441 (E_RNA)
where:
Base-Base interactions energy: -379.604
where: short stacking energy: -153.475
Base-Backbone interact. energy: -1.038
local terms energy: -141.634557
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -23.937
flat angles C4'-P-C4' energy: -30.926
flat angles P-C4'-P energy: -21.307
tors. eta vs tors. theta energy: -44.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -503.385660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.385660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.385660 (E_RNA)
where:
Base-Base interactions energy: -364.063
where: short stacking energy: -141.274
Base-Backbone interact. energy: 0.404
local terms energy: -139.726333
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -25.007
flat angles C4'-P-C4' energy: -31.267
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -44.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -299.100517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.100517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.100517 (E_RNA)
where:
Base-Base interactions energy: -196.246
where: short stacking energy: -82.295
Base-Backbone interact. energy: -0.614
local terms energy: -102.240410
where:
bonds (distance) C4'-P energy: -26.773
bonds (distance) P-C4' energy: -21.347
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -568.259408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.259408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.259408 (E_RNA)
where:
Base-Base interactions energy: -409.430
where: short stacking energy: -161.101
Base-Backbone interact. energy: -0.048
local terms energy: -158.780980
where:
bonds (distance) C4'-P energy: -30.576
bonds (distance) P-C4' energy: -29.225
flat angles C4'-P-C4' energy: -31.100
flat angles P-C4'-P energy: -18.360
tors. eta vs tors. theta energy: -49.519
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: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -555.661560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.661560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.661560 (E_RNA)
where:
Base-Base interactions energy: -401.743
where: short stacking energy: -164.053
Base-Backbone interact. energy: -0.169
local terms energy: -153.749767
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -29.931
flat angles C4'-P-C4' energy: -30.125
flat angles P-C4'-P energy: -24.238
tors. eta vs tors. theta energy: -46.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -538.105806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.105806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.105806 (E_RNA)
where:
Base-Base interactions energy: -392.207
where: short stacking energy: -151.356
Base-Backbone interact. energy: -0.582
local terms energy: -145.316035
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -29.188
flat angles C4'-P-C4' energy: -33.105
flat angles P-C4'-P energy: -19.719
tors. eta vs tors. theta energy: -46.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -546.202098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.202098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.202098 (E_RNA)
where:
Base-Base interactions energy: -392.768
where: short stacking energy: -160.191
Base-Backbone interact. energy: -0.485
local terms energy: -152.948698
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -30.802
flat angles C4'-P-C4' energy: -30.565
flat angles P-C4'-P energy: -24.257
tors. eta vs tors. theta energy: -45.161
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: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -530.899147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.899147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.899147 (E_RNA)
where:
Base-Base interactions energy: -385.628
where: short stacking energy: -150.560
Base-Backbone interact. energy: -0.961
local terms energy: -144.310316
where:
bonds (distance) C4'-P energy: -26.697
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -32.875
flat angles P-C4'-P energy: -22.824
tors. eta vs tors. theta energy: -44.176
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: 370
Temperature: 1.150000
Total energy: -529.784587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.784587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.784587 (E_RNA)
where:
Base-Base interactions energy: -386.212
where: short stacking energy: -154.220
Base-Backbone interact. energy: -0.989
local terms energy: -142.584333
where:
bonds (distance) C4'-P energy: -25.495
bonds (distance) P-C4' energy: -25.389
flat angles C4'-P-C4' energy: -26.785
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: -47.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -516.330884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.330884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.330884 (E_RNA)
where:
Base-Base interactions energy: -374.100
where: short stacking energy: -146.454
Base-Backbone interact. energy: -0.686
local terms energy: -141.544657
where:
bonds (distance) C4'-P energy: -25.764
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -28.837
flat angles P-C4'-P energy: -18.201
tors. eta vs tors. theta energy: -45.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -515.104579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.104579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.104579 (E_RNA)
where:
Base-Base interactions energy: -376.760
where: short stacking energy: -150.875
Base-Backbone interact. energy: -2.394
local terms energy: -135.950579
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -27.274
flat angles P-C4'-P energy: -19.917
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: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -515.353330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.353330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.353330 (E_RNA)
where:
Base-Base interactions energy: -373.179
where: short stacking energy: -140.617
Base-Backbone interact. energy: -0.239
local terms energy: -141.934723
where:
bonds (distance) C4'-P energy: -23.489
bonds (distance) P-C4' energy: -24.746
flat angles C4'-P-C4' energy: -29.911
flat angles P-C4'-P energy: -18.963
tors. eta vs tors. theta energy: -44.825
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: 2
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -289.554285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.554285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.554285 (E_RNA)
where:
Base-Base interactions energy: -196.818
where: short stacking energy: -91.753
Base-Backbone interact. energy: -0.647
local terms energy: -92.088979
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -21.952
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -11.294
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: 1, replica: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -563.331426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.331426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.331426 (E_RNA)
where:
Base-Base interactions energy: -402.534
where: short stacking energy: -161.729
Base-Backbone interact. energy: -0.022
local terms energy: -160.775323
where:
bonds (distance) C4'-P energy: -29.412
bonds (distance) P-C4' energy: -28.724
flat angles C4'-P-C4' energy: -30.787
flat angles P-C4'-P energy: -24.173
tors. eta vs tors. theta energy: -47.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -554.596179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.596179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.596179 (E_RNA)
where:
Base-Base interactions energy: -403.857
where: short stacking energy: -165.816
Base-Backbone interact. energy: -0.042
local terms energy: -150.696718
where:
bonds (distance) C4'-P energy: -22.711
bonds (distance) P-C4' energy: -27.024
flat angles C4'-P-C4' energy: -33.207
flat angles P-C4'-P energy: -21.159
tors. eta vs tors. theta energy: -46.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -549.380421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.380421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.380421 (E_RNA)
where:
Base-Base interactions energy: -401.589
where: short stacking energy: -156.961
Base-Backbone interact. energy: -0.264
local terms energy: -147.527843
where:
bonds (distance) C4'-P energy: -25.713
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -31.979
flat angles P-C4'-P energy: -20.108
tors. eta vs tors. theta energy: -47.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -550.050475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.050475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.050475 (E_RNA)
where:
Base-Base interactions energy: -397.068
where: short stacking energy: -153.874
Base-Backbone interact. energy: -0.755
local terms energy: -152.227143
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -29.213
flat angles C4'-P-C4' energy: -32.288
flat angles P-C4'-P energy: -21.001
tors. eta vs tors. theta energy: -45.785
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: 9
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -535.311018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.311018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.311018 (E_RNA)
where:
Base-Base interactions energy: -389.202
where: short stacking energy: -152.071
Base-Backbone interact. energy: -0.010
local terms energy: -146.098342
where:
bonds (distance) C4'-P energy: -24.991
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -29.495
flat angles P-C4'-P energy: -21.919
tors. eta vs tors. theta energy: -46.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -538.298509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.298509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.298509 (E_RNA)
where:
Base-Base interactions energy: -385.050
where: short stacking energy: -144.411
Base-Backbone interact. energy: -0.215
local terms energy: -153.033081
where:
bonds (distance) C4'-P energy: -29.148
bonds (distance) P-C4' energy: -26.255
flat angles C4'-P-C4' energy: -30.840
flat angles P-C4'-P energy: -23.176
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: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -528.812350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.812350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.812350 (E_RNA)
where:
Base-Base interactions energy: -381.694
where: short stacking energy: -148.667
Base-Backbone interact. energy: -0.459
local terms energy: -146.659794
where:
bonds (distance) C4'-P energy: -22.216
bonds (distance) P-C4' energy: -22.491
flat angles C4'-P-C4' energy: -30.397
flat angles P-C4'-P energy: -24.234
tors. eta vs tors. theta energy: -47.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -525.130795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.130795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.130795 (E_RNA)
where:
Base-Base interactions energy: -381.393
where: short stacking energy: -150.540
Base-Backbone interact. energy: -0.001
local terms energy: -143.737253
where:
bonds (distance) C4'-P energy: -22.434
bonds (distance) P-C4' energy: -30.033
flat angles C4'-P-C4' energy: -28.849
flat angles P-C4'-P energy: -21.570
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: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -512.020874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.020874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.020874 (E_RNA)
where:
Base-Base interactions energy: -367.503
where: short stacking energy: -143.144
Base-Backbone interact. energy: -0.006
local terms energy: -144.511072
where:
bonds (distance) C4'-P energy: -22.244
bonds (distance) P-C4' energy: -28.391
flat angles C4'-P-C4' energy: -27.434
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: -47.833
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: 2
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -305.286555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.286555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.286555 (E_RNA)
where:
Base-Base interactions energy: -193.446
where: short stacking energy: -84.068
Base-Backbone interact. energy: -0.253
local terms energy: -111.587688
where:
bonds (distance) C4'-P energy: -26.389
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -27.514
flat angles P-C4'-P energy: -17.796
tors. eta vs tors. theta energy: -18.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -563.039084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.039084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.039084 (E_RNA)
where:
Base-Base interactions energy: -402.224
where: short stacking energy: -161.070
Base-Backbone interact. energy: -1.027
local terms energy: -159.788710
where:
bonds (distance) C4'-P energy: -29.718
bonds (distance) P-C4' energy: -22.459
flat angles C4'-P-C4' energy: -33.741
flat angles P-C4'-P energy: -26.988
tors. eta vs tors. theta energy: -46.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -547.597998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.597998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.597998 (E_RNA)
where:
Base-Base interactions energy: -392.211
where: short stacking energy: -156.293
Base-Backbone interact. energy: -0.079
local terms energy: -155.308090
where:
bonds (distance) C4'-P energy: -24.648
bonds (distance) P-C4' energy: -25.320
flat angles C4'-P-C4' energy: -33.107
flat angles P-C4'-P energy: -25.906
tors. eta vs tors. theta energy: -46.327
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: 6
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -546.922694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.922694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.922694 (E_RNA)
where:
Base-Base interactions energy: -396.588
where: short stacking energy: -156.298
Base-Backbone interact. energy: -0.539
local terms energy: -149.794818
where:
bonds (distance) C4'-P energy: -27.653
bonds (distance) P-C4' energy: -26.599
flat angles C4'-P-C4' energy: -32.245
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -45.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -541.768609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.768609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.768609 (E_RNA)
where:
Base-Base interactions energy: -390.085
where: short stacking energy: -152.246
Base-Backbone interact. energy: -0.195
local terms energy: -151.488245
where:
bonds (distance) C4'-P energy: -26.211
bonds (distance) P-C4' energy: -23.827
flat angles C4'-P-C4' energy: -33.133
flat angles P-C4'-P energy: -22.916
tors. eta vs tors. theta energy: -45.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -537.000806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.000806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.000806 (E_RNA)
where:
Base-Base interactions energy: -383.638
where: short stacking energy: -152.047
Base-Backbone interact. energy: -1.690
local terms energy: -151.673584
where:
bonds (distance) C4'-P energy: -26.619
bonds (distance) P-C4' energy: -27.961
flat angles C4'-P-C4' energy: -29.216
flat angles P-C4'-P energy: -21.821
tors. eta vs tors. theta energy: -46.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -527.088968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.088968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.088968 (E_RNA)
where:
Base-Base interactions energy: -382.231
where: short stacking energy: -143.679
Base-Backbone interact. energy: -1.740
local terms energy: -143.117708
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -31.902
flat angles C4'-P-C4' energy: -30.014
flat angles P-C4'-P energy: -18.492
tors. eta vs tors. theta energy: -45.344
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: 3
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -521.676698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.676698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.676698 (E_RNA)
where:
Base-Base interactions energy: -370.595
where: short stacking energy: -147.687
Base-Backbone interact. energy: -0.008
local terms energy: -151.074333
where:
bonds (distance) C4'-P energy: -27.736
bonds (distance) P-C4' energy: -26.464
flat angles C4'-P-C4' energy: -26.955
flat angles P-C4'-P energy: -23.907
tors. eta vs tors. theta energy: -46.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -520.238328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.238328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.238328 (E_RNA)
where:
Base-Base interactions energy: -380.163
where: short stacking energy: -144.184
Base-Backbone interact. energy: -0.201
local terms energy: -139.873823
where:
bonds (distance) C4'-P energy: -24.148
bonds (distance) P-C4' energy: -21.445
flat angles C4'-P-C4' energy: -31.158
flat angles P-C4'-P energy: -18.996
tors. eta vs tors. theta energy: -44.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -502.072815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.072815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.072815 (E_RNA)
where:
Base-Base interactions energy: -378.187
where: short stacking energy: -143.275
Base-Backbone interact. energy: -0.404
local terms energy: -123.481708
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -31.417
flat angles P-C4'-P energy: -18.561
tors. eta vs tors. theta energy: -44.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -310.966608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.966608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.966608 (E_RNA)
where:
Base-Base interactions energy: -200.616
where: short stacking energy: -85.381
Base-Backbone interact. energy: -0.362
local terms energy: -109.988258
where:
bonds (distance) C4'-P energy: -27.228
bonds (distance) P-C4' energy: -25.247
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -19.611
tors. eta vs tors. theta energy: -20.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -560.593815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.593815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.593815 (E_RNA)
where:
Base-Base interactions energy: -404.366
where: short stacking energy: -162.870
Base-Backbone interact. energy: -1.095
local terms energy: -155.133624
where:
bonds (distance) C4'-P energy: -27.996
bonds (distance) P-C4' energy: -27.678
flat angles C4'-P-C4' energy: -31.279
flat angles P-C4'-P energy: -20.452
tors. eta vs tors. theta energy: -47.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -560.820732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.820732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.820732 (E_RNA)
where:
Base-Base interactions energy: -400.046
where: short stacking energy: -162.659
Base-Backbone interact. energy: -0.001
local terms energy: -160.773914
where:
bonds (distance) C4'-P energy: -27.657
bonds (distance) P-C4' energy: -27.977
flat angles C4'-P-C4' energy: -31.506
flat angles P-C4'-P energy: -26.353
tors. eta vs tors. theta energy: -47.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -543.053049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.053049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.053049 (E_RNA)
where:
Base-Base interactions energy: -392.385
where: short stacking energy: -150.545
Base-Backbone interact. energy: -0.435
local terms energy: -150.232686
where:
bonds (distance) C4'-P energy: -29.965
bonds (distance) P-C4' energy: -23.633
flat angles C4'-P-C4' energy: -26.334
flat angles P-C4'-P energy: -24.183
tors. eta vs tors. theta energy: -46.118
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: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -538.012950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.012950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.012950 (E_RNA)
where:
Base-Base interactions energy: -390.829
where: short stacking energy: -155.101
Base-Backbone interact. energy: -0.168
local terms energy: -147.016245
where:
bonds (distance) C4'-P energy: -22.760
bonds (distance) P-C4' energy: -30.759
flat angles C4'-P-C4' energy: -28.371
flat angles P-C4'-P energy: -18.574
tors. eta vs tors. theta energy: -46.552
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: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -543.597711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.597711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.597711 (E_RNA)
where:
Base-Base interactions energy: -391.406
where: short stacking energy: -154.242
Base-Backbone interact. energy: -1.341
local terms energy: -150.850866
where:
bonds (distance) C4'-P energy: -27.579
bonds (distance) P-C4' energy: -25.690
flat angles C4'-P-C4' energy: -28.253
flat angles P-C4'-P energy: -21.984
tors. eta vs tors. theta energy: -47.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -540.911838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.911838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.911838 (E_RNA)
where:
Base-Base interactions energy: -393.897
where: short stacking energy: -151.733
Base-Backbone interact. energy: -0.026
local terms energy: -146.988516
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -29.674
flat angles C4'-P-C4' energy: -31.133
flat angles P-C4'-P energy: -18.617
tors. eta vs tors. theta energy: -46.798
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: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -513.218953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.218953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.218953 (E_RNA)
where:
Base-Base interactions energy: -376.173
where: short stacking energy: -143.424
Base-Backbone interact. energy: -0.428
local terms energy: -136.618218
where:
bonds (distance) C4'-P energy: -20.784
bonds (distance) P-C4' energy: -18.894
flat angles C4'-P-C4' energy: -29.415
flat angles P-C4'-P energy: -23.711
tors. eta vs tors. theta energy: -43.814
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: 7
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -507.340863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.340863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.340863 (E_RNA)
where:
Base-Base interactions energy: -366.179
where: short stacking energy: -151.806
Base-Backbone interact. energy: -0.002
local terms energy: -141.159600
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -25.310
flat angles C4'-P-C4' energy: -28.268
flat angles P-C4'-P energy: -20.496
tors. eta vs tors. theta energy: -44.254
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: 8
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -507.001332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.001332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.001332 (E_RNA)
where:
Base-Base interactions energy: -373.932
where: short stacking energy: -144.372
Base-Backbone interact. energy: -0.934
local terms energy: -132.135258
where:
bonds (distance) C4'-P energy: -24.316
bonds (distance) P-C4' energy: -19.057
flat angles C4'-P-C4' energy: -24.705
flat angles P-C4'-P energy: -17.375
tors. eta vs tors. theta energy: -46.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -299.751772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.751772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.751772 (E_RNA)
where:
Base-Base interactions energy: -201.425
where: short stacking energy: -80.658
Base-Backbone interact. energy: -0.045
local terms energy: -98.281293
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -28.729
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -17.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -554.560972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.560972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.560972 (E_RNA)
where:
Base-Base interactions energy: -407.564
where: short stacking energy: -161.303
Base-Backbone interact. energy: -0.098
local terms energy: -146.898356
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -33.476
flat angles P-C4'-P energy: -22.296
tors. eta vs tors. theta energy: -47.315
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: 2, replica: 5
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -555.779584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.779584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.779584 (E_RNA)
where:
Base-Base interactions energy: -401.677
where: short stacking energy: -151.183
Base-Backbone interact. energy: -0.507
local terms energy: -153.595996
where:
bonds (distance) C4'-P energy: -27.997
bonds (distance) P-C4' energy: -30.950
flat angles C4'-P-C4' energy: -24.839
flat angles P-C4'-P energy: -25.375
tors. eta vs tors. theta energy: -44.436
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: 6
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -555.002580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.002580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.002580 (E_RNA)
where:
Base-Base interactions energy: -397.608
where: short stacking energy: -157.326
Base-Backbone interact. energy: -0.500
local terms energy: -156.894562
where:
bonds (distance) C4'-P energy: -28.780
bonds (distance) P-C4' energy: -26.327
flat angles C4'-P-C4' energy: -31.480
flat angles P-C4'-P energy: -22.778
tors. eta vs tors. theta energy: -47.530
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: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -543.412990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.412990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.412990 (E_RNA)
where:
Base-Base interactions energy: -391.120
where: short stacking energy: -149.451
Base-Backbone interact. energy: -0.182
local terms energy: -152.111516
where:
bonds (distance) C4'-P energy: -25.313
bonds (distance) P-C4' energy: -25.414
flat angles C4'-P-C4' energy: -32.292
flat angles P-C4'-P energy: -22.949
tors. eta vs tors. theta energy: -46.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -544.549271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.549271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.549271 (E_RNA)
where:
Base-Base interactions energy: -394.061
where: short stacking energy: -155.346
Base-Backbone interact. energy: -0.001
local terms energy: -150.487299
where:
bonds (distance) C4'-P energy: -29.528
bonds (distance) P-C4' energy: -27.587
flat angles C4'-P-C4' energy: -27.748
flat angles P-C4'-P energy: -20.880
tors. eta vs tors. theta energy: -44.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -527.733942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.733942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.733942 (E_RNA)
where:
Base-Base interactions energy: -383.995
where: short stacking energy: -148.976
Base-Backbone interact. energy: -0.032
local terms energy: -143.707373
where:
bonds (distance) C4'-P energy: -25.371
bonds (distance) P-C4' energy: -30.005
flat angles C4'-P-C4' energy: -25.986
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -47.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -516.291509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.291509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.291509 (E_RNA)
where:
Base-Base interactions energy: -377.472
where: short stacking energy: -145.850
Base-Backbone interact. energy: -1.178
local terms energy: -137.641703
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -23.979
flat angles C4'-P-C4' energy: -22.959
flat angles P-C4'-P energy: -22.161
tors. eta vs tors. theta energy: -45.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -508.473468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.473468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.473468 (E_RNA)
where:
Base-Base interactions energy: -373.003
where: short stacking energy: -141.938
Base-Backbone interact. energy: -0.007
local terms energy: -135.463874
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -24.974
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -20.471
tors. eta vs tors. theta energy: -44.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -492.960042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.960042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.960042 (E_RNA)
where:
Base-Base interactions energy: -355.595
where: short stacking energy: -136.145
Base-Backbone interact. energy: -0.518
local terms energy: -136.846305
where:
bonds (distance) C4'-P energy: -27.008
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -27.145
flat angles P-C4'-P energy: -19.899
tors. eta vs tors. theta energy: -45.365
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: 2
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -308.821569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.821569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.821569 (E_RNA)
where:
Base-Base interactions energy: -200.735
where: short stacking energy: -87.995
Base-Backbone interact. energy: -0.050
local terms energy: -108.035868
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -23.007
flat angles P-C4'-P energy: -18.938
tors. eta vs tors. theta energy: -22.662
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: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -561.265301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.265301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.265301 (E_RNA)
where:
Base-Base interactions energy: -413.219
where: short stacking energy: -160.298
Base-Backbone interact. energy: 0.017
local terms energy: -148.063281
where:
bonds (distance) C4'-P energy: -26.713
bonds (distance) P-C4' energy: -25.658
flat angles C4'-P-C4' energy: -26.367
flat angles P-C4'-P energy: -22.484
tors. eta vs tors. theta energy: -46.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -549.895286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.895286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.895286 (E_RNA)
where:
Base-Base interactions energy: -393.057
where: short stacking energy: -154.082
Base-Backbone interact. energy: -0.723
local terms energy: -156.115631
where:
bonds (distance) C4'-P energy: -28.615
bonds (distance) P-C4' energy: -25.814
flat angles C4'-P-C4' energy: -33.660
flat angles P-C4'-P energy: -20.773
tors. eta vs tors. theta energy: -47.255
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: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -549.128968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.128968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.128968 (E_RNA)
where:
Base-Base interactions energy: -396.247
where: short stacking energy: -154.056
Base-Backbone interact. energy: -0.417
local terms energy: -152.465790
where:
bonds (distance) C4'-P energy: -20.512
bonds (distance) P-C4' energy: -29.505
flat angles C4'-P-C4' energy: -32.201
flat angles P-C4'-P energy: -24.392
tors. eta vs tors. theta energy: -45.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -538.208003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.208003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.208003 (E_RNA)
where:
Base-Base interactions energy: -388.173
where: short stacking energy: -152.731
Base-Backbone interact. energy: -1.260
local terms energy: -148.774815
where:
bonds (distance) C4'-P energy: -31.392
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -30.444
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -43.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -544.844010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.844010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.844010 (E_RNA)
where:
Base-Base interactions energy: -396.389
where: short stacking energy: -156.624
Base-Backbone interact. energy: -0.491
local terms energy: -147.964385
where:
bonds (distance) C4'-P energy: -25.455
bonds (distance) P-C4' energy: -27.507
flat angles C4'-P-C4' energy: -30.891
flat angles P-C4'-P energy: -19.429
tors. eta vs tors. theta energy: -44.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -525.401971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.401971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.401971 (E_RNA)
where:
Base-Base interactions energy: -375.838
where: short stacking energy: -147.949
Base-Backbone interact. energy: -0.414
local terms energy: -149.149753
where:
bonds (distance) C4'-P energy: -25.065
bonds (distance) P-C4' energy: -27.125
flat angles C4'-P-C4' energy: -29.448
flat angles P-C4'-P energy: -23.373
tors. eta vs tors. theta energy: -44.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -524.064188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.064188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.064188 (E_RNA)
where:
Base-Base interactions energy: -379.505
where: short stacking energy: -146.549
Base-Backbone interact. energy: -0.101
local terms energy: -144.458205
where:
bonds (distance) C4'-P energy: -29.044
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -29.059
flat angles P-C4'-P energy: -23.123
tors. eta vs tors. theta energy: -43.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -530.584834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.584834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.584834 (E_RNA)
where:
Base-Base interactions energy: -384.192
where: short stacking energy: -150.297
Base-Backbone interact. energy: -0.002
local terms energy: -146.390382
where:
bonds (distance) C4'-P energy: -25.546
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -28.810
flat angles P-C4'-P energy: -22.713
tors. eta vs tors. theta energy: -46.144
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: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -473.870922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.870922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.870922 (E_RNA)
where:
Base-Base interactions energy: -344.413
where: short stacking energy: -133.770
Base-Backbone interact. energy: -0.073
local terms energy: -129.385312
where:
bonds (distance) C4'-P energy: -23.096
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -29.322
flat angles P-C4'-P energy: -18.731
tors. eta vs tors. theta energy: -37.769
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: 2
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -291.683710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.683710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.683710 (E_RNA)
where:
Base-Base interactions energy: -192.179
where: short stacking energy: -82.130
Base-Backbone interact. energy: 0.233
local terms energy: -99.737515
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -22.915
flat angles C4'-P-C4' energy: -24.309
flat angles P-C4'-P energy: -18.279
tors. eta vs tors. theta energy: -12.928
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: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -557.896652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.896652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.896652 (E_RNA)
where:
Base-Base interactions energy: -403.786
where: short stacking energy: -159.758
Base-Backbone interact. energy: -1.699
local terms energy: -152.411601
where:
bonds (distance) C4'-P energy: -26.779
bonds (distance) P-C4' energy: -27.576
flat angles C4'-P-C4' energy: -30.881
flat angles P-C4'-P energy: -23.731
tors. eta vs tors. theta energy: -43.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -550.081052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.081052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.081052 (E_RNA)
where:
Base-Base interactions energy: -394.657
where: short stacking energy: -156.557
Base-Backbone interact. energy: -1.228
local terms energy: -154.195963
where:
bonds (distance) C4'-P energy: -30.046
bonds (distance) P-C4' energy: -30.812
flat angles C4'-P-C4' energy: -27.107
flat angles P-C4'-P energy: -20.475
tors. eta vs tors. theta energy: -45.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -552.681797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.681797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.681797 (E_RNA)
where:
Base-Base interactions energy: -400.568
where: short stacking energy: -156.597
Base-Backbone interact. energy: -0.229
local terms energy: -151.885387
where:
bonds (distance) C4'-P energy: -24.909
bonds (distance) P-C4' energy: -27.720
flat angles C4'-P-C4' energy: -28.264
flat angles P-C4'-P energy: -23.637
tors. eta vs tors. theta energy: -47.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -549.513001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.513001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.513001 (E_RNA)
where:
Base-Base interactions energy: -391.751
where: short stacking energy: -152.424
Base-Backbone interact. energy: -0.628
local terms energy: -157.133248
where:
bonds (distance) C4'-P energy: -25.647
bonds (distance) P-C4' energy: -30.954
flat angles C4'-P-C4' energy: -30.057
flat angles P-C4'-P energy: -24.008
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: 5, replica: 7
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -534.215866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.215866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.215866 (E_RNA)
where:
Base-Base interactions energy: -383.302
where: short stacking energy: -144.954
Base-Backbone interact. energy: -0.038
local terms energy: -150.875987
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -30.957
flat angles C4'-P-C4' energy: -28.047
flat angles P-C4'-P energy: -23.700
tors. eta vs tors. theta energy: -45.912
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: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -533.306607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.306607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.306607 (E_RNA)
where:
Base-Base interactions energy: -382.026
where: short stacking energy: -153.238
Base-Backbone interact. energy: -0.706
local terms energy: -150.574598
where:
bonds (distance) C4'-P energy: -26.094
bonds (distance) P-C4' energy: -24.669
flat angles C4'-P-C4' energy: -28.280
flat angles P-C4'-P energy: -25.089
tors. eta vs tors. theta energy: -46.442
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: 4
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -531.991881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.991881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.991881 (E_RNA)
where:
Base-Base interactions energy: -394.401
where: short stacking energy: -158.267
Base-Backbone interact. energy: -0.518
local terms energy: -137.072869
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -30.324
flat angles P-C4'-P energy: -19.193
tors. eta vs tors. theta energy: -45.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -518.861663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.861663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.861663 (E_RNA)
where:
Base-Base interactions energy: -372.844
where: short stacking energy: -143.155
Base-Backbone interact. energy: -0.058
local terms energy: -145.960081
where:
bonds (distance) C4'-P energy: -26.959
bonds (distance) P-C4' energy: -23.692
flat angles C4'-P-C4' energy: -32.357
flat angles P-C4'-P energy: -19.296
tors. eta vs tors. theta energy: -43.656
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: 8
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -511.766450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.766450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.766450 (E_RNA)
where:
Base-Base interactions energy: -381.580
where: short stacking energy: -146.338
Base-Backbone interact. energy: -0.946
local terms energy: -129.240440
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -27.285
flat angles P-C4'-P energy: -20.085
tors. eta vs tors. theta energy: -43.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -306.594237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.594237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.594237 (E_RNA)
where:
Base-Base interactions energy: -203.162
where: short stacking energy: -87.711
Base-Backbone interact. energy: 0.040
local terms energy: -103.471953
where:
bonds (distance) C4'-P energy: -20.836
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -23.589
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -23.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -553.277604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.277604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.277604 (E_RNA)
where:
Base-Base interactions energy: -404.062
where: short stacking energy: -156.139
Base-Backbone interact. energy: 0.221
local terms energy: -149.436890
where:
bonds (distance) C4'-P energy: -24.892
bonds (distance) P-C4' energy: -25.877
flat angles C4'-P-C4' energy: -31.030
flat angles P-C4'-P energy: -23.932
tors. eta vs tors. theta energy: -43.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -560.225245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.225245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.225245 (E_RNA)
where:
Base-Base interactions energy: -403.823
where: short stacking energy: -154.141
Base-Backbone interact. energy: -0.000
local terms energy: -156.402188
where:
bonds (distance) C4'-P energy: -24.683
bonds (distance) P-C4' energy: -30.378
flat angles C4'-P-C4' energy: -32.166
flat angles P-C4'-P energy: -21.721
tors. eta vs tors. theta energy: -47.455
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: 3, replica: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -545.987204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.987204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.987204 (E_RNA)
where:
Base-Base interactions energy: -392.409
where: short stacking energy: -150.756
Base-Backbone interact. energy: -1.091
local terms energy: -152.486516
where:
bonds (distance) C4'-P energy: -27.214
bonds (distance) P-C4' energy: -25.814
flat angles C4'-P-C4' energy: -29.321
flat angles P-C4'-P energy: -25.411
tors. eta vs tors. theta energy: -44.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -538.967050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.967050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.967050 (E_RNA)
where:
Base-Base interactions energy: -392.423
where: short stacking energy: -157.175
Base-Backbone interact. energy: -0.582
local terms energy: -145.962478
where:
bonds (distance) C4'-P energy: -24.899
bonds (distance) P-C4' energy: -28.469
flat angles C4'-P-C4' energy: -24.947
flat angles P-C4'-P energy: -20.074
tors. eta vs tors. theta energy: -47.573
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: 5, replica: 7
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -540.651320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.651320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.651320 (E_RNA)
where:
Base-Base interactions energy: -389.364
where: short stacking energy: -157.077
Base-Backbone interact. energy: -0.739
local terms energy: -150.548291
where:
bonds (distance) C4'-P energy: -25.350
bonds (distance) P-C4' energy: -22.543
flat angles C4'-P-C4' energy: -27.551
flat angles P-C4'-P energy: -26.747
tors. eta vs tors. theta energy: -48.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -531.625638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.625638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.625638 (E_RNA)
where:
Base-Base interactions energy: -387.271
where: short stacking energy: -147.702
Base-Backbone interact. energy: -0.766
local terms energy: -143.589062
where:
bonds (distance) C4'-P energy: -26.386
bonds (distance) P-C4' energy: -19.372
flat angles C4'-P-C4' energy: -30.636
flat angles P-C4'-P energy: -23.266
tors. eta vs tors. theta energy: -43.929
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: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -519.455381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.455381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.455381 (E_RNA)
where:
Base-Base interactions energy: -380.050
where: short stacking energy: -146.206
Base-Backbone interact. energy: -0.008
local terms energy: -139.397345
where:
bonds (distance) C4'-P energy: -23.422
bonds (distance) P-C4' energy: -24.734
flat angles C4'-P-C4' energy: -28.807
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -46.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -509.947514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.947514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.947514 (E_RNA)
where:
Base-Base interactions energy: -374.920
where: short stacking energy: -146.169
Base-Backbone interact. energy: -0.153
local terms energy: -134.874776
where:
bonds (distance) C4'-P energy: -21.496
bonds (distance) P-C4' energy: -25.725
flat angles C4'-P-C4' energy: -28.149
flat angles P-C4'-P energy: -17.693
tors. eta vs tors. theta energy: -41.812
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: 377
Temperature: 1.300000
Total energy: -490.864368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.864368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.864368 (E_RNA)
where:
Base-Base interactions energy: -374.169
where: short stacking energy: -138.230
Base-Backbone interact. energy: -0.543
local terms energy: -116.152455
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -21.069
flat angles C4'-P-C4' energy: -22.972
flat angles P-C4'-P energy: -17.312
tors. eta vs tors. theta energy: -40.842
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: 2
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -303.478117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.478117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.478117 (E_RNA)
where:
Base-Base interactions energy: -211.354
where: short stacking energy: -83.163
Base-Backbone interact. energy: 0.965
local terms energy: -93.089854
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -19.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -560.724810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.724810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.724810 (E_RNA)
where:
Base-Base interactions energy: -398.721
where: short stacking energy: -158.002
Base-Backbone interact. energy: -0.461
local terms energy: -161.542522
where:
bonds (distance) C4'-P energy: -28.498
bonds (distance) P-C4' energy: -27.166
flat angles C4'-P-C4' energy: -31.998
flat angles P-C4'-P energy: -25.814
tors. eta vs tors. theta energy: -48.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -547.709209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.709209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.709209 (E_RNA)
where:
Base-Base interactions energy: -393.494
where: short stacking energy: -157.509
Base-Backbone interact. energy: -0.003
local terms energy: -154.211944
where:
bonds (distance) C4'-P energy: -30.142
bonds (distance) P-C4' energy: -25.549
flat angles C4'-P-C4' energy: -27.838
flat angles P-C4'-P energy: -25.773
tors. eta vs tors. theta energy: -44.909
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: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -547.696347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.696347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.696347 (E_RNA)
where:
Base-Base interactions energy: -397.425
where: short stacking energy: -153.529
Base-Backbone interact. energy: -0.354
local terms energy: -149.918202
where:
bonds (distance) C4'-P energy: -25.471
bonds (distance) P-C4' energy: -28.469
flat angles C4'-P-C4' energy: -26.490
flat angles P-C4'-P energy: -23.163
tors. eta vs tors. theta energy: -46.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -542.767091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.767091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.767091 (E_RNA)
where:
Base-Base interactions energy: -390.220
where: short stacking energy: -149.969
Base-Backbone interact. energy: -0.801
local terms energy: -151.745719
where:
bonds (distance) C4'-P energy: -25.496
bonds (distance) P-C4' energy: -26.488
flat angles C4'-P-C4' energy: -30.985
flat angles P-C4'-P energy: -22.308
tors. eta vs tors. theta energy: -46.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -540.363961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.363961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.363961 (E_RNA)
where:
Base-Base interactions energy: -396.840
where: short stacking energy: -154.515
Base-Backbone interact. energy: -0.001
local terms energy: -143.522597
where:
bonds (distance) C4'-P energy: -21.749
bonds (distance) P-C4' energy: -25.052
flat angles C4'-P-C4' energy: -30.780
flat angles P-C4'-P energy: -18.868
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: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -524.974321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.974321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.974321 (E_RNA)
where:
Base-Base interactions energy: -390.300
where: short stacking energy: -155.440
Base-Backbone interact. energy: -0.524
local terms energy: -134.150375
where:
bonds (distance) C4'-P energy: -27.570
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -27.470
flat angles P-C4'-P energy: -17.913
tors. eta vs tors. theta energy: -47.978
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: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -524.021767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.021767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.021767 (E_RNA)
where:
Base-Base interactions energy: -382.511
where: short stacking energy: -141.205
Base-Backbone interact. energy: -0.003
local terms energy: -141.507515
where:
bonds (distance) C4'-P energy: -21.692
bonds (distance) P-C4' energy: -26.911
flat angles C4'-P-C4' energy: -28.370
flat angles P-C4'-P energy: -23.284
tors. eta vs tors. theta energy: -41.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -509.445712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.445712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.445712 (E_RNA)
where:
Base-Base interactions energy: -373.177
where: short stacking energy: -151.449
Base-Backbone interact. energy: -0.005
local terms energy: -136.264262
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -29.432
flat angles P-C4'-P energy: -18.421
tors. eta vs tors. theta energy: -43.111
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: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -495.934653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.934653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.934653 (E_RNA)
where:
Base-Base interactions energy: -368.396
where: short stacking energy: -146.204
Base-Backbone interact. energy: -0.031
local terms energy: -127.507565
where:
bonds (distance) C4'-P energy: -20.351
bonds (distance) P-C4' energy: -26.246
flat angles C4'-P-C4' energy: -24.272
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -39.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -293.441568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.441568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.441568 (E_RNA)
where:
Base-Base interactions energy: -196.002
where: short stacking energy: -89.827
Base-Backbone interact. energy: -0.797
local terms energy: -96.641820
where:
bonds (distance) C4'-P energy: -21.343
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -22.630
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -14.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -561.588962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.588962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.588962 (E_RNA)
where:
Base-Base interactions energy: -403.060
where: short stacking energy: -160.444
Base-Backbone interact. energy: -0.400
local terms energy: -158.129042
where:
bonds (distance) C4'-P energy: -22.799
bonds (distance) P-C4' energy: -27.628
flat angles C4'-P-C4' energy: -31.843
flat angles P-C4'-P energy: -26.986
tors. eta vs tors. theta energy: -48.873
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: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -556.288800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.288800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.288800 (E_RNA)
where:
Base-Base interactions energy: -402.879
where: short stacking energy: -156.341
Base-Backbone interact. energy: -0.228
local terms energy: -153.182337
where:
bonds (distance) C4'-P energy: -21.425
bonds (distance) P-C4' energy: -30.511
flat angles C4'-P-C4' energy: -30.403
flat angles P-C4'-P energy: -24.081
tors. eta vs tors. theta energy: -46.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -538.838009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.838009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.838009 (E_RNA)
where:
Base-Base interactions energy: -397.379
where: short stacking energy: -151.521
Base-Backbone interact. energy: -0.872
local terms energy: -140.586563
where:
bonds (distance) C4'-P energy: -26.067
bonds (distance) P-C4' energy: -22.765
flat angles C4'-P-C4' energy: -27.749
flat angles P-C4'-P energy: -20.133
tors. eta vs tors. theta energy: -43.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -544.675912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.675912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.675912 (E_RNA)
where:
Base-Base interactions energy: -396.184
where: short stacking energy: -160.766
Base-Backbone interact. energy: -1.629
local terms energy: -146.863082
where:
bonds (distance) C4'-P energy: -24.384
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -32.222
flat angles P-C4'-P energy: -19.885
tors. eta vs tors. theta energy: -45.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -542.744707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.744707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.744707 (E_RNA)
where:
Base-Base interactions energy: -390.594
where: short stacking energy: -154.463
Base-Backbone interact. energy: -0.016
local terms energy: -152.134090
where:
bonds (distance) C4'-P energy: -26.956
bonds (distance) P-C4' energy: -29.503
flat angles C4'-P-C4' energy: -28.078
flat angles P-C4'-P energy: -23.145
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: 6, replica: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -524.940825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.940825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.940825 (E_RNA)
where:
Base-Base interactions energy: -381.177
where: short stacking energy: -154.020
Base-Backbone interact. energy: -0.383
local terms energy: -143.380510
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -28.652
flat angles C4'-P-C4' energy: -33.008
flat angles P-C4'-P energy: -21.346
tors. eta vs tors. theta energy: -45.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -516.861595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.861595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.861595 (E_RNA)
where:
Base-Base interactions energy: -376.599
where: short stacking energy: -141.293
Base-Backbone interact. energy: -0.063
local terms energy: -140.199534
where:
bonds (distance) C4'-P energy: -22.675
bonds (distance) P-C4' energy: -27.489
flat angles C4'-P-C4' energy: -26.166
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: -42.592
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: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -501.826114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.826114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.826114 (E_RNA)
where:
Base-Base interactions energy: -371.308
where: short stacking energy: -142.665
Base-Backbone interact. energy: -0.121
local terms energy: -130.397440
where:
bonds (distance) C4'-P energy: -22.259
bonds (distance) P-C4' energy: -23.597
flat angles C4'-P-C4' energy: -26.585
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -42.560
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: 9, replica: 10
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -497.764906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.764906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.764906 (E_RNA)
where:
Base-Base interactions energy: -363.458
where: short stacking energy: -141.663
Base-Backbone interact. energy: -0.322
local terms energy: -133.985512
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -23.455
flat angles C4'-P-C4' energy: -26.403
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: -45.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -323.632402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.632402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.632402 (E_RNA)
where:
Base-Base interactions energy: -211.215
where: short stacking energy: -93.449
Base-Backbone interact. energy: -0.197
local terms energy: -112.220510
where:
bonds (distance) C4'-P energy: -25.415
bonds (distance) P-C4' energy: -26.708
flat angles C4'-P-C4' energy: -25.055
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -24.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -560.400745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.400745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.400745 (E_RNA)
where:
Base-Base interactions energy: -402.444
where: short stacking energy: -159.525
Base-Backbone interact. energy: -0.417
local terms energy: -157.539903
where:
bonds (distance) C4'-P energy: -25.502
bonds (distance) P-C4' energy: -28.534
flat angles C4'-P-C4' energy: -31.995
flat angles P-C4'-P energy: -24.346
tors. eta vs tors. theta energy: -47.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -560.105957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.105957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.105957 (E_RNA)
where:
Base-Base interactions energy: -413.626
where: short stacking energy: -165.276
Base-Backbone interact. energy: -1.180
local terms energy: -145.300210
where:
bonds (distance) C4'-P energy: -26.369
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -27.341
flat angles P-C4'-P energy: -22.717
tors. eta vs tors. theta energy: -47.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -547.815914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.815914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.815914 (E_RNA)
where:
Base-Base interactions energy: -399.346
where: short stacking energy: -156.184
Base-Backbone interact. energy: -0.455
local terms energy: -148.014301
where:
bonds (distance) C4'-P energy: -24.140
bonds (distance) P-C4' energy: -28.940
flat angles C4'-P-C4' energy: -29.841
flat angles P-C4'-P energy: -17.586
tors. eta vs tors. theta energy: -47.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -529.852057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.852057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.852057 (E_RNA)
where:
Base-Base interactions energy: -382.278
where: short stacking energy: -142.966
Base-Backbone interact. energy: -0.281
local terms energy: -147.292995
where:
bonds (distance) C4'-P energy: -27.567
bonds (distance) P-C4' energy: -25.184
flat angles C4'-P-C4' energy: -30.859
flat angles P-C4'-P energy: -21.591
tors. eta vs tors. theta energy: -42.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -537.081252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.081252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.081252 (E_RNA)
where:
Base-Base interactions energy: -391.144
where: short stacking energy: -148.529
Base-Backbone interact. energy: -0.882
local terms energy: -145.054798
where:
bonds (distance) C4'-P energy: -27.760
bonds (distance) P-C4' energy: -22.143
flat angles C4'-P-C4' energy: -28.292
flat angles P-C4'-P energy: -20.626
tors. eta vs tors. theta energy: -46.235
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: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -540.735498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.735498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.735498 (E_RNA)
where:
Base-Base interactions energy: -392.330
where: short stacking energy: -149.268
Base-Backbone interact. energy: -0.686
local terms energy: -147.719437
where:
bonds (distance) C4'-P energy: -25.965
bonds (distance) P-C4' energy: -24.066
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: -43.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -531.131313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.131313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.131313 (E_RNA)
where:
Base-Base interactions energy: -386.035
where: short stacking energy: -152.364
Base-Backbone interact. energy: -0.004
local terms energy: -145.093027
where:
bonds (distance) C4'-P energy: -21.857
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -29.866
flat angles P-C4'-P energy: -23.448
tors. eta vs tors. theta energy: -46.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -518.500360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.500360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.500360 (E_RNA)
where:
Base-Base interactions energy: -371.136
where: short stacking energy: -146.020
Base-Backbone interact. energy: 0.488
local terms energy: -147.853048
where:
bonds (distance) C4'-P energy: -24.209
bonds (distance) P-C4' energy: -25.277
flat angles C4'-P-C4' energy: -30.163
flat angles P-C4'-P energy: -23.904
tors. eta vs tors. theta energy: -44.299
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: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -507.229170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.229170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.229170 (E_RNA)
where:
Base-Base interactions energy: -380.140
where: short stacking energy: -143.039
Base-Backbone interact. energy: -0.576
local terms energy: -126.513306
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -31.787
flat angles P-C4'-P energy: -22.212
tors. eta vs tors. theta energy: -43.536
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: 10, replica: 2
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -296.056814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.056814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.056814 (E_RNA)
where:
Base-Base interactions energy: -190.618
where: short stacking energy: -90.254
Base-Backbone interact. energy: -0.157
local terms energy: -105.281894
where:
bonds (distance) C4'-P energy: -26.118
bonds (distance) P-C4' energy: -24.509
flat angles C4'-P-C4' energy: -29.029
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -15.331
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: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -555.956149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.956149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.956149 (E_RNA)
where:
Base-Base interactions energy: -399.892
where: short stacking energy: -159.658
Base-Backbone interact. energy: -0.010
local terms energy: -156.054549
where:
bonds (distance) C4'-P energy: -28.175
bonds (distance) P-C4' energy: -30.308
flat angles C4'-P-C4' energy: -29.910
flat angles P-C4'-P energy: -20.752
tors. eta vs tors. theta energy: -46.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -555.697904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.697904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.697904 (E_RNA)
where:
Base-Base interactions energy: -400.476
where: short stacking energy: -155.712
Base-Backbone interact. energy: -0.655
local terms energy: -154.567664
where:
bonds (distance) C4'-P energy: -29.105
bonds (distance) P-C4' energy: -22.914
flat angles C4'-P-C4' energy: -30.936
flat angles P-C4'-P energy: -25.732
tors. eta vs tors. theta energy: -45.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -553.098726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.098726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.098726 (E_RNA)
where:
Base-Base interactions energy: -398.710
where: short stacking energy: -157.053
Base-Backbone interact. energy: -0.415
local terms energy: -153.973300
where:
bonds (distance) C4'-P energy: -26.865
bonds (distance) P-C4' energy: -25.793
flat angles C4'-P-C4' energy: -30.180
flat angles P-C4'-P energy: -24.030
tors. eta vs tors. theta energy: -47.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -537.287289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.287289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.287289 (E_RNA)
where:
Base-Base interactions energy: -383.240
where: short stacking energy: -153.987
Base-Backbone interact. energy: -0.001
local terms energy: -154.046220
where:
bonds (distance) C4'-P energy: -23.662
bonds (distance) P-C4' energy: -25.763
flat angles C4'-P-C4' energy: -32.794
flat angles P-C4'-P energy: -24.562
tors. eta vs tors. theta energy: -47.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -536.472650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.472650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.472650 (E_RNA)
where:
Base-Base interactions energy: -388.608
where: short stacking energy: -145.486
Base-Backbone interact. energy: -1.940
local terms energy: -145.924681
where:
bonds (distance) C4'-P energy: -26.012
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -32.496
flat angles P-C4'-P energy: -21.348
tors. eta vs tors. theta energy: -44.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -532.844128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.844128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.844128 (E_RNA)
where:
Base-Base interactions energy: -394.759
where: short stacking energy: -160.046
Base-Backbone interact. energy: -0.000
local terms energy: -138.085043
where:
bonds (distance) C4'-P energy: -21.656
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -29.937
flat angles P-C4'-P energy: -22.130
tors. eta vs tors. theta energy: -47.205
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: 7
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -528.796989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.796989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.796989 (E_RNA)
where:
Base-Base interactions energy: -381.525
where: short stacking energy: -147.800
Base-Backbone interact. energy: -0.922
local terms energy: -146.349845
where:
bonds (distance) C4'-P energy: -25.240
bonds (distance) P-C4' energy: -28.439
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -22.071
tors. eta vs tors. theta energy: -45.495
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: 3
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -537.449709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.449709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.449709 (E_RNA)
where:
Base-Base interactions energy: -384.972
where: short stacking energy: -154.920
Base-Backbone interact. energy: -0.537
local terms energy: -151.939801
where:
bonds (distance) C4'-P energy: -27.930
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -30.254
flat angles P-C4'-P energy: -23.343
tors. eta vs tors. theta energy: -46.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -519.782073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.782073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.782073 (E_RNA)
where:
Base-Base interactions energy: -376.042
where: short stacking energy: -145.709
Base-Backbone interact. energy: -0.859
local terms energy: -142.881496
where:
bonds (distance) C4'-P energy: -27.562
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -29.331
flat angles P-C4'-P energy: -21.954
tors. eta vs tors. theta energy: -43.180
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: 381
Temperature: 1.350000
Total energy: -354.069054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.069054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.069054 (E_RNA)
where:
Base-Base interactions energy: -245.617
where: short stacking energy: -94.709
Base-Backbone interact. energy: -1.357
local terms energy: -107.094477
where:
bonds (distance) C4'-P energy: -22.610
bonds (distance) P-C4' energy: -20.420
flat angles C4'-P-C4' energy: -27.761
flat angles P-C4'-P energy: -17.576
tors. eta vs tors. theta energy: -18.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -559.095484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.095484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.095484 (E_RNA)
where:
Base-Base interactions energy: -395.207
where: short stacking energy: -153.359
Base-Backbone interact. energy: -1.375
local terms energy: -162.513261
where:
bonds (distance) C4'-P energy: -30.473
bonds (distance) P-C4' energy: -30.915
flat angles C4'-P-C4' energy: -31.700
flat angles P-C4'-P energy: -21.746
tors. eta vs tors. theta energy: -47.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -559.265120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.265120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.265120 (E_RNA)
where:
Base-Base interactions energy: -401.654
where: short stacking energy: -160.067
Base-Backbone interact. energy: -0.813
local terms energy: -156.797915
where:
bonds (distance) C4'-P energy: -28.303
bonds (distance) P-C4' energy: -26.391
flat angles C4'-P-C4' energy: -31.360
flat angles P-C4'-P energy: -22.876
tors. eta vs tors. theta energy: -47.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -542.218232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.218232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.218232 (E_RNA)
where:
Base-Base interactions energy: -387.329
where: short stacking energy: -153.056
Base-Backbone interact. energy: -0.272
local terms energy: -154.616529
where:
bonds (distance) C4'-P energy: -26.942
bonds (distance) P-C4' energy: -30.481
flat angles C4'-P-C4' energy: -28.570
flat angles P-C4'-P energy: -24.202
tors. eta vs tors. theta energy: -44.420
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: 5
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -552.300535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.300535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.300535 (E_RNA)
where:
Base-Base interactions energy: -390.982
where: short stacking energy: -159.699
Base-Backbone interact. energy: -0.478
local terms energy: -160.840603
where:
bonds (distance) C4'-P energy: -31.628
bonds (distance) P-C4' energy: -24.027
flat angles C4'-P-C4' energy: -33.128
flat angles P-C4'-P energy: -24.798
tors. eta vs tors. theta energy: -47.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -543.986840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.986840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.986840 (E_RNA)
where:
Base-Base interactions energy: -398.417
where: short stacking energy: -157.629
Base-Backbone interact. energy: -0.582
local terms energy: -144.988335
where:
bonds (distance) C4'-P energy: -22.769
bonds (distance) P-C4' energy: -28.523
flat angles C4'-P-C4' energy: -28.177
flat angles P-C4'-P energy: -20.682
tors. eta vs tors. theta energy: -44.838
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: 6, replica: 6
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -529.241424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.241424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.241424 (E_RNA)
where:
Base-Base interactions energy: -396.752
where: short stacking energy: -152.584
Base-Backbone interact. energy: -0.228
local terms energy: -132.261403
where:
bonds (distance) C4'-P energy: -22.994
bonds (distance) P-C4' energy: -24.133
flat angles C4'-P-C4' energy: -28.096
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -45.694
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: 3
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -517.249117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.249117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.249117 (E_RNA)
where:
Base-Base interactions energy: -381.146
where: short stacking energy: -152.609
Base-Backbone interact. energy: 1.584
local terms energy: -137.687514
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -23.934
flat angles C4'-P-C4' energy: -27.444
flat angles P-C4'-P energy: -19.943
tors. eta vs tors. theta energy: -44.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -517.197895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.197895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.197895 (E_RNA)
where:
Base-Base interactions energy: -380.053
where: short stacking energy: -147.349
Base-Backbone interact. energy: -0.130
local terms energy: -137.014879
where:
bonds (distance) C4'-P energy: -28.631
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -24.886
flat angles P-C4'-P energy: -19.842
tors. eta vs tors. theta energy: -42.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -508.462193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.462193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.462193 (E_RNA)
where:
Base-Base interactions energy: -370.856
where: short stacking energy: -138.954
Base-Backbone interact. energy: -0.084
local terms energy: -137.521320
where:
bonds (distance) C4'-P energy: -22.425
bonds (distance) P-C4' energy: -28.672
flat angles C4'-P-C4' energy: -22.554
flat angles P-C4'-P energy: -19.051
tors. eta vs tors. theta energy: -44.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -386.259517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.259517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.259517 (E_RNA)
where:
Base-Base interactions energy: -260.219
where: short stacking energy: -107.805
Base-Backbone interact. energy: -1.279
local terms energy: -124.762179
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -28.104
flat angles C4'-P-C4' energy: -22.950
flat angles P-C4'-P energy: -21.022
tors. eta vs tors. theta energy: -31.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -558.816525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.816525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.816525 (E_RNA)
where:
Base-Base interactions energy: -402.568
where: short stacking energy: -160.455
Base-Backbone interact. energy: -0.972
local terms energy: -155.276261
where:
bonds (distance) C4'-P energy: -23.499
bonds (distance) P-C4' energy: -28.623
flat angles C4'-P-C4' energy: -33.095
flat angles P-C4'-P energy: -24.265
tors. eta vs tors. theta energy: -45.794
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: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -564.077017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.077017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.077017 (E_RNA)
where:
Base-Base interactions energy: -402.642
where: short stacking energy: -159.574
Base-Backbone interact. energy: -0.398
local terms energy: -161.037482
where:
bonds (distance) C4'-P energy: -30.792
bonds (distance) P-C4' energy: -27.004
flat angles C4'-P-C4' energy: -31.932
flat angles P-C4'-P energy: -24.685
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: 3, replica: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -550.589377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.589377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.589377 (E_RNA)
where:
Base-Base interactions energy: -399.209
where: short stacking energy: -155.382
Base-Backbone interact. energy: -2.044
local terms energy: -149.336458
where:
bonds (distance) C4'-P energy: -28.208
bonds (distance) P-C4' energy: -23.606
flat angles C4'-P-C4' energy: -30.182
flat angles P-C4'-P energy: -22.775
tors. eta vs tors. theta energy: -44.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -538.763056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.763056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.763056 (E_RNA)
where:
Base-Base interactions energy: -395.655
where: short stacking energy: -155.437
Base-Backbone interact. energy: -0.460
local terms energy: -142.647912
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -32.314
flat angles P-C4'-P energy: -23.761
tors. eta vs tors. theta energy: -47.858
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: 5, replica: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -536.005071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.005071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.005071 (E_RNA)
where:
Base-Base interactions energy: -396.622
where: short stacking energy: -153.432
Base-Backbone interact. energy: -0.011
local terms energy: -139.372447
where:
bonds (distance) C4'-P energy: -26.018
bonds (distance) P-C4' energy: -21.251
flat angles C4'-P-C4' energy: -28.694
flat angles P-C4'-P energy: -23.446
tors. eta vs tors. theta energy: -39.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -531.592369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.592369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.592369 (E_RNA)
where:
Base-Base interactions energy: -394.026
where: short stacking energy: -150.818
Base-Backbone interact. energy: -0.437
local terms energy: -137.129603
where:
bonds (distance) C4'-P energy: -26.349
bonds (distance) P-C4' energy: -19.826
flat angles C4'-P-C4' energy: -27.767
flat angles P-C4'-P energy: -17.129
tors. eta vs tors. theta energy: -46.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -519.247777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.247777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.247777 (E_RNA)
where:
Base-Base interactions energy: -382.191
where: short stacking energy: -145.873
Base-Backbone interact. energy: -0.272
local terms energy: -136.785187
where:
bonds (distance) C4'-P energy: -24.437
bonds (distance) P-C4' energy: -22.738
flat angles C4'-P-C4' energy: -26.497
flat angles P-C4'-P energy: -21.350
tors. eta vs tors. theta energy: -41.764
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: 383
Temperature: 1.250000
Total energy: -508.935927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.935927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.935927 (E_RNA)
where:
Base-Base interactions energy: -369.276
where: short stacking energy: -141.029
Base-Backbone interact. energy: -1.126
local terms energy: -138.533373
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -31.662
flat angles C4'-P-C4' energy: -21.083
flat angles P-C4'-P energy: -21.293
tors. eta vs tors. theta energy: -43.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -504.028399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.028399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.028399 (E_RNA)
where:
Base-Base interactions energy: -376.125
where: short stacking energy: -139.031
Base-Backbone interact. energy: -0.641
local terms energy: -127.262674
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -26.788
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -41.090
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: 10, replica: 2
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -396.865321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.865321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.865321 (E_RNA)
where:
Base-Base interactions energy: -300.657
where: short stacking energy: -114.332
Base-Backbone interact. energy: -0.068
local terms energy: -96.140260
where:
bonds (distance) C4'-P energy: -5.253
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -21.466
flat angles P-C4'-P energy: -22.004
tors. eta vs tors. theta energy: -27.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -561.866293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.866293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.866293 (E_RNA)
where:
Base-Base interactions energy: -405.673
where: short stacking energy: -162.598
Base-Backbone interact. energy: -0.002
local terms energy: -156.190711
where:
bonds (distance) C4'-P energy: -25.889
bonds (distance) P-C4' energy: -28.161
flat angles C4'-P-C4' energy: -33.143
flat angles P-C4'-P energy: -21.327
tors. eta vs tors. theta energy: -47.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -559.081537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.081537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.081537 (E_RNA)
where:
Base-Base interactions energy: -401.586
where: short stacking energy: -160.461
Base-Backbone interact. energy: -0.285
local terms energy: -157.210897
where:
bonds (distance) C4'-P energy: -27.819
bonds (distance) P-C4' energy: -24.686
flat angles C4'-P-C4' energy: -32.479
flat angles P-C4'-P energy: -25.245
tors. eta vs tors. theta energy: -46.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -548.570928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.570928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.570928 (E_RNA)
where:
Base-Base interactions energy: -401.536
where: short stacking energy: -151.687
Base-Backbone interact. energy: -0.517
local terms energy: -146.517724
where:
bonds (distance) C4'-P energy: -22.372
bonds (distance) P-C4' energy: -22.494
flat angles C4'-P-C4' energy: -34.935
flat angles P-C4'-P energy: -20.270
tors. eta vs tors. theta energy: -46.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -545.037820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.037820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.037820 (E_RNA)
where:
Base-Base interactions energy: -400.021
where: short stacking energy: -155.452
Base-Backbone interact. energy: -0.607
local terms energy: -144.410112
where:
bonds (distance) C4'-P energy: -22.495
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -33.918
flat angles P-C4'-P energy: -23.143
tors. eta vs tors. theta energy: -45.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -534.304481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.304481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.304481 (E_RNA)
where:
Base-Base interactions energy: -385.805
where: short stacking energy: -149.585
Base-Backbone interact. energy: -0.001
local terms energy: -148.498945
where:
bonds (distance) C4'-P energy: -23.780
bonds (distance) P-C4' energy: -29.889
flat angles C4'-P-C4' energy: -28.616
flat angles P-C4'-P energy: -22.310
tors. eta vs tors. theta energy: -43.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -536.594130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.594130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.594130 (E_RNA)
where:
Base-Base interactions energy: -392.991
where: short stacking energy: -155.782
Base-Backbone interact. energy: -1.061
local terms energy: -142.542284
where:
bonds (distance) C4'-P energy: -23.048
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -29.526
flat angles P-C4'-P energy: -23.607
tors. eta vs tors. theta energy: -46.207
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: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -520.934765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.934765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.934765 (E_RNA)
where:
Base-Base interactions energy: -377.746
where: short stacking energy: -141.995
Base-Backbone interact. energy: 0.009
local terms energy: -143.198226
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -28.837
flat angles C4'-P-C4' energy: -28.318
flat angles P-C4'-P energy: -20.276
tors. eta vs tors. theta energy: -45.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -517.827791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.827791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.827791 (E_RNA)
where:
Base-Base interactions energy: -377.827
where: short stacking energy: -143.813
Base-Backbone interact. energy: -0.618
local terms energy: -139.382917
where:
bonds (distance) C4'-P energy: -21.792
bonds (distance) P-C4' energy: -25.289
flat angles C4'-P-C4' energy: -30.287
flat angles P-C4'-P energy: -15.693
tors. eta vs tors. theta energy: -46.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -511.452172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.452172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.452172 (E_RNA)
where:
Base-Base interactions energy: -367.053
where: short stacking energy: -141.178
Base-Backbone interact. energy: -0.007
local terms energy: -144.392683
where:
bonds (distance) C4'-P energy: -25.707
bonds (distance) P-C4' energy: -26.786
flat angles C4'-P-C4' energy: -29.527
flat angles P-C4'-P energy: -17.715
tors. eta vs tors. theta energy: -44.658
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: 384
Temperature: 1.350000
Total energy: -449.593028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.593028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.593028 (E_RNA)
where:
Base-Base interactions energy: -327.632
where: short stacking energy: -128.497
Base-Backbone interact. energy: 0.019
local terms energy: -121.980491
where:
bonds (distance) C4'-P energy: -24.225
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -29.890
flat angles P-C4'-P energy: -18.784
tors. eta vs tors. theta energy: -31.994
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: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -562.398336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.398336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.398336 (E_RNA)
where:
Base-Base interactions energy: -412.785
where: short stacking energy: -161.184
Base-Backbone interact. energy: -1.043
local terms energy: -148.569832
where:
bonds (distance) C4'-P energy: -23.711
bonds (distance) P-C4' energy: -24.335
flat angles C4'-P-C4' energy: -31.122
flat angles P-C4'-P energy: -21.012
tors. eta vs tors. theta energy: -48.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -563.383108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.383108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.383108 (E_RNA)
where:
Base-Base interactions energy: -408.058
where: short stacking energy: -157.718
Base-Backbone interact. energy: -1.766
local terms energy: -153.559809
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -25.546
flat angles C4'-P-C4' energy: -29.997
flat angles P-C4'-P energy: -28.154
tors. eta vs tors. theta energy: -48.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -544.696887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.696887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.696887 (E_RNA)
where:
Base-Base interactions energy: -405.501
where: short stacking energy: -160.676
Base-Backbone interact. energy: -0.582
local terms energy: -138.613294
where:
bonds (distance) C4'-P energy: -25.155
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -27.420
flat angles P-C4'-P energy: -19.837
tors. eta vs tors. theta energy: -47.222
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: 385
Temperature: 1.050000
Total energy: -548.855911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.855911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.855911 (E_RNA)
where:
Base-Base interactions energy: -403.702
where: short stacking energy: -157.885
Base-Backbone interact. energy: 0.723
local terms energy: -145.877549
where:
bonds (distance) C4'-P energy: -23.360
bonds (distance) P-C4' energy: -25.812
flat angles C4'-P-C4' energy: -32.494
flat angles P-C4'-P energy: -20.086
tors. eta vs tors. theta energy: -44.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -535.696547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.696547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.696547 (E_RNA)
where:
Base-Base interactions energy: -385.539
where: short stacking energy: -151.817
Base-Backbone interact. energy: -0.007
local terms energy: -150.150699
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -28.571
flat angles C4'-P-C4' energy: -32.230
flat angles P-C4'-P energy: -22.071
tors. eta vs tors. theta energy: -45.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -524.992603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.992603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.992603 (E_RNA)
where:
Base-Base interactions energy: -372.188
where: short stacking energy: -142.050
Base-Backbone interact. energy: -0.035
local terms energy: -152.769658
where:
bonds (distance) C4'-P energy: -27.252
bonds (distance) P-C4' energy: -26.065
flat angles C4'-P-C4' energy: -31.570
flat angles P-C4'-P energy: -21.864
tors. eta vs tors. theta energy: -46.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -511.953300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.953300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.953300 (E_RNA)
where:
Base-Base interactions energy: -380.694
where: short stacking energy: -148.677
Base-Backbone interact. energy: -0.988
local terms energy: -130.271283
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -20.857
flat angles C4'-P-C4' energy: -25.958
flat angles P-C4'-P energy: -19.871
tors. eta vs tors. theta energy: -44.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -525.391912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.391912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.391912 (E_RNA)
where:
Base-Base interactions energy: -386.559
where: short stacking energy: -146.101
Base-Backbone interact. energy: -0.683
local terms energy: -138.149649
where:
bonds (distance) C4'-P energy: -21.447
bonds (distance) P-C4' energy: -26.248
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -19.169
tors. eta vs tors. theta energy: -48.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -511.013128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.013128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.013128 (E_RNA)
where:
Base-Base interactions energy: -374.475
where: short stacking energy: -140.971
Base-Backbone interact. energy: -0.183
local terms energy: -136.355456
where:
bonds (distance) C4'-P energy: -26.776
bonds (distance) P-C4' energy: -25.955
flat angles C4'-P-C4' energy: -21.769
flat angles P-C4'-P energy: -18.307
tors. eta vs tors. theta energy: -43.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -495.584717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.584717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.584717 (E_RNA)
where:
Base-Base interactions energy: -369.183
where: short stacking energy: -142.011
Base-Backbone interact. energy: -0.052
local terms energy: -126.349862
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -29.346
flat angles P-C4'-P energy: -19.188
tors. eta vs tors. theta energy: -41.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -566.486780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.486780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.486780 (E_RNA)
where:
Base-Base interactions energy: -406.379
where: short stacking energy: -156.363
Base-Backbone interact. energy: -2.014
local terms energy: -158.093602
where:
bonds (distance) C4'-P energy: -29.987
bonds (distance) P-C4' energy: -27.950
flat angles C4'-P-C4' energy: -32.350
flat angles P-C4'-P energy: -22.254
tors. eta vs tors. theta energy: -45.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -560.843696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.843696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.843696 (E_RNA)
where:
Base-Base interactions energy: -403.004
where: short stacking energy: -158.252
Base-Backbone interact. energy: -0.417
local terms energy: -157.422774
where:
bonds (distance) C4'-P energy: -27.171
bonds (distance) P-C4' energy: -28.404
flat angles C4'-P-C4' energy: -29.880
flat angles P-C4'-P energy: -23.999
tors. eta vs tors. theta energy: -47.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -547.684051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.684051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.684051 (E_RNA)
where:
Base-Base interactions energy: -397.230
where: short stacking energy: -157.730
Base-Backbone interact. energy: -0.216
local terms energy: -150.237694
where:
bonds (distance) C4'-P energy: -26.681
bonds (distance) P-C4' energy: -27.296
flat angles C4'-P-C4' energy: -27.835
flat angles P-C4'-P energy: -23.312
tors. eta vs tors. theta energy: -45.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -542.512963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.512963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.512963 (E_RNA)
where:
Base-Base interactions energy: -395.665
where: short stacking energy: -155.379
Base-Backbone interact. energy: -2.487
local terms energy: -144.360900
where:
bonds (distance) C4'-P energy: -27.404
bonds (distance) P-C4' energy: -20.891
flat angles C4'-P-C4' energy: -27.476
flat angles P-C4'-P energy: -22.771
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: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -530.667432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.667432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.667432 (E_RNA)
where:
Base-Base interactions energy: -392.747
where: short stacking energy: -150.100
Base-Backbone interact. energy: 0.241
local terms energy: -138.160646
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -24.220
flat angles C4'-P-C4' energy: -28.670
flat angles P-C4'-P energy: -17.408
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: 6, replica: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -532.071606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.071606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.071606 (E_RNA)
where:
Base-Base interactions energy: -396.769
where: short stacking energy: -158.605
Base-Backbone interact. energy: -0.001
local terms energy: -135.301280
where:
bonds (distance) C4'-P energy: -20.396
bonds (distance) P-C4' energy: -22.752
flat angles C4'-P-C4' energy: -24.846
flat angles P-C4'-P energy: -20.293
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: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -518.091213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.091213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.091213 (E_RNA)
where:
Base-Base interactions energy: -386.564
where: short stacking energy: -152.464
Base-Backbone interact. energy: -1.095
local terms energy: -130.431784
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -21.388
flat angles C4'-P-C4' energy: -26.876
flat angles P-C4'-P energy: -19.411
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: 8, replica: 7
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -501.839601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.839601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.839601 (E_RNA)
where:
Base-Base interactions energy: -363.710
where: short stacking energy: -136.688
Base-Backbone interact. energy: -0.322
local terms energy: -137.807607
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -26.593
flat angles C4'-P-C4' energy: -23.023
flat angles P-C4'-P energy: -19.912
tors. eta vs tors. theta energy: -46.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -506.937439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.937439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.937439 (E_RNA)
where:
Base-Base interactions energy: -374.907
where: short stacking energy: -145.585
Base-Backbone interact. energy: -2.033
local terms energy: -129.998047
where:
bonds (distance) C4'-P energy: -22.815
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -21.830
flat angles P-C4'-P energy: -21.047
tors. eta vs tors. theta energy: -43.482
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: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -503.808085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.808085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.808085 (E_RNA)
where:
Base-Base interactions energy: -366.054
where: short stacking energy: -148.177
Base-Backbone interact. energy: -0.259
local terms energy: -137.495578
where:
bonds (distance) C4'-P energy: -24.279
bonds (distance) P-C4' energy: -25.088
flat angles C4'-P-C4' energy: -30.832
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: -40.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -573.515197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.515197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.515197 (E_RNA)
where:
Base-Base interactions energy: -417.340
where: short stacking energy: -165.580
Base-Backbone interact. energy: -0.665
local terms energy: -155.509736
where:
bonds (distance) C4'-P energy: -27.309
bonds (distance) P-C4' energy: -28.792
flat angles C4'-P-C4' energy: -30.160
flat angles P-C4'-P energy: -22.099
tors. eta vs tors. theta energy: -47.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -554.238043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.238043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.238043 (E_RNA)
where:
Base-Base interactions energy: -401.230
where: short stacking energy: -159.828
Base-Backbone interact. energy: -0.552
local terms energy: -152.456237
where:
bonds (distance) C4'-P energy: -21.790
bonds (distance) P-C4' energy: -30.538
flat angles C4'-P-C4' energy: -31.516
flat angles P-C4'-P energy: -23.395
tors. eta vs tors. theta energy: -45.217
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: 1
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -544.420950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.420950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.420950 (E_RNA)
where:
Base-Base interactions energy: -396.424
where: short stacking energy: -154.007
Base-Backbone interact. energy: -0.543
local terms energy: -147.454402
where:
bonds (distance) C4'-P energy: -26.527
bonds (distance) P-C4' energy: -26.754
flat angles C4'-P-C4' energy: -29.544
flat angles P-C4'-P energy: -20.345
tors. eta vs tors. theta energy: -44.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -537.935172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.935172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.935172 (E_RNA)
where:
Base-Base interactions energy: -394.413
where: short stacking energy: -148.394
Base-Backbone interact. energy: -0.038
local terms energy: -143.484531
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -26.499
flat angles C4'-P-C4' energy: -29.619
flat angles P-C4'-P energy: -20.488
tors. eta vs tors. theta energy: -45.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -533.224266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.224266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.224266 (E_RNA)
where:
Base-Base interactions energy: -380.604
where: short stacking energy: -147.767
Base-Backbone interact. energy: -0.020
local terms energy: -152.600146
where:
bonds (distance) C4'-P energy: -26.104
bonds (distance) P-C4' energy: -27.309
flat angles C4'-P-C4' energy: -30.777
flat angles P-C4'-P energy: -24.498
tors. eta vs tors. theta energy: -43.912
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: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -528.733010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.733010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.733010 (E_RNA)
where:
Base-Base interactions energy: -388.257
where: short stacking energy: -144.538
Base-Backbone interact. energy: -0.012
local terms energy: -140.464712
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -24.749
flat angles C4'-P-C4' energy: -30.006
flat angles P-C4'-P energy: -15.440
tors. eta vs tors. theta energy: -46.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -519.903461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.903461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.903461 (E_RNA)
where:
Base-Base interactions energy: -383.961
where: short stacking energy: -143.770
Base-Backbone interact. energy: -0.031
local terms energy: -135.911772
where:
bonds (distance) C4'-P energy: -26.145
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -21.474
tors. eta vs tors. theta energy: -40.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -513.616186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.616186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.616186 (E_RNA)
where:
Base-Base interactions energy: -375.934
where: short stacking energy: -147.060
Base-Backbone interact. energy: -0.684
local terms energy: -136.998992
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -24.289
flat angles C4'-P-C4' energy: -27.577
flat angles P-C4'-P energy: -20.332
tors. eta vs tors. theta energy: -43.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -504.247514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.247514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.247514 (E_RNA)
where:
Base-Base interactions energy: -371.159
where: short stacking energy: -137.109
Base-Backbone interact. energy: 0.203
local terms energy: -133.291247
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -28.313
flat angles P-C4'-P energy: -21.658
tors. eta vs tors. theta energy: -43.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -488.327550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.327550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.327550 (E_RNA)
where:
Base-Base interactions energy: -353.246
where: short stacking energy: -138.647
Base-Backbone interact. energy: -0.928
local terms energy: -134.153045
where:
bonds (distance) C4'-P energy: -26.058
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -26.939
flat angles P-C4'-P energy: -20.051
tors. eta vs tors. theta energy: -39.580
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: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -566.513942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.513942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.513942 (E_RNA)
where:
Base-Base interactions energy: -407.752
where: short stacking energy: -158.594
Base-Backbone interact. energy: -0.578
local terms energy: -158.184292
where:
bonds (distance) C4'-P energy: -26.063
bonds (distance) P-C4' energy: -27.726
flat angles C4'-P-C4' energy: -32.682
flat angles P-C4'-P energy: -26.263
tors. eta vs tors. theta energy: -45.451
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: 8
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -558.927824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.927824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.927824 (E_RNA)
where:
Base-Base interactions energy: -395.006
where: short stacking energy: -153.474
Base-Backbone interact. energy: -0.166
local terms energy: -163.755793
where:
bonds (distance) C4'-P energy: -29.935
bonds (distance) P-C4' energy: -30.491
flat angles C4'-P-C4' energy: -32.373
flat angles P-C4'-P energy: -25.128
tors. eta vs tors. theta energy: -45.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -550.144135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.144135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.144135 (E_RNA)
where:
Base-Base interactions energy: -403.216
where: short stacking energy: -156.081
Base-Backbone interact. energy: -0.172
local terms energy: -146.755713
where:
bonds (distance) C4'-P energy: -26.498
bonds (distance) P-C4' energy: -23.622
flat angles C4'-P-C4' energy: -30.936
flat angles P-C4'-P energy: -17.402
tors. eta vs tors. theta energy: -48.298
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: 4, replica: 1
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -544.897787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.897787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.897787 (E_RNA)
where:
Base-Base interactions energy: -393.275
where: short stacking energy: -152.166
Base-Backbone interact. energy: -0.015
local terms energy: -151.608040
where:
bonds (distance) C4'-P energy: -26.446
bonds (distance) P-C4' energy: -28.249
flat angles C4'-P-C4' energy: -27.689
flat angles P-C4'-P energy: -22.734
tors. eta vs tors. theta energy: -46.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -534.272609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.272609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.272609 (E_RNA)
where:
Base-Base interactions energy: -388.861
where: short stacking energy: -150.602
Base-Backbone interact. energy: -0.044
local terms energy: -145.367938
where:
bonds (distance) C4'-P energy: -25.034
bonds (distance) P-C4' energy: -23.904
flat angles C4'-P-C4' energy: -28.887
flat angles P-C4'-P energy: -21.818
tors. eta vs tors. theta energy: -45.725
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: 6
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -535.949472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.949472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.949472 (E_RNA)
where:
Base-Base interactions energy: -384.456
where: short stacking energy: -154.418
Base-Backbone interact. energy: -0.082
local terms energy: -151.411068
where:
bonds (distance) C4'-P energy: -25.462
bonds (distance) P-C4' energy: -30.707
flat angles C4'-P-C4' energy: -29.145
flat angles P-C4'-P energy: -19.214
tors. eta vs tors. theta energy: -46.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -510.601759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.601759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.601759 (E_RNA)
where:
Base-Base interactions energy: -372.690
where: short stacking energy: -144.154
Base-Backbone interact. energy: -0.561
local terms energy: -137.350449
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -28.505
flat angles C4'-P-C4' energy: -24.184
flat angles P-C4'-P energy: -19.675
tors. eta vs tors. theta energy: -46.068
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: 3
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -504.322152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.322152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.322152 (E_RNA)
where:
Base-Base interactions energy: -368.347
where: short stacking energy: -138.765
Base-Backbone interact. energy: -0.000
local terms energy: -135.975128
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -24.183
flat angles C4'-P-C4' energy: -27.789
flat angles P-C4'-P energy: -17.494
tors. eta vs tors. theta energy: -48.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -505.152679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.152679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.152679 (E_RNA)
where:
Base-Base interactions energy: -375.805
where: short stacking energy: -146.661
Base-Backbone interact. energy: -0.579
local terms energy: -128.768183
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -25.106
flat angles C4'-P-C4' energy: -25.532
flat angles P-C4'-P energy: -17.109
tors. eta vs tors. theta energy: -40.642
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: 10, replica: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -506.597703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.597703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.597703 (E_RNA)
where:
Base-Base interactions energy: -373.670
where: short stacking energy: -143.655
Base-Backbone interact. energy: -0.003
local terms energy: -132.924878
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -25.293
flat angles C4'-P-C4' energy: -27.090
flat angles P-C4'-P energy: -19.366
tors. eta vs tors. theta energy: -46.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -562.993042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.993042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.993042 (E_RNA)
where:
Base-Base interactions energy: -405.350
where: short stacking energy: -162.435
Base-Backbone interact. energy: -0.602
local terms energy: -157.040366
where:
bonds (distance) C4'-P energy: -30.792
bonds (distance) P-C4' energy: -23.745
flat angles C4'-P-C4' energy: -31.785
flat angles P-C4'-P energy: -24.607
tors. eta vs tors. theta energy: -46.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -554.756061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.756061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.756061 (E_RNA)
where:
Base-Base interactions energy: -394.811
where: short stacking energy: -150.599
Base-Backbone interact. energy: -0.879
local terms energy: -159.065499
where:
bonds (distance) C4'-P energy: -28.313
bonds (distance) P-C4' energy: -30.824
flat angles C4'-P-C4' energy: -33.436
flat angles P-C4'-P energy: -22.772
tors. eta vs tors. theta energy: -43.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -549.192119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.192119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.192119 (E_RNA)
where:
Base-Base interactions energy: -397.668
where: short stacking energy: -160.560
Base-Backbone interact. energy: -0.002
local terms energy: -151.521516
where:
bonds (distance) C4'-P energy: -26.762
bonds (distance) P-C4' energy: -24.333
flat angles C4'-P-C4' energy: -31.627
flat angles P-C4'-P energy: -21.178
tors. eta vs tors. theta energy: -47.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -539.084691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.084691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.084691 (E_RNA)
where:
Base-Base interactions energy: -393.519
where: short stacking energy: -153.121
Base-Backbone interact. energy: -0.754
local terms energy: -144.811759
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -28.239
flat angles C4'-P-C4' energy: -29.921
flat angles P-C4'-P energy: -24.878
tors. eta vs tors. theta energy: -42.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -536.695678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.695678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.695678 (E_RNA)
where:
Base-Base interactions energy: -389.421
where: short stacking energy: -156.083
Base-Backbone interact. energy: -1.371
local terms energy: -145.903853
where:
bonds (distance) C4'-P energy: -26.912
bonds (distance) P-C4' energy: -25.450
flat angles C4'-P-C4' energy: -30.609
flat angles P-C4'-P energy: -16.838
tors. eta vs tors. theta energy: -46.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -522.353743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.353743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.353743 (E_RNA)
where:
Base-Base interactions energy: -379.359
where: short stacking energy: -148.283
Base-Backbone interact. energy: -0.272
local terms energy: -142.722973
where:
bonds (distance) C4'-P energy: -27.736
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -29.831
flat angles P-C4'-P energy: -21.225
tors. eta vs tors. theta energy: -42.582
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: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -516.861205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.861205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.861205 (E_RNA)
where:
Base-Base interactions energy: -381.094
where: short stacking energy: -146.346
Base-Backbone interact. energy: -0.097
local terms energy: -135.669735
where:
bonds (distance) C4'-P energy: -23.178
bonds (distance) P-C4' energy: -26.066
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -19.270
tors. eta vs tors. theta energy: -44.794
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: 389
Temperature: 1.250000
Total energy: -507.021713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.021713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.021713 (E_RNA)
where:
Base-Base interactions energy: -366.583
where: short stacking energy: -140.013
Base-Backbone interact. energy: -1.630
local terms energy: -138.808902
where:
bonds (distance) C4'-P energy: -24.322
bonds (distance) P-C4' energy: -25.771
flat angles C4'-P-C4' energy: -23.340
flat angles P-C4'-P energy: -21.928
tors. eta vs tors. theta energy: -43.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -506.174440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.174440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.174440 (E_RNA)
where:
Base-Base interactions energy: -375.497
where: short stacking energy: -146.868
Base-Backbone interact. energy: -0.575
local terms energy: -130.102645
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -24.894
flat angles C4'-P-C4' energy: -24.761
flat angles P-C4'-P energy: -18.374
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: 10, replica: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -507.633098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.633098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.633098 (E_RNA)
where:
Base-Base interactions energy: -374.542
where: short stacking energy: -144.105
Base-Backbone interact. energy: -0.674
local terms energy: -132.416767
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -31.525
flat angles P-C4'-P energy: -18.990
tors. eta vs tors. theta energy: -45.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -569.814095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.814095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.814095 (E_RNA)
where:
Base-Base interactions energy: -408.954
where: short stacking energy: -161.534
Base-Backbone interact. energy: -0.001
local terms energy: -160.859990
where:
bonds (distance) C4'-P energy: -30.365
bonds (distance) P-C4' energy: -31.157
flat angles C4'-P-C4' energy: -28.670
flat angles P-C4'-P energy: -21.785
tors. eta vs tors. theta energy: -48.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -553.342852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.342852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.342852 (E_RNA)
where:
Base-Base interactions energy: -408.284
where: short stacking energy: -153.160
Base-Backbone interact. energy: -0.555
local terms energy: -144.504133
where:
bonds (distance) C4'-P energy: -29.202
bonds (distance) P-C4' energy: -24.756
flat angles C4'-P-C4' energy: -29.303
flat angles P-C4'-P energy: -16.708
tors. eta vs tors. theta energy: -44.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -548.339466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.339466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.339466 (E_RNA)
where:
Base-Base interactions energy: -401.639
where: short stacking energy: -156.373
Base-Backbone interact. energy: -0.758
local terms energy: -145.942608
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -28.878
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -18.376
tors. eta vs tors. theta energy: -46.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -545.784620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.784620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.784620 (E_RNA)
where:
Base-Base interactions energy: -399.042
where: short stacking energy: -152.175
Base-Backbone interact. energy: -0.261
local terms energy: -146.481284
where:
bonds (distance) C4'-P energy: -24.920
bonds (distance) P-C4' energy: -28.654
flat angles C4'-P-C4' energy: -28.147
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -47.362
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: 2
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -551.742034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.742034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.742034 (E_RNA)
where:
Base-Base interactions energy: -405.435
where: short stacking energy: -159.532
Base-Backbone interact. energy: -2.371
local terms energy: -143.935905
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -22.999
flat angles C4'-P-C4' energy: -30.163
flat angles P-C4'-P energy: -22.802
tors. eta vs tors. theta energy: -45.521
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: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -528.657378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.657378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.657378 (E_RNA)
where:
Base-Base interactions energy: -378.472
where: short stacking energy: -150.540
Base-Backbone interact. energy: -0.318
local terms energy: -149.867522
where:
bonds (distance) C4'-P energy: -28.610
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -31.511
flat angles P-C4'-P energy: -18.924
tors. eta vs tors. theta energy: -47.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -531.084340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.084340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.084340 (E_RNA)
where:
Base-Base interactions energy: -389.289
where: short stacking energy: -149.345
Base-Backbone interact. energy: -1.000
local terms energy: -140.796002
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -29.379
flat angles P-C4'-P energy: -23.848
tors. eta vs tors. theta energy: -46.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -505.779539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.779539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.779539 (E_RNA)
where:
Base-Base interactions energy: -368.501
where: short stacking energy: -140.506
Base-Backbone interact. energy: -0.772
local terms energy: -136.506575
where:
bonds (distance) C4'-P energy: -29.577
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -23.768
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -43.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -502.062148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.062148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.062148 (E_RNA)
where:
Base-Base interactions energy: -374.285
where: short stacking energy: -144.688
Base-Backbone interact. energy: -1.608
local terms energy: -126.169333
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -27.111
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -43.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -478.569811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.569811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.569811 (E_RNA)
where:
Base-Base interactions energy: -358.435
where: short stacking energy: -142.305
Base-Backbone interact. energy: -0.006
local terms energy: -120.128479
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -24.709
flat angles P-C4'-P energy: -16.618
tors. eta vs tors. theta energy: -41.704
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: 4
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -568.054033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.054033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.054033 (E_RNA)
where:
Base-Base interactions energy: -405.699
where: short stacking energy: -161.486
Base-Backbone interact. energy: -0.746
local terms energy: -161.609753
where:
bonds (distance) C4'-P energy: -30.087
bonds (distance) P-C4' energy: -28.958
flat angles C4'-P-C4' energy: -35.745
flat angles P-C4'-P energy: -20.343
tors. eta vs tors. theta energy: -46.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -552.546920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.546920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.546920 (E_RNA)
where:
Base-Base interactions energy: -399.953
where: short stacking energy: -158.411
Base-Backbone interact. energy: -0.618
local terms energy: -151.976288
where:
bonds (distance) C4'-P energy: -25.302
bonds (distance) P-C4' energy: -27.171
flat angles C4'-P-C4' energy: -31.787
flat angles P-C4'-P energy: -22.501
tors. eta vs tors. theta energy: -45.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -532.413083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.413083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.413083 (E_RNA)
where:
Base-Base interactions energy: -383.570
where: short stacking energy: -151.789
Base-Backbone interact. energy: -0.001
local terms energy: -148.841454
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -29.731
flat angles C4'-P-C4' energy: -29.424
flat angles P-C4'-P energy: -26.829
tors. eta vs tors. theta energy: -42.496
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: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -541.383510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.383510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.383510 (E_RNA)
where:
Base-Base interactions energy: -389.097
where: short stacking energy: -155.765
Base-Backbone interact. energy: -0.170
local terms energy: -152.116377
where:
bonds (distance) C4'-P energy: -26.864
bonds (distance) P-C4' energy: -26.743
flat angles C4'-P-C4' energy: -29.505
flat angles P-C4'-P energy: -24.057
tors. eta vs tors. theta energy: -44.947
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: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -532.468560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.468560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.468560 (E_RNA)
where:
Base-Base interactions energy: -394.066
where: short stacking energy: -158.493
Base-Backbone interact. energy: -0.311
local terms energy: -138.091474
where:
bonds (distance) C4'-P energy: -21.717
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -28.482
flat angles P-C4'-P energy: -21.839
tors. eta vs tors. theta energy: -45.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -529.532208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.532208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.532208 (E_RNA)
where:
Base-Base interactions energy: -389.074
where: short stacking energy: -150.377
Base-Backbone interact. energy: -0.143
local terms energy: -140.314847
where:
bonds (distance) C4'-P energy: -24.201
bonds (distance) P-C4' energy: -25.263
flat angles C4'-P-C4' energy: -29.217
flat angles P-C4'-P energy: -16.786
tors. eta vs tors. theta energy: -44.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -510.364576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.364576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.364576 (E_RNA)
where:
Base-Base interactions energy: -374.844
where: short stacking energy: -143.833
Base-Backbone interact. energy: -0.002
local terms energy: -135.518797
where:
bonds (distance) C4'-P energy: -25.812
bonds (distance) P-C4' energy: -23.824
flat angles C4'-P-C4' energy: -23.487
flat angles P-C4'-P energy: -19.395
tors. eta vs tors. theta energy: -43.000
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: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -518.775546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.775546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.775546 (E_RNA)
where:
Base-Base interactions energy: -377.868
where: short stacking energy: -147.543
Base-Backbone interact. energy: -0.376
local terms energy: -140.531666
where:
bonds (distance) C4'-P energy: -32.027
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -25.739
flat angles P-C4'-P energy: -21.508
tors. eta vs tors. theta energy: -41.695
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: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -492.711779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.711779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.711779 (E_RNA)
where:
Base-Base interactions energy: -367.251
where: short stacking energy: -145.612
Base-Backbone interact. energy: 0.423
local terms energy: -125.884026
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -18.733
flat angles C4'-P-C4' energy: -27.982
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -43.622
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: 3
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -486.455492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.455492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.455492 (E_RNA)
where:
Base-Base interactions energy: -361.032
where: short stacking energy: -131.740
Base-Backbone interact. energy: -0.064
local terms energy: -125.358991
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -29.138
flat angles P-C4'-P energy: -18.284
tors. eta vs tors. theta energy: -40.283
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: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -560.025464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.025464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.025464 (E_RNA)
where:
Base-Base interactions energy: -409.895
where: short stacking energy: -155.730
Base-Backbone interact. energy: 0.219
local terms energy: -150.349024
where:
bonds (distance) C4'-P energy: -22.183
bonds (distance) P-C4' energy: -27.631
flat angles C4'-P-C4' energy: -29.033
flat angles P-C4'-P energy: -22.476
tors. eta vs tors. theta energy: -49.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -565.158359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.158359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.158359 (E_RNA)
where:
Base-Base interactions energy: -410.513
where: short stacking energy: -162.283
Base-Backbone interact. energy: -0.101
local terms energy: -154.544341
where:
bonds (distance) C4'-P energy: -26.718
bonds (distance) P-C4' energy: -24.207
flat angles C4'-P-C4' energy: -30.831
flat angles P-C4'-P energy: -24.855
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: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -550.090246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.090246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.090246 (E_RNA)
where:
Base-Base interactions energy: -399.270
where: short stacking energy: -159.129
Base-Backbone interact. energy: -0.003
local terms energy: -150.817115
where:
bonds (distance) C4'-P energy: -31.127
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -29.696
flat angles P-C4'-P energy: -21.809
tors. eta vs tors. theta energy: -47.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -533.628863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.628863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.628863 (E_RNA)
where:
Base-Base interactions energy: -382.280
where: short stacking energy: -149.812
Base-Backbone interact. energy: -0.200
local terms energy: -151.148800
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -29.349
flat angles C4'-P-C4' energy: -33.390
flat angles P-C4'-P energy: -21.305
tors. eta vs tors. theta energy: -44.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -529.481610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.481610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.481610 (E_RNA)
where:
Base-Base interactions energy: -383.022
where: short stacking energy: -147.407
Base-Backbone interact. energy: -0.734
local terms energy: -145.725300
where:
bonds (distance) C4'-P energy: -26.949
bonds (distance) P-C4' energy: -24.989
flat angles C4'-P-C4' energy: -25.775
flat angles P-C4'-P energy: -22.840
tors. eta vs tors. theta energy: -45.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -513.062031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.062031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.062031 (E_RNA)
where:
Base-Base interactions energy: -370.399
where: short stacking energy: -146.079
Base-Backbone interact. energy: -0.396
local terms energy: -142.267302
where:
bonds (distance) C4'-P energy: -22.163
bonds (distance) P-C4' energy: -23.715
flat angles C4'-P-C4' energy: -32.092
flat angles P-C4'-P energy: -18.584
tors. eta vs tors. theta energy: -45.713
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: 392
Temperature: 1.200000
Total energy: -519.544398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.544398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.544398 (E_RNA)
where:
Base-Base interactions energy: -372.274
where: short stacking energy: -144.016
Base-Backbone interact. energy: -0.419
local terms energy: -146.851340
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -21.899
flat angles C4'-P-C4' energy: -30.068
flat angles P-C4'-P energy: -21.466
tors. eta vs tors. theta energy: -44.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -500.350515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.350515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.350515 (E_RNA)
where:
Base-Base interactions energy: -366.285
where: short stacking energy: -142.121
Base-Backbone interact. energy: -0.122
local terms energy: -133.942787
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -26.146
flat angles C4'-P-C4' energy: -27.576
flat angles P-C4'-P energy: -22.297
tors. eta vs tors. theta energy: -43.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -494.871973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.871973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.871973 (E_RNA)
where:
Base-Base interactions energy: -368.121
where: short stacking energy: -136.895
Base-Backbone interact. energy: -1.226
local terms energy: -125.524582
where:
bonds (distance) C4'-P energy: -21.837
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -26.155
flat angles P-C4'-P energy: -19.473
tors. eta vs tors. theta energy: -39.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -489.917487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.917487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.917487 (E_RNA)
where:
Base-Base interactions energy: -355.539
where: short stacking energy: -135.035
Base-Backbone interact. energy: -0.010
local terms energy: -134.368089
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -21.799
flat angles C4'-P-C4' energy: -29.120
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -44.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -559.969950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.969950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.969950 (E_RNA)
where:
Base-Base interactions energy: -408.622
where: short stacking energy: -158.955
Base-Backbone interact. energy: -0.001
local terms energy: -151.346806
where:
bonds (distance) C4'-P energy: -28.170
bonds (distance) P-C4' energy: -24.978
flat angles C4'-P-C4' energy: -28.248
flat angles P-C4'-P energy: -22.755
tors. eta vs tors. theta energy: -47.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -553.081117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.081117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.081117 (E_RNA)
where:
Base-Base interactions energy: -403.174
where: short stacking energy: -160.931
Base-Backbone interact. energy: -0.002
local terms energy: -149.905141
where:
bonds (distance) C4'-P energy: -27.744
bonds (distance) P-C4' energy: -24.597
flat angles C4'-P-C4' energy: -29.733
flat angles P-C4'-P energy: -20.089
tors. eta vs tors. theta energy: -47.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -548.983008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.983008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.983008 (E_RNA)
where:
Base-Base interactions energy: -396.362
where: short stacking energy: -152.078
Base-Backbone interact. energy: -0.094
local terms energy: -152.526444
where:
bonds (distance) C4'-P energy: -28.323
bonds (distance) P-C4' energy: -28.035
flat angles C4'-P-C4' energy: -28.085
flat angles P-C4'-P energy: -24.555
tors. eta vs tors. theta energy: -43.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -544.419319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.419319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.419319 (E_RNA)
where:
Base-Base interactions energy: -398.268
where: short stacking energy: -156.833
Base-Backbone interact. energy: -0.298
local terms energy: -145.853393
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -27.960
flat angles P-C4'-P energy: -23.116
tors. eta vs tors. theta energy: -47.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -538.654430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.654430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.654430 (E_RNA)
where:
Base-Base interactions energy: -386.655
where: short stacking energy: -151.084
Base-Backbone interact. energy: -1.704
local terms energy: -150.295916
where:
bonds (distance) C4'-P energy: -24.314
bonds (distance) P-C4' energy: -28.738
flat angles C4'-P-C4' energy: -32.225
flat angles P-C4'-P energy: -20.761
tors. eta vs tors. theta energy: -44.258
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: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -518.346040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.346040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.346040 (E_RNA)
where:
Base-Base interactions energy: -378.089
where: short stacking energy: -152.916
Base-Backbone interact. energy: -0.641
local terms energy: -139.616206
where:
bonds (distance) C4'-P energy: -27.098
bonds (distance) P-C4' energy: -24.574
flat angles C4'-P-C4' energy: -29.387
flat angles P-C4'-P energy: -12.064
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: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -529.176852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.176852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.176852 (E_RNA)
where:
Base-Base interactions energy: -383.770
where: short stacking energy: -147.362
Base-Backbone interact. energy: -1.087
local terms energy: -144.319853
where:
bonds (distance) C4'-P energy: -25.984
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -30.510
flat angles P-C4'-P energy: -24.213
tors. eta vs tors. theta energy: -43.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -511.785168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.785168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.785168 (E_RNA)
where:
Base-Base interactions energy: -370.831
where: short stacking energy: -137.379
Base-Backbone interact. energy: -0.005
local terms energy: -140.949118
where:
bonds (distance) C4'-P energy: -26.820
bonds (distance) P-C4' energy: -25.558
flat angles C4'-P-C4' energy: -26.911
flat angles P-C4'-P energy: -19.890
tors. eta vs tors. theta energy: -41.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -516.391910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.391910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.391910 (E_RNA)
where:
Base-Base interactions energy: -380.105
where: short stacking energy: -147.550
Base-Backbone interact. energy: -0.111
local terms energy: -136.175270
where:
bonds (distance) C4'-P energy: -24.303
bonds (distance) P-C4' energy: -23.631
flat angles C4'-P-C4' energy: -28.171
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -43.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -476.467359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.467359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.467359 (E_RNA)
where:
Base-Base interactions energy: -352.137
where: short stacking energy: -133.331
Base-Backbone interact. energy: -0.809
local terms energy: -123.521113
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -27.045
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: -40.501
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: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -558.857785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.857785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.857785 (E_RNA)
where:
Base-Base interactions energy: -401.511
where: short stacking energy: -147.975
Base-Backbone interact. energy: -0.439
local terms energy: -156.908520
where:
bonds (distance) C4'-P energy: -28.842
bonds (distance) P-C4' energy: -26.603
flat angles C4'-P-C4' energy: -32.418
flat angles P-C4'-P energy: -26.869
tors. eta vs tors. theta energy: -42.177
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: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -560.807140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.807140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.807140 (E_RNA)
where:
Base-Base interactions energy: -402.633
where: short stacking energy: -160.001
Base-Backbone interact. energy: -0.281
local terms energy: -157.893822
where:
bonds (distance) C4'-P energy: -26.758
bonds (distance) P-C4' energy: -25.642
flat angles C4'-P-C4' energy: -31.729
flat angles P-C4'-P energy: -27.648
tors. eta vs tors. theta energy: -46.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -553.408076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.408076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.408076 (E_RNA)
where:
Base-Base interactions energy: -402.310
where: short stacking energy: -159.975
Base-Backbone interact. energy: -0.571
local terms energy: -150.527543
where:
bonds (distance) C4'-P energy: -23.972
bonds (distance) P-C4' energy: -26.885
flat angles C4'-P-C4' energy: -28.308
flat angles P-C4'-P energy: -24.099
tors. eta vs tors. theta energy: -47.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -543.004655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.004655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.004655 (E_RNA)
where:
Base-Base interactions energy: -394.673
where: short stacking energy: -160.518
Base-Backbone interact. energy: -0.332
local terms energy: -147.999947
where:
bonds (distance) C4'-P energy: -22.399
bonds (distance) P-C4' energy: -28.034
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -19.840
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: 5, replica: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -531.264839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.264839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.264839 (E_RNA)
where:
Base-Base interactions energy: -395.875
where: short stacking energy: -153.134
Base-Backbone interact. energy: -0.009
local terms energy: -135.380474
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -27.015
flat angles P-C4'-P energy: -15.807
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: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -527.041132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.041132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.041132 (E_RNA)
where:
Base-Base interactions energy: -383.765
where: short stacking energy: -150.794
Base-Backbone interact. energy: -0.626
local terms energy: -142.649857
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -26.789
flat angles P-C4'-P energy: -25.728
tors. eta vs tors. theta energy: -46.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -524.037359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.037359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.037359 (E_RNA)
where:
Base-Base interactions energy: -379.632
where: short stacking energy: -153.569
Base-Backbone interact. energy: -0.002
local terms energy: -144.402954
where:
bonds (distance) C4'-P energy: -19.518
bonds (distance) P-C4' energy: -24.348
flat angles C4'-P-C4' energy: -29.520
flat angles P-C4'-P energy: -25.306
tors. eta vs tors. theta energy: -45.711
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: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -518.571291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.571291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.571291 (E_RNA)
where:
Base-Base interactions energy: -373.786
where: short stacking energy: -141.307
Base-Backbone interact. energy: -0.701
local terms energy: -144.084688
where:
bonds (distance) C4'-P energy: -22.313
bonds (distance) P-C4' energy: -24.860
flat angles C4'-P-C4' energy: -28.015
flat angles P-C4'-P energy: -23.850
tors. eta vs tors. theta energy: -45.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -503.728369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.728369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.728369 (E_RNA)
where:
Base-Base interactions energy: -374.251
where: short stacking energy: -145.505
Base-Backbone interact. energy: -0.003
local terms energy: -129.474493
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -23.657
flat angles C4'-P-C4' energy: -23.606
flat angles P-C4'-P energy: -17.290
tors. eta vs tors. theta energy: -46.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -481.308012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.308012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.308012 (E_RNA)
where:
Base-Base interactions energy: -352.709
where: short stacking energy: -126.485
Base-Backbone interact. energy: -1.151
local terms energy: -127.447861
where:
bonds (distance) C4'-P energy: -23.403
bonds (distance) P-C4' energy: -25.223
flat angles C4'-P-C4' energy: -24.668
flat angles P-C4'-P energy: -16.146
tors. eta vs tors. theta energy: -38.008
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: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -568.638563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.638563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.638563 (E_RNA)
where:
Base-Base interactions energy: -404.977
where: short stacking energy: -155.729
Base-Backbone interact. energy: -0.466
local terms energy: -163.195865
where:
bonds (distance) C4'-P energy: -29.417
bonds (distance) P-C4' energy: -33.166
flat angles C4'-P-C4' energy: -30.601
flat angles P-C4'-P energy: -22.596
tors. eta vs tors. theta energy: -47.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -559.241724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.241724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.241724 (E_RNA)
where:
Base-Base interactions energy: -403.730
where: short stacking energy: -159.018
Base-Backbone interact. energy: -0.533
local terms energy: -154.978063
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -32.073
flat angles C4'-P-C4' energy: -30.667
flat angles P-C4'-P energy: -22.985
tors. eta vs tors. theta energy: -47.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -557.123589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.123589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.123589 (E_RNA)
where:
Base-Base interactions energy: -409.951
where: short stacking energy: -162.952
Base-Backbone interact. energy: -0.466
local terms energy: -146.706920
where:
bonds (distance) C4'-P energy: -24.705
bonds (distance) P-C4' energy: -27.827
flat angles C4'-P-C4' energy: -27.965
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: -45.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -538.589100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.589100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.589100 (E_RNA)
where:
Base-Base interactions energy: -397.178
where: short stacking energy: -152.028
Base-Backbone interact. energy: -0.494
local terms energy: -140.917537
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -23.170
flat angles C4'-P-C4' energy: -29.398
flat angles P-C4'-P energy: -21.987
tors. eta vs tors. theta energy: -45.064
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: 5, replica: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -533.256433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.256433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.256433 (E_RNA)
where:
Base-Base interactions energy: -385.866
where: short stacking energy: -150.622
Base-Backbone interact. energy: -0.044
local terms energy: -147.347005
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -24.958
flat angles C4'-P-C4' energy: -31.834
flat angles P-C4'-P energy: -22.847
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: 6, replica: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -519.662250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.662250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.662250 (E_RNA)
where:
Base-Base interactions energy: -387.444
where: short stacking energy: -146.664
Base-Backbone interact. energy: -1.199
local terms energy: -131.019029
where:
bonds (distance) C4'-P energy: -23.080
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -28.308
flat angles P-C4'-P energy: -16.709
tors. eta vs tors. theta energy: -42.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -524.505491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.505491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.505491 (E_RNA)
where:
Base-Base interactions energy: -387.354
where: short stacking energy: -146.942
Base-Backbone interact. energy: -0.003
local terms energy: -137.147816
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -21.915
flat angles C4'-P-C4' energy: -29.837
flat angles P-C4'-P energy: -20.376
tors. eta vs tors. theta energy: -45.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -505.362290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.362290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.362290 (E_RNA)
where:
Base-Base interactions energy: -362.886
where: short stacking energy: -142.256
Base-Backbone interact. energy: 0.687
local terms energy: -143.163334
where:
bonds (distance) C4'-P energy: -20.784
bonds (distance) P-C4' energy: -28.440
flat angles C4'-P-C4' energy: -31.917
flat angles P-C4'-P energy: -17.519
tors. eta vs tors. theta energy: -44.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -508.101957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.101957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.101957 (E_RNA)
where:
Base-Base interactions energy: -380.569
where: short stacking energy: -151.150
Base-Backbone interact. energy: -0.639
local terms energy: -126.893762
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -28.560
flat angles P-C4'-P energy: -21.889
tors. eta vs tors. theta energy: -43.379
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: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -491.824125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.824125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.824125 (E_RNA)
where:
Base-Base interactions energy: -360.488
where: short stacking energy: -133.636
Base-Backbone interact. energy: -0.106
local terms energy: -131.230124
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -30.275
flat angles P-C4'-P energy: -18.603
tors. eta vs tors. theta energy: -36.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -567.482507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.482507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.482507 (E_RNA)
where:
Base-Base interactions energy: -404.365
where: short stacking energy: -154.529
Base-Backbone interact. energy: -1.705
local terms energy: -161.412654
where:
bonds (distance) C4'-P energy: -28.436
bonds (distance) P-C4' energy: -28.434
flat angles C4'-P-C4' energy: -32.657
flat angles P-C4'-P energy: -23.574
tors. eta vs tors. theta energy: -48.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -552.189112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.189112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.189112 (E_RNA)
where:
Base-Base interactions energy: -395.038
where: short stacking energy: -154.087
Base-Backbone interact. energy: -1.825
local terms energy: -155.326112
where:
bonds (distance) C4'-P energy: -24.713
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -34.336
flat angles P-C4'-P energy: -26.101
tors. eta vs tors. theta energy: -47.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -548.358127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.358127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.358127 (E_RNA)
where:
Base-Base interactions energy: -394.132
where: short stacking energy: -160.930
Base-Backbone interact. energy: -1.044
local terms energy: -153.181676
where:
bonds (distance) C4'-P energy: -28.161
bonds (distance) P-C4' energy: -28.404
flat angles C4'-P-C4' energy: -26.731
flat angles P-C4'-P energy: -22.810
tors. eta vs tors. theta energy: -47.076
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: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -537.884778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.884778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.884778 (E_RNA)
where:
Base-Base interactions energy: -391.533
where: short stacking energy: -161.036
Base-Backbone interact. energy: -0.264
local terms energy: -146.087214
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -29.424
flat angles C4'-P-C4' energy: -26.043
flat angles P-C4'-P energy: -21.518
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: 5, replica: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -526.042123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.042123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.042123 (E_RNA)
where:
Base-Base interactions energy: -383.190
where: short stacking energy: -147.490
Base-Backbone interact. energy: -0.445
local terms energy: -142.407512
where:
bonds (distance) C4'-P energy: -25.273
bonds (distance) P-C4' energy: -25.043
flat angles C4'-P-C4' energy: -29.526
flat angles P-C4'-P energy: -18.044
tors. eta vs tors. theta energy: -44.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -528.677817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.677817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.677817 (E_RNA)
where:
Base-Base interactions energy: -378.709
where: short stacking energy: -145.110
Base-Backbone interact. energy: -0.042
local terms energy: -149.926309
where:
bonds (distance) C4'-P energy: -26.552
bonds (distance) P-C4' energy: -28.411
flat angles C4'-P-C4' energy: -25.006
flat angles P-C4'-P energy: -24.171
tors. eta vs tors. theta energy: -45.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -518.220503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.220503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.220503 (E_RNA)
where:
Base-Base interactions energy: -380.253
where: short stacking energy: -147.017
Base-Backbone interact. energy: -0.293
local terms energy: -137.674679
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -25.813
flat angles C4'-P-C4' energy: -29.776
flat angles P-C4'-P energy: -20.128
tors. eta vs tors. theta energy: -44.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -524.089650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.089650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.089650 (E_RNA)
where:
Base-Base interactions energy: -381.773
where: short stacking energy: -141.113
Base-Backbone interact. energy: -0.584
local terms energy: -141.733012
where:
bonds (distance) C4'-P energy: -23.533
bonds (distance) P-C4' energy: -21.784
flat angles C4'-P-C4' energy: -32.359
flat angles P-C4'-P energy: -19.917
tors. eta vs tors. theta energy: -44.140
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: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -502.555026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.555026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.555026 (E_RNA)
where:
Base-Base interactions energy: -377.226
where: short stacking energy: -146.305
Base-Backbone interact. energy: -0.044
local terms energy: -125.285167
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -30.092
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -42.265
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: 3
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -507.406522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.406522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.406522 (E_RNA)
where:
Base-Base interactions energy: -369.423
where: short stacking energy: -147.187
Base-Backbone interact. energy: -0.172
local terms energy: -137.811600
where:
bonds (distance) C4'-P energy: -20.648
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -30.265
flat angles P-C4'-P energy: -19.323
tors. eta vs tors. theta energy: -44.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -569.041446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.041446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.041446 (E_RNA)
where:
Base-Base interactions energy: -405.739
where: short stacking energy: -159.635
Base-Backbone interact. energy: -0.422
local terms energy: -162.880565
where:
bonds (distance) C4'-P energy: -25.950
bonds (distance) P-C4' energy: -28.242
flat angles C4'-P-C4' energy: -32.969
flat angles P-C4'-P energy: -28.163
tors. eta vs tors. theta energy: -47.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -546.585730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.585730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.585730 (E_RNA)
where:
Base-Base interactions energy: -401.399
where: short stacking energy: -156.011
Base-Backbone interact. energy: 0.659
local terms energy: -145.845481
where:
bonds (distance) C4'-P energy: -22.363
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -31.394
flat angles P-C4'-P energy: -20.227
tors. eta vs tors. theta energy: -47.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -554.893503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.893503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.893503 (E_RNA)
where:
Base-Base interactions energy: -397.409
where: short stacking energy: -156.854
Base-Backbone interact. energy: -0.000
local terms energy: -157.484633
where:
bonds (distance) C4'-P energy: -27.081
bonds (distance) P-C4' energy: -27.705
flat angles C4'-P-C4' energy: -31.085
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -47.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -539.870560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.870560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.870560 (E_RNA)
where:
Base-Base interactions energy: -383.171
where: short stacking energy: -147.779
Base-Backbone interact. energy: -1.696
local terms energy: -155.003685
where:
bonds (distance) C4'-P energy: -23.615
bonds (distance) P-C4' energy: -32.778
flat angles C4'-P-C4' energy: -31.864
flat angles P-C4'-P energy: -19.569
tors. eta vs tors. theta energy: -47.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -529.530038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.530038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.530038 (E_RNA)
where:
Base-Base interactions energy: -385.818
where: short stacking energy: -149.365
Base-Backbone interact. energy: -0.964
local terms energy: -142.748267
where:
bonds (distance) C4'-P energy: -25.180
bonds (distance) P-C4' energy: -22.072
flat angles C4'-P-C4' energy: -25.189
flat angles P-C4'-P energy: -24.266
tors. eta vs tors. theta energy: -46.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -535.396881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.396881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.396881 (E_RNA)
where:
Base-Base interactions energy: -389.233
where: short stacking energy: -151.510
Base-Backbone interact. energy: 0.047
local terms energy: -146.210868
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -24.975
flat angles C4'-P-C4' energy: -31.446
flat angles P-C4'-P energy: -23.642
tors. eta vs tors. theta energy: -44.737
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: 7, replica: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -515.217396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.217396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.217396 (E_RNA)
where:
Base-Base interactions energy: -383.335
where: short stacking energy: -148.303
Base-Backbone interact. energy: -0.006
local terms energy: -131.876185
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -21.109
flat angles C4'-P-C4' energy: -26.243
flat angles P-C4'-P energy: -16.689
tors. eta vs tors. theta energy: -44.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -508.083991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.083991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.083991 (E_RNA)
where:
Base-Base interactions energy: -377.401
where: short stacking energy: -143.480
Base-Backbone interact. energy: -0.508
local terms energy: -130.175574
where:
bonds (distance) C4'-P energy: -19.737
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -23.913
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -44.523
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: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -484.486417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.486417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.486417 (E_RNA)
where:
Base-Base interactions energy: -361.313
where: short stacking energy: -138.095
Base-Backbone interact. energy: -0.132
local terms energy: -123.041808
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -28.064
flat angles P-C4'-P energy: -19.087
tors. eta vs tors. theta energy: -41.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -498.665517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.665517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.665517 (E_RNA)
where:
Base-Base interactions energy: -368.990
where: short stacking energy: -141.731
Base-Backbone interact. energy: 0.023
local terms energy: -129.698527
where:
bonds (distance) C4'-P energy: -26.278
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -28.366
flat angles P-C4'-P energy: -18.094
tors. eta vs tors. theta energy: -41.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -562.753336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.753336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.753336 (E_RNA)
where:
Base-Base interactions energy: -401.178
where: short stacking energy: -156.269
Base-Backbone interact. energy: -0.554
local terms energy: -161.020720
where:
bonds (distance) C4'-P energy: -31.536
bonds (distance) P-C4' energy: -27.370
flat angles C4'-P-C4' energy: -31.075
flat angles P-C4'-P energy: -25.283
tors. eta vs tors. theta energy: -45.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -556.457704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.457704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.457704 (E_RNA)
where:
Base-Base interactions energy: -400.511
where: short stacking energy: -155.552
Base-Backbone interact. energy: -0.611
local terms energy: -155.335287
where:
bonds (distance) C4'-P energy: -25.257
bonds (distance) P-C4' energy: -29.049
flat angles C4'-P-C4' energy: -33.126
flat angles P-C4'-P energy: -18.723
tors. eta vs tors. theta energy: -49.180
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: 3, replica: 8
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -547.265659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.265659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.265659 (E_RNA)
where:
Base-Base interactions energy: -404.125
where: short stacking energy: -161.907
Base-Backbone interact. energy: -0.482
local terms energy: -142.658963
where:
bonds (distance) C4'-P energy: -25.075
bonds (distance) P-C4' energy: -20.934
flat angles C4'-P-C4' energy: -30.725
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -47.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -549.598547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.598547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.598547 (E_RNA)
where:
Base-Base interactions energy: -396.539
where: short stacking energy: -158.143
Base-Backbone interact. energy: -0.002
local terms energy: -153.057373
where:
bonds (distance) C4'-P energy: -24.893
bonds (distance) P-C4' energy: -29.683
flat angles C4'-P-C4' energy: -32.759
flat angles P-C4'-P energy: -21.490
tors. eta vs tors. theta energy: -44.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -532.528144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.528144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.528144 (E_RNA)
where:
Base-Base interactions energy: -391.728
where: short stacking energy: -142.991
Base-Backbone interact. energy: -1.316
local terms energy: -139.484512
where:
bonds (distance) C4'-P energy: -27.161
bonds (distance) P-C4' energy: -26.253
flat angles C4'-P-C4' energy: -21.897
flat angles P-C4'-P energy: -19.182
tors. eta vs tors. theta energy: -44.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -527.034185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.034185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.034185 (E_RNA)
where:
Base-Base interactions energy: -389.369
where: short stacking energy: -154.737
Base-Backbone interact. energy: -0.546
local terms energy: -137.119756
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -30.107
flat angles P-C4'-P energy: -18.908
tors. eta vs tors. theta energy: -45.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -523.909348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.909348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.909348 (E_RNA)
where:
Base-Base interactions energy: -377.665
where: short stacking energy: -146.885
Base-Backbone interact. energy: -0.008
local terms energy: -146.235863
where:
bonds (distance) C4'-P energy: -23.297
bonds (distance) P-C4' energy: -25.783
flat angles C4'-P-C4' energy: -26.175
flat angles P-C4'-P energy: -23.394
tors. eta vs tors. theta energy: -47.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -499.606334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.606334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.606334 (E_RNA)
where:
Base-Base interactions energy: -368.896
where: short stacking energy: -139.691
Base-Backbone interact. energy: 0.391
local terms energy: -131.101066
where:
bonds (distance) C4'-P energy: -26.308
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -23.800
flat angles P-C4'-P energy: -19.724
tors. eta vs tors. theta energy: -43.520
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: 3
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -510.244515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.244515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.244515 (E_RNA)
where:
Base-Base interactions energy: -380.845
where: short stacking energy: -146.849
Base-Backbone interact. energy: -0.643
local terms energy: -128.756811
where:
bonds (distance) C4'-P energy: -25.048
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -31.364
flat angles P-C4'-P energy: -18.049
tors. eta vs tors. theta energy: -43.647
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: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -476.907348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.907348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.907348 (E_RNA)
where:
Base-Base interactions energy: -338.467
where: short stacking energy: -134.579
Base-Backbone interact. energy: -0.635
local terms energy: -137.804451
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -25.306
flat angles C4'-P-C4' energy: -30.695
flat angles P-C4'-P energy: -22.803
tors. eta vs tors. theta energy: -39.991
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: 1, replica: 9
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -567.562906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.562906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.562906 (E_RNA)
where:
Base-Base interactions energy: -400.863
where: short stacking energy: -159.788
Base-Backbone interact. energy: -0.742
local terms energy: -165.958000
where:
bonds (distance) C4'-P energy: -32.624
bonds (distance) P-C4' energy: -28.897
flat angles C4'-P-C4' energy: -30.738
flat angles P-C4'-P energy: -26.448
tors. eta vs tors. theta energy: -47.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -556.379004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.379004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.379004 (E_RNA)
where:
Base-Base interactions energy: -399.273
where: short stacking energy: -156.728
Base-Backbone interact. energy: -1.013
local terms energy: -156.092811
where:
bonds (distance) C4'-P energy: -27.221
bonds (distance) P-C4' energy: -31.371
flat angles C4'-P-C4' energy: -32.092
flat angles P-C4'-P energy: -19.090
tors. eta vs tors. theta energy: -46.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -561.476008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.476008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.476008 (E_RNA)
where:
Base-Base interactions energy: -400.956
where: short stacking energy: -156.994
Base-Backbone interact. energy: -0.930
local terms energy: -159.590132
where:
bonds (distance) C4'-P energy: -24.082
bonds (distance) P-C4' energy: -30.849
flat angles C4'-P-C4' energy: -33.645
flat angles P-C4'-P energy: -23.530
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: 4, replica: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -546.580216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.580216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.580216 (E_RNA)
where:
Base-Base interactions energy: -396.438
where: short stacking energy: -150.411
Base-Backbone interact. energy: -0.002
local terms energy: -150.140734
where:
bonds (distance) C4'-P energy: -26.357
bonds (distance) P-C4' energy: -26.781
flat angles C4'-P-C4' energy: -27.881
flat angles P-C4'-P energy: -22.689
tors. eta vs tors. theta energy: -46.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -536.410818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.410818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.410818 (E_RNA)
where:
Base-Base interactions energy: -390.939
where: short stacking energy: -153.426
Base-Backbone interact. energy: -0.585
local terms energy: -144.886134
where:
bonds (distance) C4'-P energy: -27.105
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -32.027
flat angles P-C4'-P energy: -20.033
tors. eta vs tors. theta energy: -44.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -528.193145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.193145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.193145 (E_RNA)
where:
Base-Base interactions energy: -381.448
where: short stacking energy: -152.172
Base-Backbone interact. energy: -0.699
local terms energy: -146.046160
where:
bonds (distance) C4'-P energy: -20.225
bonds (distance) P-C4' energy: -26.869
flat angles C4'-P-C4' energy: -29.694
flat angles P-C4'-P energy: -22.687
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: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -522.864409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.864409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.864409 (E_RNA)
where:
Base-Base interactions energy: -395.096
where: short stacking energy: -152.764
Base-Backbone interact. energy: -0.288
local terms energy: -127.480167
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -28.014
flat angles P-C4'-P energy: -17.294
tors. eta vs tors. theta energy: -43.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -504.491576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.491576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.491576 (E_RNA)
where:
Base-Base interactions energy: -374.276
where: short stacking energy: -144.345
Base-Backbone interact. energy: -1.021
local terms energy: -129.195028
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -24.852
flat angles C4'-P-C4' energy: -27.340
flat angles P-C4'-P energy: -19.316
tors. eta vs tors. theta energy: -43.843
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: 3
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -491.169287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.169287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.169287 (E_RNA)
where:
Base-Base interactions energy: -354.536
where: short stacking energy: -142.744
Base-Backbone interact. energy: -0.458
local terms energy: -136.175198
where:
bonds (distance) C4'-P energy: -24.277
bonds (distance) P-C4' energy: -25.896
flat angles C4'-P-C4' energy: -25.834
flat angles P-C4'-P energy: -17.254
tors. eta vs tors. theta energy: -42.914
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: 399
Temperature: 1.350000
Total energy: -499.660484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.660484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.660484 (E_RNA)
where:
Base-Base interactions energy: -375.843
where: short stacking energy: -140.253
Base-Backbone interact. energy: 0.858
local terms energy: -124.675149
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -18.908
tors. eta vs tors. theta energy: -44.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -563.202086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.202086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.202086 (E_RNA)
where:
Base-Base interactions energy: -406.141
where: short stacking energy: -162.347
Base-Backbone interact. energy: -0.280
local terms energy: -156.780763
where:
bonds (distance) C4'-P energy: -26.217
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -31.943
flat angles P-C4'-P energy: -24.490
tors. eta vs tors. theta energy: -49.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -561.730685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.730685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.730685 (E_RNA)
where:
Base-Base interactions energy: -405.396
where: short stacking energy: -158.692
Base-Backbone interact. energy: -0.752
local terms energy: -155.583246
where:
bonds (distance) C4'-P energy: -30.014
bonds (distance) P-C4' energy: -28.360
flat angles C4'-P-C4' energy: -28.834
flat angles P-C4'-P energy: -21.852
tors. eta vs tors. theta energy: -46.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -553.331729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.331729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.331729 (E_RNA)
where:
Base-Base interactions energy: -404.516
where: short stacking energy: -154.335
Base-Backbone interact. energy: -0.507
local terms energy: -148.308085
where:
bonds (distance) C4'-P energy: -19.558
bonds (distance) P-C4' energy: -26.408
flat angles C4'-P-C4' energy: -29.828
flat angles P-C4'-P energy: -25.863
tors. eta vs tors. theta energy: -46.652
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: 4, replica: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -538.071424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.071424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.071424 (E_RNA)
where:
Base-Base interactions energy: -391.884
where: short stacking energy: -147.096
Base-Backbone interact. energy: -0.101
local terms energy: -146.087127
where:
bonds (distance) C4'-P energy: -22.678
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -32.146
flat angles P-C4'-P energy: -23.436
tors. eta vs tors. theta energy: -42.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -529.575164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.575164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.575164 (E_RNA)
where:
Base-Base interactions energy: -389.565
where: short stacking energy: -147.770
Base-Backbone interact. energy: -0.326
local terms energy: -139.684647
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -27.172
flat angles C4'-P-C4' energy: -25.650
flat angles P-C4'-P energy: -18.457
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: 6, replica: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -530.569642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.569642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.569642 (E_RNA)
where:
Base-Base interactions energy: -385.501
where: short stacking energy: -147.960
Base-Backbone interact. energy: -0.100
local terms energy: -144.969070
where:
bonds (distance) C4'-P energy: -25.497
bonds (distance) P-C4' energy: -28.765
flat angles C4'-P-C4' energy: -26.892
flat angles P-C4'-P energy: -16.582
tors. eta vs tors. theta energy: -47.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -512.236819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.236819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.236819 (E_RNA)
where:
Base-Base interactions energy: -377.435
where: short stacking energy: -146.813
Base-Backbone interact. energy: -0.019
local terms energy: -134.782913
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -23.111
flat angles C4'-P-C4' energy: -29.193
flat angles P-C4'-P energy: -19.858
tors. eta vs tors. theta energy: -42.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -508.308394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.308394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.308394 (E_RNA)
where:
Base-Base interactions energy: -372.369
where: short stacking energy: -139.256
Base-Backbone interact. energy: -1.009
local terms energy: -134.930158
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -26.127
flat angles C4'-P-C4' energy: -31.453
flat angles P-C4'-P energy: -18.180
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: 9, replica: 6
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -506.472185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.472185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.472185 (E_RNA)
where:
Base-Base interactions energy: -366.354
where: short stacking energy: -141.478
Base-Backbone interact. energy: -0.579
local terms energy: -139.539207
where:
bonds (distance) C4'-P energy: -22.092
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -31.369
flat angles P-C4'-P energy: -21.727
tors. eta vs tors. theta energy: -45.116
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: 3
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -490.405501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.405501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.405501 (E_RNA)
where:
Base-Base interactions energy: -355.752
where: short stacking energy: -136.488
Base-Backbone interact. energy: -0.014
local terms energy: -134.639798
where:
bonds (distance) C4'-P energy: -27.156
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -26.713
flat angles P-C4'-P energy: -19.931
tors. eta vs tors. theta energy: -41.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -570.171225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.171225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.171225 (E_RNA)
where:
Base-Base interactions energy: -406.548
where: short stacking energy: -158.261
Base-Backbone interact. energy: -0.714
local terms energy: -162.909114
where:
bonds (distance) C4'-P energy: -27.824
bonds (distance) P-C4' energy: -28.107
flat angles C4'-P-C4' energy: -33.133
flat angles P-C4'-P energy: -25.847
tors. eta vs tors. theta energy: -47.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -545.919979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.919979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.919979 (E_RNA)
where:
Base-Base interactions energy: -390.702
where: short stacking energy: -149.339
Base-Backbone interact. energy: -0.001
local terms energy: -155.216610
where:
bonds (distance) C4'-P energy: -28.045
bonds (distance) P-C4' energy: -25.661
flat angles C4'-P-C4' energy: -30.198
flat angles P-C4'-P energy: -25.455
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: 3, replica: 9
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -547.322794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.322794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.322794 (E_RNA)
where:
Base-Base interactions energy: -397.412
where: short stacking energy: -155.917
Base-Backbone interact. energy: -0.608
local terms energy: -149.302980
where:
bonds (distance) C4'-P energy: -27.400
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -29.428
flat angles P-C4'-P energy: -23.660
tors. eta vs tors. theta energy: -45.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -551.608838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.608838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.608838 (E_RNA)
where:
Base-Base interactions energy: -395.709
where: short stacking energy: -156.086
Base-Backbone interact. energy: -0.002
local terms energy: -155.898553
where:
bonds (distance) C4'-P energy: -25.488
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -32.956
flat angles P-C4'-P energy: -24.205
tors. eta vs tors. theta energy: -47.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -535.596964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.596964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.596964 (E_RNA)
where:
Base-Base interactions energy: -380.736
where: short stacking energy: -147.228
Base-Backbone interact. energy: -0.106
local terms energy: -154.754135
where:
bonds (distance) C4'-P energy: -27.837
bonds (distance) P-C4' energy: -29.058
flat angles C4'-P-C4' energy: -30.412
flat angles P-C4'-P energy: -20.608
tors. eta vs tors. theta energy: -46.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -531.483373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.483373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.483373 (E_RNA)
where:
Base-Base interactions energy: -383.224
where: short stacking energy: -155.464
Base-Backbone interact. energy: -0.173
local terms energy: -148.085960
where:
bonds (distance) C4'-P energy: -26.758
bonds (distance) P-C4' energy: -24.814
flat angles C4'-P-C4' energy: -29.688
flat angles P-C4'-P energy: -20.256
tors. eta vs tors. theta energy: -46.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -517.242395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.242395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.242395 (E_RNA)
where:
Base-Base interactions energy: -382.401
where: short stacking energy: -145.789
Base-Backbone interact. energy: -0.907
local terms energy: -133.934278
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -25.865
flat angles C4'-P-C4' energy: -22.510
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -46.178
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: 401
Temperature: 1.250000
Total energy: -514.312026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.312026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.312026 (E_RNA)
where:
Base-Base interactions energy: -368.019
where: short stacking energy: -145.008
Base-Backbone interact. energy: -0.006
local terms energy: -146.287260
where:
bonds (distance) C4'-P energy: -29.425
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -31.621
flat angles P-C4'-P energy: -21.558
tors. eta vs tors. theta energy: -41.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -507.000566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.000566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.000566 (E_RNA)
where:
Base-Base interactions energy: -361.708
where: short stacking energy: -138.119
Base-Backbone interact. energy: -0.596
local terms energy: -144.696840
where:
bonds (distance) C4'-P energy: -24.012
bonds (distance) P-C4' energy: -25.453
flat angles C4'-P-C4' energy: -29.762
flat angles P-C4'-P energy: -22.531
tors. eta vs tors. theta energy: -42.938
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: 3
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -493.926300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.926300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.926300 (E_RNA)
where:
Base-Base interactions energy: -359.643
where: short stacking energy: -137.848
Base-Backbone interact. energy: 1.183
local terms energy: -135.467058
where:
bonds (distance) C4'-P energy: -25.410
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -31.015
flat angles P-C4'-P energy: -24.036
tors. eta vs tors. theta energy: -41.249
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: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -567.067790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.067790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.067790 (E_RNA)
where:
Base-Base interactions energy: -404.755
where: short stacking energy: -162.448
Base-Backbone interact. energy: -0.387
local terms energy: -161.925453
where:
bonds (distance) C4'-P energy: -26.695
bonds (distance) P-C4' energy: -29.206
flat angles C4'-P-C4' energy: -31.197
flat angles P-C4'-P energy: -28.183
tors. eta vs tors. theta energy: -46.645
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: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -547.678849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.678849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.678849 (E_RNA)
where:
Base-Base interactions energy: -392.716
where: short stacking energy: -153.549
Base-Backbone interact. energy: -0.008
local terms energy: -154.954822
where:
bonds (distance) C4'-P energy: -25.524
bonds (distance) P-C4' energy: -30.667
flat angles C4'-P-C4' energy: -29.237
flat angles P-C4'-P energy: -26.044
tors. eta vs tors. theta energy: -43.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -558.785734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.785734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.785734 (E_RNA)
where:
Base-Base interactions energy: -401.118
where: short stacking energy: -155.970
Base-Backbone interact. energy: -0.589
local terms energy: -157.078339
where:
bonds (distance) C4'-P energy: -22.536
bonds (distance) P-C4' energy: -28.498
flat angles C4'-P-C4' energy: -34.995
flat angles P-C4'-P energy: -25.248
tors. eta vs tors. theta energy: -45.802
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: 9
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -544.265856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.265856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.265856 (E_RNA)
where:
Base-Base interactions energy: -391.319
where: short stacking energy: -153.368
Base-Backbone interact. energy: -0.003
local terms energy: -152.944527
where:
bonds (distance) C4'-P energy: -26.776
bonds (distance) P-C4' energy: -25.524
flat angles C4'-P-C4' energy: -30.187
flat angles P-C4'-P energy: -24.279
tors. eta vs tors. theta energy: -46.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -545.125794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.125794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.125794 (E_RNA)
where:
Base-Base interactions energy: -390.872
where: short stacking energy: -155.847
Base-Backbone interact. energy: -1.154
local terms energy: -153.099221
where:
bonds (distance) C4'-P energy: -28.667
bonds (distance) P-C4' energy: -26.353
flat angles C4'-P-C4' energy: -31.068
flat angles P-C4'-P energy: -21.688
tors. eta vs tors. theta energy: -45.323
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: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -523.978891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.978891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.978891 (E_RNA)
where:
Base-Base interactions energy: -379.342
where: short stacking energy: -143.711
Base-Backbone interact. energy: -0.192
local terms energy: -144.444675
where:
bonds (distance) C4'-P energy: -22.256
bonds (distance) P-C4' energy: -24.415
flat angles C4'-P-C4' energy: -29.314
flat angles P-C4'-P energy: -24.709
tors. eta vs tors. theta energy: -43.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -515.895106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.895106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.895106 (E_RNA)
where:
Base-Base interactions energy: -364.837
where: short stacking energy: -141.380
Base-Backbone interact. energy: -0.001
local terms energy: -151.057102
where:
bonds (distance) C4'-P energy: -24.839
bonds (distance) P-C4' energy: -30.721
flat angles C4'-P-C4' energy: -30.716
flat angles P-C4'-P energy: -18.803
tors. eta vs tors. theta energy: -45.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -510.610509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.610509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.610509 (E_RNA)
where:
Base-Base interactions energy: -381.279
where: short stacking energy: -145.741
Base-Backbone interact. energy: 0.630
local terms energy: -129.961322
where:
bonds (distance) C4'-P energy: -20.172
bonds (distance) P-C4' energy: -20.156
flat angles C4'-P-C4' energy: -25.709
flat angles P-C4'-P energy: -22.164
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: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -501.932308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.932308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.932308 (E_RNA)
where:
Base-Base interactions energy: -365.902
where: short stacking energy: -142.514
Base-Backbone interact. energy: -0.565
local terms energy: -135.465337
where:
bonds (distance) C4'-P energy: -24.224
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -26.811
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -47.213
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: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -494.575017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.575017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.575017 (E_RNA)
where:
Base-Base interactions energy: -360.237
where: short stacking energy: -144.606
Base-Backbone interact. energy: -0.725
local terms energy: -133.612687
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -27.979
flat angles P-C4'-P energy: -17.141
tors. eta vs tors. theta energy: -42.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -560.686751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.686751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.686751 (E_RNA)
where:
Base-Base interactions energy: -404.961
where: short stacking energy: -155.066
Base-Backbone interact. energy: -1.156
local terms energy: -154.569520
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -28.073
flat angles C4'-P-C4' energy: -31.508
flat angles P-C4'-P energy: -24.986
tors. eta vs tors. theta energy: -46.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -565.229305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.229305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.229305 (E_RNA)
where:
Base-Base interactions energy: -410.682
where: short stacking energy: -165.103
Base-Backbone interact. energy: -0.163
local terms energy: -154.383656
where:
bonds (distance) C4'-P energy: -21.969
bonds (distance) P-C4' energy: -30.967
flat angles C4'-P-C4' energy: -32.549
flat angles P-C4'-P energy: -22.656
tors. eta vs tors. theta energy: -46.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -543.880851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.880851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.880851 (E_RNA)
where:
Base-Base interactions energy: -397.005
where: short stacking energy: -151.502
Base-Backbone interact. energy: -1.167
local terms energy: -145.708364
where:
bonds (distance) C4'-P energy: -20.676
bonds (distance) P-C4' energy: -25.645
flat angles C4'-P-C4' energy: -28.432
flat angles P-C4'-P energy: -25.669
tors. eta vs tors. theta energy: -45.287
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: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -541.837288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.837288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.837288 (E_RNA)
where:
Base-Base interactions energy: -396.582
where: short stacking energy: -156.639
Base-Backbone interact. energy: -0.572
local terms energy: -144.683410
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -25.471
flat angles C4'-P-C4' energy: -28.340
flat angles P-C4'-P energy: -22.629
tors. eta vs tors. theta energy: -45.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -537.893478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.893478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.893478 (E_RNA)
where:
Base-Base interactions energy: -395.523
where: short stacking energy: -157.672
Base-Backbone interact. energy: 0.568
local terms energy: -142.938606
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -25.506
flat angles C4'-P-C4' energy: -28.409
flat angles P-C4'-P energy: -22.415
tors. eta vs tors. theta energy: -44.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -520.689570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.689570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.689570 (E_RNA)
where:
Base-Base interactions energy: -383.752
where: short stacking energy: -147.493
Base-Backbone interact. energy: -0.785
local terms energy: -136.152407
where:
bonds (distance) C4'-P energy: -26.975
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -26.116
flat angles P-C4'-P energy: -23.155
tors. eta vs tors. theta energy: -40.465
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: 403
Temperature: 1.200000
Total energy: -509.527489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.527489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.527489 (E_RNA)
where:
Base-Base interactions energy: -365.345
where: short stacking energy: -143.306
Base-Backbone interact. energy: -0.052
local terms energy: -144.130138
where:
bonds (distance) C4'-P energy: -26.784
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -30.858
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -45.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -517.421931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.421931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.421931 (E_RNA)
where:
Base-Base interactions energy: -379.107
where: short stacking energy: -141.378
Base-Backbone interact. energy: -0.600
local terms energy: -137.714464
where:
bonds (distance) C4'-P energy: -29.006
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -26.958
flat angles P-C4'-P energy: -16.860
tors. eta vs tors. theta energy: -44.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -493.369548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.369548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.369548 (E_RNA)
where:
Base-Base interactions energy: -366.995
where: short stacking energy: -141.468
Base-Backbone interact. energy: -0.366
local terms energy: -126.008347
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -28.067
flat angles P-C4'-P energy: -17.274
tors. eta vs tors. theta energy: -42.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -488.718944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.718944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.718944 (E_RNA)
where:
Base-Base interactions energy: -359.211
where: short stacking energy: -138.331
Base-Backbone interact. energy: -0.032
local terms energy: -129.476002
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -29.153
flat angles P-C4'-P energy: -22.228
tors. eta vs tors. theta energy: -39.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -560.110008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.110008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.110008 (E_RNA)
where:
Base-Base interactions energy: -409.691
where: short stacking energy: -160.890
Base-Backbone interact. energy: -0.805
local terms energy: -149.613140
where:
bonds (distance) C4'-P energy: -20.697
bonds (distance) P-C4' energy: -27.243
flat angles C4'-P-C4' energy: -31.011
flat angles P-C4'-P energy: -23.450
tors. eta vs tors. theta energy: -47.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -549.535992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.535992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.535992 (E_RNA)
where:
Base-Base interactions energy: -396.797
where: short stacking energy: -152.947
Base-Backbone interact. energy: -0.849
local terms energy: -151.890550
where:
bonds (distance) C4'-P energy: -25.126
bonds (distance) P-C4' energy: -26.421
flat angles C4'-P-C4' energy: -28.719
flat angles P-C4'-P energy: -25.427
tors. eta vs tors. theta energy: -46.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -548.966091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.966091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.966091 (E_RNA)
where:
Base-Base interactions energy: -397.696
where: short stacking energy: -156.364
Base-Backbone interact. energy: -0.191
local terms energy: -151.079454
where:
bonds (distance) C4'-P energy: -29.118
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -28.033
flat angles P-C4'-P energy: -24.118
tors. eta vs tors. theta energy: -45.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -538.148562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.148562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.148562 (E_RNA)
where:
Base-Base interactions energy: -394.622
where: short stacking energy: -157.885
Base-Backbone interact. energy: -0.151
local terms energy: -143.375325
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -28.601
flat angles C4'-P-C4' energy: -30.658
flat angles P-C4'-P energy: -20.570
tors. eta vs tors. theta energy: -44.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -536.842081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.842081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.842081 (E_RNA)
where:
Base-Base interactions energy: -389.719
where: short stacking energy: -151.974
Base-Backbone interact. energy: -0.304
local terms energy: -146.819879
where:
bonds (distance) C4'-P energy: -24.758
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -30.544
flat angles P-C4'-P energy: -23.674
tors. eta vs tors. theta energy: -48.392
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: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -525.516966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.516966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.516966 (E_RNA)
where:
Base-Base interactions energy: -380.786
where: short stacking energy: -146.356
Base-Backbone interact. energy: -0.667
local terms energy: -144.063240
where:
bonds (distance) C4'-P energy: -28.213
bonds (distance) P-C4' energy: -26.967
flat angles C4'-P-C4' energy: -27.208
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -43.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -526.490724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.490724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.490724 (E_RNA)
where:
Base-Base interactions energy: -373.664
where: short stacking energy: -142.482
Base-Backbone interact. energy: -1.143
local terms energy: -151.683489
where:
bonds (distance) C4'-P energy: -29.036
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -33.146
flat angles P-C4'-P energy: -23.431
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: 8, replica: 1
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -515.555266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.555266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.555266 (E_RNA)
where:
Base-Base interactions energy: -378.952
where: short stacking energy: -147.362
Base-Backbone interact. energy: -1.469
local terms energy: -135.133636
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -25.355
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -19.815
tors. eta vs tors. theta energy: -45.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -500.857894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.857894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.857894 (E_RNA)
where:
Base-Base interactions energy: -371.890
where: short stacking energy: -143.069
Base-Backbone interact. energy: -0.112
local terms energy: -128.855714
where:
bonds (distance) C4'-P energy: -22.341
bonds (distance) P-C4' energy: -24.629
flat angles C4'-P-C4' energy: -25.932
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: -38.331
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: 10, replica: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -515.403970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.403970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.403970 (E_RNA)
where:
Base-Base interactions energy: -381.741
where: short stacking energy: -154.291
Base-Backbone interact. energy: -0.404
local terms energy: -133.258425
where:
bonds (distance) C4'-P energy: -22.720
bonds (distance) P-C4' energy: -21.874
flat angles C4'-P-C4' energy: -26.573
flat angles P-C4'-P energy: -15.827
tors. eta vs tors. theta energy: -46.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -561.761159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.761159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.761159 (E_RNA)
where:
Base-Base interactions energy: -402.505
where: short stacking energy: -157.075
Base-Backbone interact. energy: -0.002
local terms energy: -159.254368
where:
bonds (distance) C4'-P energy: -30.099
bonds (distance) P-C4' energy: -30.697
flat angles C4'-P-C4' energy: -28.053
flat angles P-C4'-P energy: -23.400
tors. eta vs tors. theta energy: -47.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -561.011576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.011576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.011576 (E_RNA)
where:
Base-Base interactions energy: -413.016
where: short stacking energy: -155.971
Base-Backbone interact. energy: -0.896
local terms energy: -147.098866
where:
bonds (distance) C4'-P energy: -23.606
bonds (distance) P-C4' energy: -27.177
flat angles C4'-P-C4' energy: -28.959
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -44.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -549.597174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.597174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.597174 (E_RNA)
where:
Base-Base interactions energy: -398.203
where: short stacking energy: -154.309
Base-Backbone interact. energy: 0.489
local terms energy: -151.883257
where:
bonds (distance) C4'-P energy: -27.989
bonds (distance) P-C4' energy: -28.178
flat angles C4'-P-C4' energy: -29.400
flat angles P-C4'-P energy: -20.791
tors. eta vs tors. theta energy: -45.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -540.047319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.047319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.047319 (E_RNA)
where:
Base-Base interactions energy: -392.971
where: short stacking energy: -146.189
Base-Backbone interact. energy: 0.140
local terms energy: -147.216716
where:
bonds (distance) C4'-P energy: -23.769
bonds (distance) P-C4' energy: -25.703
flat angles C4'-P-C4' energy: -29.314
flat angles P-C4'-P energy: -22.476
tors. eta vs tors. theta energy: -45.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -531.700038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.700038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.700038 (E_RNA)
where:
Base-Base interactions energy: -384.970
where: short stacking energy: -145.237
Base-Backbone interact. energy: -0.333
local terms energy: -146.397419
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -25.342
flat angles C4'-P-C4' energy: -33.732
flat angles P-C4'-P energy: -24.251
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: 6, replica: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -518.486867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.486867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.486867 (E_RNA)
where:
Base-Base interactions energy: -386.313
where: short stacking energy: -150.306
Base-Backbone interact. energy: -0.812
local terms energy: -131.361020
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -23.320
flat angles C4'-P-C4' energy: -27.007
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -45.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -514.571745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.571745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.571745 (E_RNA)
where:
Base-Base interactions energy: -376.290
where: short stacking energy: -144.240
Base-Backbone interact. energy: -0.336
local terms energy: -137.945432
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -27.169
flat angles C4'-P-C4' energy: -27.730
flat angles P-C4'-P energy: -20.730
tors. eta vs tors. theta energy: -43.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -512.203710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.203710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.203710 (E_RNA)
where:
Base-Base interactions energy: -374.243
where: short stacking energy: -143.647
Base-Backbone interact. energy: -0.029
local terms energy: -137.931582
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -23.304
flat angles C4'-P-C4' energy: -28.208
flat angles P-C4'-P energy: -22.869
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: 9, replica: 1
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -501.866534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.866534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.866534 (E_RNA)
where:
Base-Base interactions energy: -371.376
where: short stacking energy: -145.366
Base-Backbone interact. energy: -0.370
local terms energy: -130.119857
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -27.138
flat angles P-C4'-P energy: -23.236
tors. eta vs tors. theta energy: -42.417
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: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -469.040169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.040169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.040169 (E_RNA)
where:
Base-Base interactions energy: -354.725
where: short stacking energy: -139.341
Base-Backbone interact. energy: -0.387
local terms energy: -113.927850
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -21.969
flat angles C4'-P-C4' energy: -24.433
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -41.978
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: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -566.052020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.052020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.052020 (E_RNA)
where:
Base-Base interactions energy: -399.512
where: short stacking energy: -153.817
Base-Backbone interact. energy: -1.175
local terms energy: -165.365036
where:
bonds (distance) C4'-P energy: -28.134
bonds (distance) P-C4' energy: -30.427
flat angles C4'-P-C4' energy: -30.748
flat angles P-C4'-P energy: -26.951
tors. eta vs tors. theta energy: -49.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -566.857308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.857308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.857308 (E_RNA)
where:
Base-Base interactions energy: -407.607
where: short stacking energy: -161.943
Base-Backbone interact. energy: -0.001
local terms energy: -159.249235
where:
bonds (distance) C4'-P energy: -27.537
bonds (distance) P-C4' energy: -30.779
flat angles C4'-P-C4' energy: -30.974
flat angles P-C4'-P energy: -21.642
tors. eta vs tors. theta energy: -48.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -558.594686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.594686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.594686 (E_RNA)
where:
Base-Base interactions energy: -407.934
where: short stacking energy: -158.227
Base-Backbone interact. energy: 0.255
local terms energy: -150.915486
where:
bonds (distance) C4'-P energy: -22.791
bonds (distance) P-C4' energy: -27.154
flat angles C4'-P-C4' energy: -32.453
flat angles P-C4'-P energy: -20.432
tors. eta vs tors. theta energy: -48.086
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: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -547.020463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.020463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.020463 (E_RNA)
where:
Base-Base interactions energy: -395.156
where: short stacking energy: -157.271
Base-Backbone interact. energy: -0.158
local terms energy: -151.707263
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -25.251
flat angles C4'-P-C4' energy: -33.274
flat angles P-C4'-P energy: -26.077
tors. eta vs tors. theta energy: -47.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -533.150742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.150742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.150742 (E_RNA)
where:
Base-Base interactions energy: -377.887
where: short stacking energy: -148.051
Base-Backbone interact. energy: -0.095
local terms energy: -155.168444
where:
bonds (distance) C4'-P energy: -27.540
bonds (distance) P-C4' energy: -27.377
flat angles C4'-P-C4' energy: -30.854
flat angles P-C4'-P energy: -23.389
tors. eta vs tors. theta energy: -46.008
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: 6, replica: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -526.577603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.577603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.577603 (E_RNA)
where:
Base-Base interactions energy: -371.576
where: short stacking energy: -150.355
Base-Backbone interact. energy: -0.735
local terms energy: -154.267404
where:
bonds (distance) C4'-P energy: -23.773
bonds (distance) P-C4' energy: -29.465
flat angles C4'-P-C4' energy: -31.655
flat angles P-C4'-P energy: -21.499
tors. eta vs tors. theta energy: -47.875
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: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -507.738571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.738571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.738571 (E_RNA)
where:
Base-Base interactions energy: -373.302
where: short stacking energy: -146.104
Base-Backbone interact. energy: 0.014
local terms energy: -134.450094
where:
bonds (distance) C4'-P energy: -24.463
bonds (distance) P-C4' energy: -25.179
flat angles C4'-P-C4' energy: -26.538
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -43.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -522.718568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.718568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.718568 (E_RNA)
where:
Base-Base interactions energy: -379.795
where: short stacking energy: -143.584
Base-Backbone interact. energy: -0.407
local terms energy: -142.516049
where:
bonds (distance) C4'-P energy: -30.447
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -25.785
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: -43.682
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: 406
Temperature: 1.300000
Total energy: -509.552799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.552799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.552799 (E_RNA)
where:
Base-Base interactions energy: -380.145
where: short stacking energy: -146.955
Base-Backbone interact. energy: -0.902
local terms energy: -128.506134
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -25.433
flat angles C4'-P-C4' energy: -26.675
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -43.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -497.516274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.516274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.516274 (E_RNA)
where:
Base-Base interactions energy: -354.898
where: short stacking energy: -134.679
Base-Backbone interact. energy: -0.391
local terms energy: -142.226853
where:
bonds (distance) C4'-P energy: -26.112
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -31.029
flat angles P-C4'-P energy: -17.212
tors. eta vs tors. theta energy: -45.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -561.807731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.807731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.807731 (E_RNA)
where:
Base-Base interactions energy: -403.474
where: short stacking energy: -154.058
Base-Backbone interact. energy: -0.002
local terms energy: -158.331267
where:
bonds (distance) C4'-P energy: -30.164
bonds (distance) P-C4' energy: -28.818
flat angles C4'-P-C4' energy: -29.604
flat angles P-C4'-P energy: -22.159
tors. eta vs tors. theta energy: -47.587
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: 8
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -550.894152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.894152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.894152 (E_RNA)
where:
Base-Base interactions energy: -401.028
where: short stacking energy: -161.740
Base-Backbone interact. energy: -0.087
local terms energy: -149.778878
where:
bonds (distance) C4'-P energy: -24.247
bonds (distance) P-C4' energy: -26.391
flat angles C4'-P-C4' energy: -29.377
flat angles P-C4'-P energy: -21.748
tors. eta vs tors. theta energy: -48.015
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: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -553.661600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.661600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.661600 (E_RNA)
where:
Base-Base interactions energy: -397.920
where: short stacking energy: -156.754
Base-Backbone interact. energy: -0.947
local terms energy: -154.793934
where:
bonds (distance) C4'-P energy: -23.417
bonds (distance) P-C4' energy: -27.355
flat angles C4'-P-C4' energy: -32.335
flat angles P-C4'-P energy: -23.948
tors. eta vs tors. theta energy: -47.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -540.621428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.621428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.621428 (E_RNA)
where:
Base-Base interactions energy: -386.812
where: short stacking energy: -149.575
Base-Backbone interact. energy: -0.506
local terms energy: -153.303666
where:
bonds (distance) C4'-P energy: -28.128
bonds (distance) P-C4' energy: -25.899
flat angles C4'-P-C4' energy: -32.552
flat angles P-C4'-P energy: -22.007
tors. eta vs tors. theta energy: -44.717
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: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -538.217111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.217111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.217111 (E_RNA)
where:
Base-Base interactions energy: -389.409
where: short stacking energy: -150.257
Base-Backbone interact. energy: -1.315
local terms energy: -147.493233
where:
bonds (distance) C4'-P energy: -28.543
bonds (distance) P-C4' energy: -28.581
flat angles C4'-P-C4' energy: -24.234
flat angles P-C4'-P energy: -21.200
tors. eta vs tors. theta energy: -44.935
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: 407
Temperature: 1.150000
Total energy: -526.592160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.592160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.592160 (E_RNA)
where:
Base-Base interactions energy: -387.240
where: short stacking energy: -149.200
Base-Backbone interact. energy: -0.875
local terms energy: -138.477353
where:
bonds (distance) C4'-P energy: -25.093
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -27.451
flat angles P-C4'-P energy: -21.292
tors. eta vs tors. theta energy: -45.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -508.167204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.167204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.167204 (E_RNA)
where:
Base-Base interactions energy: -365.379
where: short stacking energy: -137.251
Base-Backbone interact. energy: -0.553
local terms energy: -142.234574
where:
bonds (distance) C4'-P energy: -28.320
bonds (distance) P-C4' energy: -25.910
flat angles C4'-P-C4' energy: -27.903
flat angles P-C4'-P energy: -18.268
tors. eta vs tors. theta energy: -41.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -510.002372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.002372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.002372 (E_RNA)
where:
Base-Base interactions energy: -378.802
where: short stacking energy: -150.330
Base-Backbone interact. energy: -0.044
local terms energy: -131.156977
where:
bonds (distance) C4'-P energy: -19.152
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -28.181
flat angles P-C4'-P energy: -19.567
tors. eta vs tors. theta energy: -44.955
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: 407
Temperature: 1.300000
Total energy: -505.681736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.681736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.681736 (E_RNA)
where:
Base-Base interactions energy: -367.492
where: short stacking energy: -144.121
Base-Backbone interact. energy: -0.191
local terms energy: -137.998460
where:
bonds (distance) C4'-P energy: -22.766
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -25.875
flat angles P-C4'-P energy: -21.007
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: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -498.929082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.929082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.929082 (E_RNA)
where:
Base-Base interactions energy: -360.728
where: short stacking energy: -143.778
Base-Backbone interact. energy: -0.005
local terms energy: -138.196149
where:
bonds (distance) C4'-P energy: -21.471
bonds (distance) P-C4' energy: -24.714
flat angles C4'-P-C4' energy: -27.713
flat angles P-C4'-P energy: -21.266
tors. eta vs tors. theta energy: -43.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -560.065082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.065082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.065082 (E_RNA)
where:
Base-Base interactions energy: -407.174
where: short stacking energy: -156.806
Base-Backbone interact. energy: -1.096
local terms energy: -151.795767
where:
bonds (distance) C4'-P energy: -22.457
bonds (distance) P-C4' energy: -26.772
flat angles C4'-P-C4' energy: -31.964
flat angles P-C4'-P energy: -22.981
tors. eta vs tors. theta energy: -47.622
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: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -557.640134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.640134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.640134 (E_RNA)
where:
Base-Base interactions energy: -408.330
where: short stacking energy: -156.475
Base-Backbone interact. energy: -1.132
local terms energy: -148.177652
where:
bonds (distance) C4'-P energy: -22.892
bonds (distance) P-C4' energy: -24.211
flat angles C4'-P-C4' energy: -26.517
flat angles P-C4'-P energy: -24.528
tors. eta vs tors. theta energy: -50.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -549.330609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.330609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.330609 (E_RNA)
where:
Base-Base interactions energy: -405.335
where: short stacking energy: -160.244
Base-Backbone interact. energy: -0.654
local terms energy: -143.340906
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -31.870
flat angles P-C4'-P energy: -22.810
tors. eta vs tors. theta energy: -46.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -542.342666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.342666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.342666 (E_RNA)
where:
Base-Base interactions energy: -404.026
where: short stacking energy: -154.181
Base-Backbone interact. energy: -0.046
local terms energy: -138.270835
where:
bonds (distance) C4'-P energy: -21.514
bonds (distance) P-C4' energy: -22.125
flat angles C4'-P-C4' energy: -29.883
flat angles P-C4'-P energy: -19.091
tors. eta vs tors. theta energy: -45.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -531.560940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.560940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.560940 (E_RNA)
where:
Base-Base interactions energy: -389.991
where: short stacking energy: -152.700
Base-Backbone interact. energy: -1.027
local terms energy: -140.542714
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -27.234
flat angles C4'-P-C4' energy: -31.796
flat angles P-C4'-P energy: -18.861
tors. eta vs tors. theta energy: -45.092
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: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -540.758517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.758517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.758517 (E_RNA)
where:
Base-Base interactions energy: -389.628
where: short stacking energy: -154.670
Base-Backbone interact. energy: -0.001
local terms energy: -151.129333
where:
bonds (distance) C4'-P energy: -25.430
bonds (distance) P-C4' energy: -27.270
flat angles C4'-P-C4' energy: -29.108
flat angles P-C4'-P energy: -22.398
tors. eta vs tors. theta energy: -46.923
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: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -512.156605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.156605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.156605 (E_RNA)
where:
Base-Base interactions energy: -378.661
where: short stacking energy: -146.666
Base-Backbone interact. energy: -0.525
local terms energy: -132.970465
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -28.133
flat angles C4'-P-C4' energy: -25.473
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -43.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -518.368603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.368603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.368603 (E_RNA)
where:
Base-Base interactions energy: -371.473
where: short stacking energy: -141.833
Base-Backbone interact. energy: -0.579
local terms energy: -146.315738
where:
bonds (distance) C4'-P energy: -26.543
bonds (distance) P-C4' energy: -28.175
flat angles C4'-P-C4' energy: -26.320
flat angles P-C4'-P energy: -20.799
tors. eta vs tors. theta energy: -44.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -506.082854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.082854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.082854 (E_RNA)
where:
Base-Base interactions energy: -376.462
where: short stacking energy: -147.536
Base-Backbone interact. energy: -1.623
local terms energy: -127.998281
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -25.486
flat angles P-C4'-P energy: -18.406
tors. eta vs tors. theta energy: -41.720
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: 408
Temperature: 1.350000
Total energy: -502.069817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.069817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.069817 (E_RNA)
where:
Base-Base interactions energy: -369.522
where: short stacking energy: -143.029
Base-Backbone interact. energy: -1.927
local terms energy: -130.621074
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -27.580
flat angles C4'-P-C4' energy: -27.630
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -45.893
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: 1, replica: 8
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -555.355982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.355982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.355982 (E_RNA)
where:
Base-Base interactions energy: -402.623
where: short stacking energy: -160.546
Base-Backbone interact. energy: -0.529
local terms energy: -152.204607
where:
bonds (distance) C4'-P energy: -29.976
bonds (distance) P-C4' energy: -21.511
flat angles C4'-P-C4' energy: -29.443
flat angles P-C4'-P energy: -24.490
tors. eta vs tors. theta energy: -46.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -560.337866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.337866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.337866 (E_RNA)
where:
Base-Base interactions energy: -397.209
where: short stacking energy: -156.828
Base-Backbone interact. energy: -0.650
local terms energy: -162.479251
where:
bonds (distance) C4'-P energy: -29.407
bonds (distance) P-C4' energy: -32.189
flat angles C4'-P-C4' energy: -28.681
flat angles P-C4'-P energy: -22.196
tors. eta vs tors. theta energy: -50.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -551.364809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.364809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.364809 (E_RNA)
where:
Base-Base interactions energy: -393.736
where: short stacking energy: -153.194
Base-Backbone interact. energy: -1.030
local terms energy: -156.598556
where:
bonds (distance) C4'-P energy: -29.212
bonds (distance) P-C4' energy: -27.830
flat angles C4'-P-C4' energy: -29.191
flat angles P-C4'-P energy: -23.503
tors. eta vs tors. theta energy: -46.862
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: 10
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -540.903750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.903750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.903750 (E_RNA)
where:
Base-Base interactions energy: -391.300
where: short stacking energy: -149.441
Base-Backbone interact. energy: -1.907
local terms energy: -147.696659
where:
bonds (distance) C4'-P energy: -24.338
bonds (distance) P-C4' energy: -29.282
flat angles C4'-P-C4' energy: -29.338
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -45.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -534.764319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.764319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.764319 (E_RNA)
where:
Base-Base interactions energy: -390.706
where: short stacking energy: -154.445
Base-Backbone interact. energy: -0.139
local terms energy: -143.919614
where:
bonds (distance) C4'-P energy: -28.403
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -31.008
flat angles P-C4'-P energy: -18.128
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: 6, replica: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -525.140650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.140650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.140650 (E_RNA)
where:
Base-Base interactions energy: -395.602
where: short stacking energy: -150.246
Base-Backbone interact. energy: -0.003
local terms energy: -129.535919
where:
bonds (distance) C4'-P energy: -21.299
bonds (distance) P-C4' energy: -25.711
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -46.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -512.638494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.638494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.638494 (E_RNA)
where:
Base-Base interactions energy: -370.489
where: short stacking energy: -142.897
Base-Backbone interact. energy: -0.008
local terms energy: -142.141685
where:
bonds (distance) C4'-P energy: -24.113
bonds (distance) P-C4' energy: -25.061
flat angles C4'-P-C4' energy: -26.581
flat angles P-C4'-P energy: -21.957
tors. eta vs tors. theta energy: -44.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -507.244655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.244655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.244655 (E_RNA)
where:
Base-Base interactions energy: -374.398
where: short stacking energy: -149.748
Base-Backbone interact. energy: -0.004
local terms energy: -132.842331
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -30.368
flat angles P-C4'-P energy: -17.629
tors. eta vs tors. theta energy: -46.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -515.112533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.112533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.112533 (E_RNA)
where:
Base-Base interactions energy: -375.289
where: short stacking energy: -141.965
Base-Backbone interact. energy: 0.376
local terms energy: -140.199724
where:
bonds (distance) C4'-P energy: -28.337
bonds (distance) P-C4' energy: -21.860
flat angles C4'-P-C4' energy: -28.082
flat angles P-C4'-P energy: -18.231
tors. eta vs tors. theta energy: -43.690
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: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -503.054147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.054147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.054147 (E_RNA)
where:
Base-Base interactions energy: -377.273
where: short stacking energy: -149.139
Base-Backbone interact. energy: -0.114
local terms energy: -125.667206
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -23.850
flat angles P-C4'-P energy: -16.818
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: 1, replica: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -556.816911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.816911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.816911 (E_RNA)
where:
Base-Base interactions energy: -395.189
where: short stacking energy: -154.294
Base-Backbone interact. energy: -0.067
local terms energy: -161.560673
where:
bonds (distance) C4'-P energy: -30.642
bonds (distance) P-C4' energy: -27.582
flat angles C4'-P-C4' energy: -31.597
flat angles P-C4'-P energy: -26.059
tors. eta vs tors. theta energy: -45.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -549.883114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.883114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.883114 (E_RNA)
where:
Base-Base interactions energy: -393.254
where: short stacking energy: -156.163
Base-Backbone interact. energy: -0.067
local terms energy: -156.562640
where:
bonds (distance) C4'-P energy: -27.274
bonds (distance) P-C4' energy: -31.388
flat angles C4'-P-C4' energy: -30.528
flat angles P-C4'-P energy: -21.527
tors. eta vs tors. theta energy: -45.847
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: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -563.013854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.013854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.013854 (E_RNA)
where:
Base-Base interactions energy: -414.432
where: short stacking energy: -163.370
Base-Backbone interact. energy: -0.093
local terms energy: -148.489208
where:
bonds (distance) C4'-P energy: -24.528
bonds (distance) P-C4' energy: -27.424
flat angles C4'-P-C4' energy: -28.750
flat angles P-C4'-P energy: -21.483
tors. eta vs tors. theta energy: -46.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -550.230033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.230033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.230033 (E_RNA)
where:
Base-Base interactions energy: -396.730
where: short stacking energy: -153.263
Base-Backbone interact. energy: -0.836
local terms energy: -152.663263
where:
bonds (distance) C4'-P energy: -24.061
bonds (distance) P-C4' energy: -29.868
flat angles C4'-P-C4' energy: -29.482
flat angles P-C4'-P energy: -20.024
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: 5, replica: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -538.724437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.724437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.724437 (E_RNA)
where:
Base-Base interactions energy: -397.472
where: short stacking energy: -151.460
Base-Backbone interact. energy: -0.286
local terms energy: -140.966910
where:
bonds (distance) C4'-P energy: -23.205
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -29.580
flat angles P-C4'-P energy: -22.663
tors. eta vs tors. theta energy: -42.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -532.859665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.859665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.859665 (E_RNA)
where:
Base-Base interactions energy: -386.332
where: short stacking energy: -148.233
Base-Backbone interact. energy: 1.461
local terms energy: -147.988325
where:
bonds (distance) C4'-P energy: -25.158
bonds (distance) P-C4' energy: -30.069
flat angles C4'-P-C4' energy: -26.297
flat angles P-C4'-P energy: -19.173
tors. eta vs tors. theta energy: -47.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -517.813433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.813433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.813433 (E_RNA)
where:
Base-Base interactions energy: -381.191
where: short stacking energy: -149.642
Base-Backbone interact. energy: -0.015
local terms energy: -136.607155
where:
bonds (distance) C4'-P energy: -28.718
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -26.645
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -42.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -517.928817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.928817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.928817 (E_RNA)
where:
Base-Base interactions energy: -383.094
where: short stacking energy: -151.842
Base-Backbone interact. energy: -1.144
local terms energy: -133.690849
where:
bonds (distance) C4'-P energy: -24.967
bonds (distance) P-C4' energy: -20.500
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -19.395
tors. eta vs tors. theta energy: -44.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -499.954171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.954171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.954171 (E_RNA)
where:
Base-Base interactions energy: -366.750
where: short stacking energy: -134.051
Base-Backbone interact. energy: -0.237
local terms energy: -132.967535
where:
bonds (distance) C4'-P energy: -26.234
bonds (distance) P-C4' energy: -22.934
flat angles C4'-P-C4' energy: -27.810
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: -39.898
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: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -503.827465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.827465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.827465 (E_RNA)
where:
Base-Base interactions energy: -372.060
where: short stacking energy: -142.624
Base-Backbone interact. energy: -0.280
local terms energy: -131.486776
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -28.125
flat angles P-C4'-P energy: -19.832
tors. eta vs tors. theta energy: -47.109
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: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -559.415068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.415068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.415068 (E_RNA)
where:
Base-Base interactions energy: -400.737
where: short stacking energy: -159.799
Base-Backbone interact. energy: -0.864
local terms energy: -157.814604
where:
bonds (distance) C4'-P energy: -30.259
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -31.433
flat angles P-C4'-P energy: -25.595
tors. eta vs tors. theta energy: -48.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -551.214451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.214451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.214451 (E_RNA)
where:
Base-Base interactions energy: -394.056
where: short stacking energy: -149.685
Base-Backbone interact. energy: -0.323
local terms energy: -156.835665
where:
bonds (distance) C4'-P energy: -28.398
bonds (distance) P-C4' energy: -26.547
flat angles C4'-P-C4' energy: -31.721
flat angles P-C4'-P energy: -22.844
tors. eta vs tors. theta energy: -47.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -541.898567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.898567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.898567 (E_RNA)
where:
Base-Base interactions energy: -391.139
where: short stacking energy: -154.778
Base-Backbone interact. energy: -0.121
local terms energy: -150.639458
where:
bonds (distance) C4'-P energy: -20.896
bonds (distance) P-C4' energy: -30.350
flat angles C4'-P-C4' energy: -33.871
flat angles P-C4'-P energy: -18.104
tors. eta vs tors. theta energy: -47.418
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: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -536.815674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.815674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.815674 (E_RNA)
where:
Base-Base interactions energy: -386.630
where: short stacking energy: -148.588
Base-Backbone interact. energy: -0.042
local terms energy: -150.143271
where:
bonds (distance) C4'-P energy: -27.708
bonds (distance) P-C4' energy: -26.687
flat angles C4'-P-C4' energy: -30.846
flat angles P-C4'-P energy: -20.490
tors. eta vs tors. theta energy: -44.413
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: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -548.090634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.090634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.090634 (E_RNA)
where:
Base-Base interactions energy: -396.499
where: short stacking energy: -159.464
Base-Backbone interact. energy: -0.698
local terms energy: -150.893610
where:
bonds (distance) C4'-P energy: -22.859
bonds (distance) P-C4' energy: -30.518
flat angles C4'-P-C4' energy: -29.424
flat angles P-C4'-P energy: -21.888
tors. eta vs tors. theta energy: -46.204
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: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -524.637187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.637187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.637187 (E_RNA)
where:
Base-Base interactions energy: -378.289
where: short stacking energy: -149.985
Base-Backbone interact. energy: -0.325
local terms energy: -146.023573
where:
bonds (distance) C4'-P energy: -25.042
bonds (distance) P-C4' energy: -24.893
flat angles C4'-P-C4' energy: -29.144
flat angles P-C4'-P energy: -23.221
tors. eta vs tors. theta energy: -43.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -524.137468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.137468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.137468 (E_RNA)
where:
Base-Base interactions energy: -379.323
where: short stacking energy: -145.030
Base-Backbone interact. energy: -1.076
local terms energy: -143.739129
where:
bonds (distance) C4'-P energy: -25.230
bonds (distance) P-C4' energy: -25.865
flat angles C4'-P-C4' energy: -29.707
flat angles P-C4'-P energy: -21.613
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: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -516.029408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.029408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.029408 (E_RNA)
where:
Base-Base interactions energy: -365.726
where: short stacking energy: -137.821
Base-Backbone interact. energy: -0.757
local terms energy: -149.546454
where:
bonds (distance) C4'-P energy: -27.119
bonds (distance) P-C4' energy: -26.386
flat angles C4'-P-C4' energy: -28.627
flat angles P-C4'-P energy: -22.178
tors. eta vs tors. theta energy: -45.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -498.606633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.606633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.606633 (E_RNA)
where:
Base-Base interactions energy: -360.539
where: short stacking energy: -134.359
Base-Backbone interact. energy: -0.587
local terms energy: -137.480745
where:
bonds (distance) C4'-P energy: -21.342
bonds (distance) P-C4' energy: -26.014
flat angles C4'-P-C4' energy: -31.449
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -40.988
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: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -489.506379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.506379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.506379 (E_RNA)
where:
Base-Base interactions energy: -365.510
where: short stacking energy: -142.923
Base-Backbone interact. energy: -0.677
local terms energy: -123.319401
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -22.942
flat angles P-C4'-P energy: -18.480
tors. eta vs tors. theta energy: -44.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -571.493004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.493004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.493004 (E_RNA)
where:
Base-Base interactions energy: -411.558
where: short stacking energy: -164.300
Base-Backbone interact. energy: -2.605
local terms energy: -157.330369
where:
bonds (distance) C4'-P energy: -25.840
bonds (distance) P-C4' energy: -30.781
flat angles C4'-P-C4' energy: -30.178
flat angles P-C4'-P energy: -23.577
tors. eta vs tors. theta energy: -46.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -549.754308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.754308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.754308 (E_RNA)
where:
Base-Base interactions energy: -400.058
where: short stacking energy: -160.372
Base-Backbone interact. energy: -0.812
local terms energy: -148.884137
where:
bonds (distance) C4'-P energy: -26.387
bonds (distance) P-C4' energy: -27.968
flat angles C4'-P-C4' energy: -27.879
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -45.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -543.651309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.651309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.651309 (E_RNA)
where:
Base-Base interactions energy: -389.546
where: short stacking energy: -151.739
Base-Backbone interact. energy: -0.513
local terms energy: -153.592652
where:
bonds (distance) C4'-P energy: -27.774
bonds (distance) P-C4' energy: -28.314
flat angles C4'-P-C4' energy: -30.203
flat angles P-C4'-P energy: -22.735
tors. eta vs tors. theta energy: -44.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -538.846576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.846576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.846576 (E_RNA)
where:
Base-Base interactions energy: -396.936
where: short stacking energy: -153.738
Base-Backbone interact. energy: -0.348
local terms energy: -141.561977
where:
bonds (distance) C4'-P energy: -26.201
bonds (distance) P-C4' energy: -22.612
flat angles C4'-P-C4' energy: -28.589
flat angles P-C4'-P energy: -21.079
tors. eta vs tors. theta energy: -43.082
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: 5, replica: 5
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -526.102131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.102131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.102131 (E_RNA)
where:
Base-Base interactions energy: -385.490
where: short stacking energy: -150.970
Base-Backbone interact. energy: -0.892
local terms energy: -139.720340
where:
bonds (distance) C4'-P energy: -26.018
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -30.670
flat angles P-C4'-P energy: -19.398
tors. eta vs tors. theta energy: -42.165
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: 6, replica: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -528.218696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.218696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.218696 (E_RNA)
where:
Base-Base interactions energy: -385.124
where: short stacking energy: -146.240
Base-Backbone interact. energy: -0.915
local terms energy: -142.180236
where:
bonds (distance) C4'-P energy: -28.151
bonds (distance) P-C4' energy: -24.419
flat angles C4'-P-C4' energy: -22.602
flat angles P-C4'-P energy: -20.360
tors. eta vs tors. theta energy: -46.648
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: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -515.134907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.134907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.134907 (E_RNA)
where:
Base-Base interactions energy: -384.648
where: short stacking energy: -142.525
Base-Backbone interact. energy: -0.301
local terms energy: -130.185192
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -20.683
flat angles C4'-P-C4' energy: -27.896
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -46.113
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: 3
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -502.686689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.686689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.686689 (E_RNA)
where:
Base-Base interactions energy: -357.742
where: short stacking energy: -134.871
Base-Backbone interact. energy: -1.067
local terms energy: -143.878319
where:
bonds (distance) C4'-P energy: -28.448
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -29.934
flat angles P-C4'-P energy: -19.579
tors. eta vs tors. theta energy: -43.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -505.053356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.053356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.053356 (E_RNA)
where:
Base-Base interactions energy: -387.789
where: short stacking energy: -149.254
Base-Backbone interact. energy: -1.129
local terms energy: -116.134963
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -27.955
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -44.243
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: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -484.714465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.714465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.714465 (E_RNA)
where:
Base-Base interactions energy: -355.397
where: short stacking energy: -131.236
Base-Backbone interact. energy: 0.962
local terms energy: -130.279201
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -27.719
flat angles C4'-P-C4' energy: -26.772
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -41.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -556.833231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.833231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.833231 (E_RNA)
where:
Base-Base interactions energy: -408.938
where: short stacking energy: -159.035
Base-Backbone interact. energy: -0.616
local terms energy: -147.279785
where:
bonds (distance) C4'-P energy: -24.402
bonds (distance) P-C4' energy: -26.060
flat angles C4'-P-C4' energy: -29.739
flat angles P-C4'-P energy: -21.095
tors. eta vs tors. theta energy: -45.983
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: 8
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -558.240580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.240580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.240580 (E_RNA)
where:
Base-Base interactions energy: -401.563
where: short stacking energy: -155.290
Base-Backbone interact. energy: -0.414
local terms energy: -156.264318
where:
bonds (distance) C4'-P energy: -31.172
bonds (distance) P-C4' energy: -24.466
flat angles C4'-P-C4' energy: -30.584
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -46.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -537.545446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.545446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.545446 (E_RNA)
where:
Base-Base interactions energy: -393.545
where: short stacking energy: -152.245
Base-Backbone interact. energy: -0.259
local terms energy: -143.740939
where:
bonds (distance) C4'-P energy: -25.291
bonds (distance) P-C4' energy: -23.932
flat angles C4'-P-C4' energy: -26.729
flat angles P-C4'-P energy: -22.565
tors. eta vs tors. theta energy: -45.224
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: 10
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -541.301467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.301467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.301467 (E_RNA)
where:
Base-Base interactions energy: -391.184
where: short stacking energy: -152.637
Base-Backbone interact. energy: -0.174
local terms energy: -149.943192
where:
bonds (distance) C4'-P energy: -29.687
bonds (distance) P-C4' energy: -25.698
flat angles C4'-P-C4' energy: -30.483
flat angles P-C4'-P energy: -19.024
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: 5, replica: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -525.145168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.145168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.145168 (E_RNA)
where:
Base-Base interactions energy: -380.802
where: short stacking energy: -143.789
Base-Backbone interact. energy: -1.208
local terms energy: -143.135201
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -27.483
flat angles C4'-P-C4' energy: -25.501
flat angles P-C4'-P energy: -24.361
tors. eta vs tors. theta energy: -45.147
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: 413
Temperature: 1.150000
Total energy: -529.605497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.605497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.605497 (E_RNA)
where:
Base-Base interactions energy: -383.111
where: short stacking energy: -151.315
Base-Backbone interact. energy: -0.426
local terms energy: -146.068639
where:
bonds (distance) C4'-P energy: -25.067
bonds (distance) P-C4' energy: -24.729
flat angles C4'-P-C4' energy: -29.386
flat angles P-C4'-P energy: -22.533
tors. eta vs tors. theta energy: -44.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -519.466831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.466831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.466831 (E_RNA)
where:
Base-Base interactions energy: -378.339
where: short stacking energy: -145.256
Base-Backbone interact. energy: 1.331
local terms energy: -142.458643
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -27.679
flat angles C4'-P-C4' energy: -30.386
flat angles P-C4'-P energy: -19.378
tors. eta vs tors. theta energy: -43.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -495.380381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.380381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.380381 (E_RNA)
where:
Base-Base interactions energy: -364.116
where: short stacking energy: -140.806
Base-Backbone interact. energy: -0.079
local terms energy: -131.185024
where:
bonds (distance) C4'-P energy: -21.802
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -25.975
flat angles P-C4'-P energy: -22.187
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: 9, replica: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -495.165780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.165780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.165780 (E_RNA)
where:
Base-Base interactions energy: -356.063
where: short stacking energy: -135.809
Base-Backbone interact. energy: -0.002
local terms energy: -139.100747
where:
bonds (distance) C4'-P energy: -22.284
bonds (distance) P-C4' energy: -25.256
flat angles C4'-P-C4' energy: -28.791
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -44.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -491.903929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.903929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.903929 (E_RNA)
where:
Base-Base interactions energy: -361.044
where: short stacking energy: -142.492
Base-Backbone interact. energy: -0.000
local terms energy: -130.859814
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -30.017
flat angles P-C4'-P energy: -25.083
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: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -560.254983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.254983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.254983 (E_RNA)
where:
Base-Base interactions energy: -405.746
where: short stacking energy: -160.444
Base-Backbone interact. energy: -0.006
local terms energy: -154.502463
where:
bonds (distance) C4'-P energy: -26.001
bonds (distance) P-C4' energy: -28.368
flat angles C4'-P-C4' energy: -33.810
flat angles P-C4'-P energy: -20.242
tors. eta vs tors. theta energy: -46.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -550.796250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.796250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.796250 (E_RNA)
where:
Base-Base interactions energy: -394.389
where: short stacking energy: -151.412
Base-Backbone interact. energy: -1.188
local terms energy: -155.219730
where:
bonds (distance) C4'-P energy: -27.644
bonds (distance) P-C4' energy: -26.109
flat angles C4'-P-C4' energy: -32.414
flat angles P-C4'-P energy: -23.087
tors. eta vs tors. theta energy: -45.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -555.686969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.686969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.686969 (E_RNA)
where:
Base-Base interactions energy: -397.684
where: short stacking energy: -157.374
Base-Backbone interact. energy: -0.745
local terms energy: -157.258077
where:
bonds (distance) C4'-P energy: -29.007
bonds (distance) P-C4' energy: -28.027
flat angles C4'-P-C4' energy: -28.338
flat angles P-C4'-P energy: -23.998
tors. eta vs tors. theta energy: -47.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -547.562707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.562707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.562707 (E_RNA)
where:
Base-Base interactions energy: -396.992
where: short stacking energy: -153.721
Base-Backbone interact. energy: -1.964
local terms energy: -148.606484
where:
bonds (distance) C4'-P energy: -27.387
bonds (distance) P-C4' energy: -27.523
flat angles C4'-P-C4' energy: -27.233
flat angles P-C4'-P energy: -19.156
tors. eta vs tors. theta energy: -47.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -526.779569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.779569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.779569 (E_RNA)
where:
Base-Base interactions energy: -378.648
where: short stacking energy: -147.437
Base-Backbone interact. energy: -0.526
local terms energy: -147.605396
where:
bonds (distance) C4'-P energy: -27.727
bonds (distance) P-C4' energy: -23.859
flat angles C4'-P-C4' energy: -29.009
flat angles P-C4'-P energy: -23.431
tors. eta vs tors. theta energy: -43.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -539.217220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.217220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.217220 (E_RNA)
where:
Base-Base interactions energy: -383.676
where: short stacking energy: -150.780
Base-Backbone interact. energy: -0.207
local terms energy: -155.334101
where:
bonds (distance) C4'-P energy: -28.501
bonds (distance) P-C4' energy: -27.631
flat angles C4'-P-C4' energy: -29.190
flat angles P-C4'-P energy: -24.185
tors. eta vs tors. theta energy: -45.827
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: 7, replica: 7
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -528.730254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.730254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.730254 (E_RNA)
where:
Base-Base interactions energy: -385.053
where: short stacking energy: -149.683
Base-Backbone interact. energy: -0.241
local terms energy: -143.436061
where:
bonds (distance) C4'-P energy: -22.992
bonds (distance) P-C4' energy: -27.819
flat angles C4'-P-C4' energy: -28.650
flat angles P-C4'-P energy: -18.788
tors. eta vs tors. theta energy: -45.186
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: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -510.598051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.598051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.598051 (E_RNA)
where:
Base-Base interactions energy: -376.126
where: short stacking energy: -138.515
Base-Backbone interact. energy: -0.588
local terms energy: -133.884123
where:
bonds (distance) C4'-P energy: -26.684
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -28.364
flat angles P-C4'-P energy: -20.101
tors. eta vs tors. theta energy: -39.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -507.038691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.038691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.038691 (E_RNA)
where:
Base-Base interactions energy: -377.403
where: short stacking energy: -148.992
Base-Backbone interact. energy: -0.161
local terms energy: -129.474019
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -24.942
flat angles P-C4'-P energy: -19.715
tors. eta vs tors. theta energy: -46.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -501.373107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.373107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.373107 (E_RNA)
where:
Base-Base interactions energy: -358.376
where: short stacking energy: -139.861
Base-Backbone interact. energy: -0.714
local terms energy: -142.283489
where:
bonds (distance) C4'-P energy: -22.768
bonds (distance) P-C4' energy: -27.634
flat angles C4'-P-C4' energy: -29.833
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -45.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -566.800606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.800606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.800606 (E_RNA)
where:
Base-Base interactions energy: -404.883
where: short stacking energy: -163.788
Base-Backbone interact. energy: -1.258
local terms energy: -160.660018
where:
bonds (distance) C4'-P energy: -29.142
bonds (distance) P-C4' energy: -29.018
flat angles C4'-P-C4' energy: -32.344
flat angles P-C4'-P energy: -22.001
tors. eta vs tors. theta energy: -48.155
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: 2, replica: 9
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -557.226351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.226351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.226351 (E_RNA)
where:
Base-Base interactions energy: -409.617
where: short stacking energy: -159.945
Base-Backbone interact. energy: -0.254
local terms energy: -147.355738
where:
bonds (distance) C4'-P energy: -23.144
bonds (distance) P-C4' energy: -26.876
flat angles C4'-P-C4' energy: -28.589
flat angles P-C4'-P energy: -20.841
tors. eta vs tors. theta energy: -47.906
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: 415
Temperature: 1.000000
Total energy: -548.838750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.838750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.838750 (E_RNA)
where:
Base-Base interactions energy: -403.404
where: short stacking energy: -157.480
Base-Backbone interact. energy: -0.001
local terms energy: -145.434235
where:
bonds (distance) C4'-P energy: -23.588
bonds (distance) P-C4' energy: -25.941
flat angles C4'-P-C4' energy: -28.874
flat angles P-C4'-P energy: -22.849
tors. eta vs tors. theta energy: -44.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -535.759893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.759893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.759893 (E_RNA)
where:
Base-Base interactions energy: -388.983
where: short stacking energy: -152.123
Base-Backbone interact. energy: -0.191
local terms energy: -146.585659
where:
bonds (distance) C4'-P energy: -26.979
bonds (distance) P-C4' energy: -25.019
flat angles C4'-P-C4' energy: -26.924
flat angles P-C4'-P energy: -22.509
tors. eta vs tors. theta energy: -45.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -532.586761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.586761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.586761 (E_RNA)
where:
Base-Base interactions energy: -398.246
where: short stacking energy: -158.940
Base-Backbone interact. energy: -1.130
local terms energy: -133.211261
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -25.809
flat angles P-C4'-P energy: -22.995
tors. eta vs tors. theta energy: -46.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -535.271977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.271977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.271977 (E_RNA)
where:
Base-Base interactions energy: -398.277
where: short stacking energy: -153.067
Base-Backbone interact. energy: -0.393
local terms energy: -136.602267
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -27.354
flat angles P-C4'-P energy: -19.469
tors. eta vs tors. theta energy: -46.794
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: 7
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -534.527137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.527137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.527137 (E_RNA)
where:
Base-Base interactions energy: -389.977
where: short stacking energy: -158.659
Base-Backbone interact. energy: -1.216
local terms energy: -143.333231
where:
bonds (distance) C4'-P energy: -21.070
bonds (distance) P-C4' energy: -24.158
flat angles C4'-P-C4' energy: -31.109
flat angles P-C4'-P energy: -20.765
tors. eta vs tors. theta energy: -46.230
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: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -521.246646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.246646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.246646 (E_RNA)
where:
Base-Base interactions energy: -368.625
where: short stacking energy: -139.422
Base-Backbone interact. energy: 0.218
local terms energy: -152.839412
where:
bonds (distance) C4'-P energy: -25.929
bonds (distance) P-C4' energy: -26.914
flat angles C4'-P-C4' energy: -32.083
flat angles P-C4'-P energy: -24.290
tors. eta vs tors. theta energy: -43.624
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: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -495.129306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.129306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.129306 (E_RNA)
where:
Base-Base interactions energy: -368.530
where: short stacking energy: -135.795
Base-Backbone interact. energy: -0.002
local terms energy: -126.597083
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -26.555
flat angles C4'-P-C4' energy: -27.167
flat angles P-C4'-P energy: -21.802
tors. eta vs tors. theta energy: -39.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -502.120760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.120760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.120760 (E_RNA)
where:
Base-Base interactions energy: -369.641
where: short stacking energy: -142.818
Base-Backbone interact. energy: -0.187
local terms energy: -132.292962
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -22.510
flat angles C4'-P-C4' energy: -25.222
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: -44.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -561.211371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.211371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.211371 (E_RNA)
where:
Base-Base interactions energy: -403.761
where: short stacking energy: -159.967
Base-Backbone interact. energy: -0.602
local terms energy: -156.848202
where:
bonds (distance) C4'-P energy: -27.277
bonds (distance) P-C4' energy: -29.215
flat angles C4'-P-C4' energy: -27.952
flat angles P-C4'-P energy: -22.951
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: 2, replica: 9
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -555.111016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.111016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.111016 (E_RNA)
where:
Base-Base interactions energy: -406.600
where: short stacking energy: -157.675
Base-Backbone interact. energy: -1.078
local terms energy: -147.433956
where:
bonds (distance) C4'-P energy: -27.123
bonds (distance) P-C4' energy: -27.991
flat angles C4'-P-C4' energy: -28.372
flat angles P-C4'-P energy: -17.246
tors. eta vs tors. theta energy: -46.702
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: 3, replica: 10
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -553.043625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.043625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.043625 (E_RNA)
where:
Base-Base interactions energy: -402.330
where: short stacking energy: -158.106
Base-Backbone interact. energy: 0.390
local terms energy: -151.104591
where:
bonds (distance) C4'-P energy: -23.294
bonds (distance) P-C4' energy: -27.968
flat angles C4'-P-C4' energy: -31.456
flat angles P-C4'-P energy: -20.581
tors. eta vs tors. theta energy: -47.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -545.183018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.183018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.183018 (E_RNA)
where:
Base-Base interactions energy: -392.715
where: short stacking energy: -152.113
Base-Backbone interact. energy: -0.119
local terms energy: -152.348149
where:
bonds (distance) C4'-P energy: -27.616
bonds (distance) P-C4' energy: -30.525
flat angles C4'-P-C4' energy: -31.724
flat angles P-C4'-P energy: -17.417
tors. eta vs tors. theta energy: -45.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -530.083975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.083975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.083975 (E_RNA)
where:
Base-Base interactions energy: -390.503
where: short stacking energy: -150.855
Base-Backbone interact. energy: -0.556
local terms energy: -139.025740
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -25.848
flat angles C4'-P-C4' energy: -30.039
flat angles P-C4'-P energy: -19.443
tors. eta vs tors. theta energy: -46.885
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: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -528.905382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.905382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.905382 (E_RNA)
where:
Base-Base interactions energy: -382.680
where: short stacking energy: -146.539
Base-Backbone interact. energy: -0.592
local terms energy: -145.633034
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -28.226
flat angles C4'-P-C4' energy: -28.893
flat angles P-C4'-P energy: -20.712
tors. eta vs tors. theta energy: -45.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -527.713435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.713435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.713435 (E_RNA)
where:
Base-Base interactions energy: -385.777
where: short stacking energy: -148.405
Base-Backbone interact. energy: -0.002
local terms energy: -141.934307
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -24.963
flat angles C4'-P-C4' energy: -29.532
flat angles P-C4'-P energy: -21.699
tors. eta vs tors. theta energy: -44.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -510.146318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.146318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.146318 (E_RNA)
where:
Base-Base interactions energy: -381.112
where: short stacking energy: -154.799
Base-Backbone interact. energy: -0.040
local terms energy: -128.994335
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -29.981
flat angles P-C4'-P energy: -18.186
tors. eta vs tors. theta energy: -44.520
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: 3
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -517.583199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.583199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.583199 (E_RNA)
where:
Base-Base interactions energy: -378.099
where: short stacking energy: -144.700
Base-Backbone interact. energy: -0.049
local terms energy: -139.435230
where:
bonds (distance) C4'-P energy: -24.586
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -27.736
flat angles P-C4'-P energy: -23.908
tors. eta vs tors. theta energy: -42.899
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: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -502.118894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.118894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.118894 (E_RNA)
where:
Base-Base interactions energy: -369.665
where: short stacking energy: -144.135
Base-Backbone interact. energy: -0.727
local terms energy: -131.727490
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -27.547
flat angles P-C4'-P energy: -22.711
tors. eta vs tors. theta energy: -47.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -563.593433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.593433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.593433 (E_RNA)
where:
Base-Base interactions energy: -410.320
where: short stacking energy: -162.548
Base-Backbone interact. energy: -0.517
local terms energy: -152.756413
where:
bonds (distance) C4'-P energy: -27.071
bonds (distance) P-C4' energy: -25.658
flat angles C4'-P-C4' energy: -32.296
flat angles P-C4'-P energy: -21.593
tors. eta vs tors. theta energy: -46.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -556.998887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.998887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.998887 (E_RNA)
where:
Base-Base interactions energy: -402.157
where: short stacking energy: -157.250
Base-Backbone interact. energy: -0.074
local terms energy: -154.767372
where:
bonds (distance) C4'-P energy: -25.265
bonds (distance) P-C4' energy: -25.017
flat angles C4'-P-C4' energy: -33.066
flat angles P-C4'-P energy: -23.821
tors. eta vs tors. theta energy: -47.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -549.536864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.536864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.536864 (E_RNA)
where:
Base-Base interactions energy: -395.240
where: short stacking energy: -156.246
Base-Backbone interact. energy: -0.512
local terms energy: -153.785276
where:
bonds (distance) C4'-P energy: -29.536
bonds (distance) P-C4' energy: -25.242
flat angles C4'-P-C4' energy: -28.141
flat angles P-C4'-P energy: -25.077
tors. eta vs tors. theta energy: -45.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -548.739858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.739858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.739858 (E_RNA)
where:
Base-Base interactions energy: -401.773
where: short stacking energy: -153.496
Base-Backbone interact. energy: -1.769
local terms energy: -145.197484
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -27.532
flat angles C4'-P-C4' energy: -27.641
flat angles P-C4'-P energy: -21.569
tors. eta vs tors. theta energy: -47.722
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: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -543.206019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.206019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.206019 (E_RNA)
where:
Base-Base interactions energy: -393.880
where: short stacking energy: -154.733
Base-Backbone interact. energy: -0.443
local terms energy: -148.882694
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -25.155
flat angles C4'-P-C4' energy: -31.999
flat angles P-C4'-P energy: -22.791
tors. eta vs tors. theta energy: -49.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -518.503850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.503850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.503850 (E_RNA)
where:
Base-Base interactions energy: -376.027
where: short stacking energy: -147.812
Base-Backbone interact. energy: -0.163
local terms energy: -142.313553
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -28.967
flat angles C4'-P-C4' energy: -27.332
flat angles P-C4'-P energy: -25.203
tors. eta vs tors. theta energy: -42.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -532.209256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.209256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.209256 (E_RNA)
where:
Base-Base interactions energy: -396.797
where: short stacking energy: -154.870
Base-Backbone interact. energy: -0.031
local terms energy: -135.381209
where:
bonds (distance) C4'-P energy: -21.907
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -29.225
flat angles P-C4'-P energy: -20.983
tors. eta vs tors. theta energy: -45.064
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: 3
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -516.043353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.043353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.043353 (E_RNA)
where:
Base-Base interactions energy: -371.765
where: short stacking energy: -146.023
Base-Backbone interact. energy: -0.030
local terms energy: -144.248216
where:
bonds (distance) C4'-P energy: -26.613
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -27.119
flat angles P-C4'-P energy: -20.935
tors. eta vs tors. theta energy: -47.577
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: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -497.928308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.928308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.928308 (E_RNA)
where:
Base-Base interactions energy: -367.952
where: short stacking energy: -140.590
Base-Backbone interact. energy: -0.010
local terms energy: -129.966643
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -25.874
flat angles C4'-P-C4' energy: -28.690
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -44.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -483.117776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.117776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.117776 (E_RNA)
where:
Base-Base interactions energy: -352.560
where: short stacking energy: -144.776
Base-Backbone interact. energy: 1.061
local terms energy: -131.619221
where:
bonds (distance) C4'-P energy: -23.447
bonds (distance) P-C4' energy: -25.005
flat angles C4'-P-C4' energy: -24.475
flat angles P-C4'-P energy: -15.470
tors. eta vs tors. theta energy: -43.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -564.299555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.299555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.299555 (E_RNA)
where:
Base-Base interactions energy: -405.929
where: short stacking energy: -158.730
Base-Backbone interact. energy: -1.059
local terms energy: -157.311624
where:
bonds (distance) C4'-P energy: -24.710
bonds (distance) P-C4' energy: -29.235
flat angles C4'-P-C4' energy: -32.921
flat angles P-C4'-P energy: -22.754
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: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -559.368567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.368567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.368567 (E_RNA)
where:
Base-Base interactions energy: -396.672
where: short stacking energy: -153.200
Base-Backbone interact. energy: -0.297
local terms energy: -162.400178
where:
bonds (distance) C4'-P energy: -30.750
bonds (distance) P-C4' energy: -28.793
flat angles C4'-P-C4' energy: -31.175
flat angles P-C4'-P energy: -24.558
tors. eta vs tors. theta energy: -47.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -549.152699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.152699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.152699 (E_RNA)
where:
Base-Base interactions energy: -401.112
where: short stacking energy: -155.500
Base-Backbone interact. energy: -0.960
local terms energy: -147.081133
where:
bonds (distance) C4'-P energy: -27.309
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -31.610
flat angles P-C4'-P energy: -19.045
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: 4, replica: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -539.757174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.757174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.757174 (E_RNA)
where:
Base-Base interactions energy: -385.956
where: short stacking energy: -146.187
Base-Backbone interact. energy: -1.061
local terms energy: -152.740041
where:
bonds (distance) C4'-P energy: -27.923
bonds (distance) P-C4' energy: -27.568
flat angles C4'-P-C4' energy: -27.839
flat angles P-C4'-P energy: -21.450
tors. eta vs tors. theta energy: -47.959
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: 5, replica: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -534.025273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.025273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.025273 (E_RNA)
where:
Base-Base interactions energy: -392.848
where: short stacking energy: -150.686
Base-Backbone interact. energy: -0.519
local terms energy: -140.657427
where:
bonds (distance) C4'-P energy: -28.262
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -29.462
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -44.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -530.207788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.207788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.207788 (E_RNA)
where:
Base-Base interactions energy: -393.702
where: short stacking energy: -151.786
Base-Backbone interact. energy: -0.605
local terms energy: -135.900924
where:
bonds (distance) C4'-P energy: -26.239
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -29.667
flat angles P-C4'-P energy: -18.538
tors. eta vs tors. theta energy: -43.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -520.628705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.628705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.628705 (E_RNA)
where:
Base-Base interactions energy: -379.629
where: short stacking energy: -145.479
Base-Backbone interact. energy: 0.627
local terms energy: -141.626469
where:
bonds (distance) C4'-P energy: -24.606
bonds (distance) P-C4' energy: -20.459
flat angles C4'-P-C4' energy: -30.916
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -44.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -513.459403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.459403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.459403 (E_RNA)
where:
Base-Base interactions energy: -373.040
where: short stacking energy: -145.383
Base-Backbone interact. energy: -0.517
local terms energy: -139.902623
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -26.646
flat angles C4'-P-C4' energy: -28.734
flat angles P-C4'-P energy: -21.975
tors. eta vs tors. theta energy: -46.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -504.872879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.872879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.872879 (E_RNA)
where:
Base-Base interactions energy: -371.771
where: short stacking energy: -141.562
Base-Backbone interact. energy: -0.588
local terms energy: -132.513640
where:
bonds (distance) C4'-P energy: -23.894
bonds (distance) P-C4' energy: -27.133
flat angles C4'-P-C4' energy: -27.298
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -39.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -489.282992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.282992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.282992 (E_RNA)
where:
Base-Base interactions energy: -357.961
where: short stacking energy: -139.019
Base-Backbone interact. energy: -0.635
local terms energy: -130.686511
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -21.330
flat angles C4'-P-C4' energy: -27.381
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -46.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -562.542914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.542914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.542914 (E_RNA)
where:
Base-Base interactions energy: -404.400
where: short stacking energy: -155.672
Base-Backbone interact. energy: -1.378
local terms energy: -156.764818
where:
bonds (distance) C4'-P energy: -26.772
bonds (distance) P-C4' energy: -29.071
flat angles C4'-P-C4' energy: -31.250
flat angles P-C4'-P energy: -21.827
tors. eta vs tors. theta energy: -47.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -552.454094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.454094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.454094 (E_RNA)
where:
Base-Base interactions energy: -391.744
where: short stacking energy: -149.923
Base-Backbone interact. energy: -1.050
local terms energy: -159.660782
where:
bonds (distance) C4'-P energy: -31.478
bonds (distance) P-C4' energy: -27.662
flat angles C4'-P-C4' energy: -30.612
flat angles P-C4'-P energy: -21.294
tors. eta vs tors. theta energy: -48.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -550.797491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.797491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.797491 (E_RNA)
where:
Base-Base interactions energy: -394.673
where: short stacking energy: -151.053
Base-Backbone interact. energy: -0.508
local terms energy: -155.617103
where:
bonds (distance) C4'-P energy: -25.861
bonds (distance) P-C4' energy: -29.932
flat angles C4'-P-C4' energy: -29.089
flat angles P-C4'-P energy: -24.272
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: 4, replica: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -553.408174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.408174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.408174 (E_RNA)
where:
Base-Base interactions energy: -402.340
where: short stacking energy: -157.930
Base-Backbone interact. energy: -0.282
local terms energy: -150.786366
where:
bonds (distance) C4'-P energy: -23.595
bonds (distance) P-C4' energy: -27.900
flat angles C4'-P-C4' energy: -28.995
flat angles P-C4'-P energy: -23.913
tors. eta vs tors. theta energy: -46.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -523.913485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.913485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.913485 (E_RNA)
where:
Base-Base interactions energy: -380.230
where: short stacking energy: -145.843
Base-Backbone interact. energy: -0.055
local terms energy: -143.628319
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -28.199
flat angles C4'-P-C4' energy: -28.873
flat angles P-C4'-P energy: -21.200
tors. eta vs tors. theta energy: -43.407
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: 3
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -517.099737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.099737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.099737 (E_RNA)
where:
Base-Base interactions energy: -374.648
where: short stacking energy: -146.887
Base-Backbone interact. energy: -0.056
local terms energy: -142.395771
where:
bonds (distance) C4'-P energy: -27.166
bonds (distance) P-C4' energy: -21.348
flat angles C4'-P-C4' energy: -30.600
flat angles P-C4'-P energy: -18.800
tors. eta vs tors. theta energy: -44.482
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: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -530.010190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.010190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.010190 (E_RNA)
where:
Base-Base interactions energy: -378.965
where: short stacking energy: -150.786
Base-Backbone interact. energy: -0.885
local terms energy: -150.160207
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -28.196
flat angles C4'-P-C4' energy: -28.079
flat angles P-C4'-P energy: -26.156
tors. eta vs tors. theta energy: -47.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -510.759040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.759040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.759040 (E_RNA)
where:
Base-Base interactions energy: -365.374
where: short stacking energy: -141.299
Base-Backbone interact. energy: -0.001
local terms energy: -145.384100
where:
bonds (distance) C4'-P energy: -27.252
bonds (distance) P-C4' energy: -26.113
flat angles C4'-P-C4' energy: -28.898
flat angles P-C4'-P energy: -19.417
tors. eta vs tors. theta energy: -43.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -487.347465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.347465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.347465 (E_RNA)
where:
Base-Base interactions energy: -349.881
where: short stacking energy: -127.973
Base-Backbone interact. energy: -0.076
local terms energy: -137.390604
where:
bonds (distance) C4'-P energy: -23.947
bonds (distance) P-C4' energy: -21.664
flat angles C4'-P-C4' energy: -28.629
flat angles P-C4'-P energy: -18.856
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: 10, replica: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -504.665655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.665655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.665655 (E_RNA)
where:
Base-Base interactions energy: -373.535
where: short stacking energy: -150.786
Base-Backbone interact. energy: -1.182
local terms energy: -129.949120
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -28.056
flat angles P-C4'-P energy: -18.243
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: 1, replica: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -562.617747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.617747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.617747 (E_RNA)
where:
Base-Base interactions energy: -407.520
where: short stacking energy: -159.470
Base-Backbone interact. energy: -2.186
local terms energy: -152.911700
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -27.785
flat angles C4'-P-C4' energy: -30.928
flat angles P-C4'-P energy: -25.096
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: 2, replica: 10
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -555.531427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.531427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.531427 (E_RNA)
where:
Base-Base interactions energy: -396.438
where: short stacking energy: -154.566
Base-Backbone interact. energy: -0.015
local terms energy: -159.078776
where:
bonds (distance) C4'-P energy: -26.990
bonds (distance) P-C4' energy: -29.073
flat angles C4'-P-C4' energy: -32.513
flat angles P-C4'-P energy: -22.316
tors. eta vs tors. theta energy: -48.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -547.126365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.126365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.126365 (E_RNA)
where:
Base-Base interactions energy: -395.694
where: short stacking energy: -155.431
Base-Backbone interact. energy: -0.265
local terms energy: -151.166956
where:
bonds (distance) C4'-P energy: -29.430
bonds (distance) P-C4' energy: -24.847
flat angles C4'-P-C4' energy: -26.978
flat angles P-C4'-P energy: -20.545
tors. eta vs tors. theta energy: -49.366
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: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -546.968501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.968501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.968501 (E_RNA)
where:
Base-Base interactions energy: -394.899
where: short stacking energy: -159.199
Base-Backbone interact. energy: -1.871
local terms energy: -150.198598
where:
bonds (distance) C4'-P energy: -28.751
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -30.803
flat angles P-C4'-P energy: -22.132
tors. eta vs tors. theta energy: -46.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -538.224634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.224634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.224634 (E_RNA)
where:
Base-Base interactions energy: -399.237
where: short stacking energy: -156.432
Base-Backbone interact. energy: -0.246
local terms energy: -138.740889
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -29.452
flat angles C4'-P-C4' energy: -26.292
flat angles P-C4'-P energy: -18.535
tors. eta vs tors. theta energy: -44.781
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: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -527.499180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.499180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.499180 (E_RNA)
where:
Base-Base interactions energy: -384.776
where: short stacking energy: -152.943
Base-Backbone interact. energy: -0.508
local terms energy: -142.215108
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -22.999
flat angles C4'-P-C4' energy: -30.736
flat angles P-C4'-P energy: -21.668
tors. eta vs tors. theta energy: -48.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -516.803248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.803248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.803248 (E_RNA)
where:
Base-Base interactions energy: -378.626
where: short stacking energy: -141.291
Base-Backbone interact. energy: -1.032
local terms energy: -137.145203
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -25.740
flat angles C4'-P-C4' energy: -28.934
flat angles P-C4'-P energy: -18.781
tors. eta vs tors. theta energy: -44.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -521.101714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.101714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.101714 (E_RNA)
where:
Base-Base interactions energy: -381.050
where: short stacking energy: -150.136
Base-Backbone interact. energy: 0.735
local terms energy: -140.786714
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -27.730
flat angles C4'-P-C4' energy: -27.393
flat angles P-C4'-P energy: -19.868
tors. eta vs tors. theta energy: -44.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -512.799194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.799194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.799194 (E_RNA)
where:
Base-Base interactions energy: -367.605
where: short stacking energy: -140.316
Base-Backbone interact. energy: -0.294
local terms energy: -144.899506
where:
bonds (distance) C4'-P energy: -23.893
bonds (distance) P-C4' energy: -27.637
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -20.587
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: 10, replica: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -483.212020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.212020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.212020 (E_RNA)
where:
Base-Base interactions energy: -350.983
where: short stacking energy: -143.787
Base-Backbone interact. energy: -0.130
local terms energy: -132.099083
where:
bonds (distance) C4'-P energy: -24.383
bonds (distance) P-C4' energy: -26.423
flat angles C4'-P-C4' energy: -24.910
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -44.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -570.680114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.680114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.680114 (E_RNA)
where:
Base-Base interactions energy: -411.952
where: short stacking energy: -162.397
Base-Backbone interact. energy: -0.824
local terms energy: -157.904857
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -30.718
flat angles C4'-P-C4' energy: -32.993
flat angles P-C4'-P energy: -23.507
tors. eta vs tors. theta energy: -47.717
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: 10
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -558.106359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.106359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.106359 (E_RNA)
where:
Base-Base interactions energy: -399.630
where: short stacking energy: -160.203
Base-Backbone interact. energy: -0.681
local terms energy: -157.795230
where:
bonds (distance) C4'-P energy: -25.016
bonds (distance) P-C4' energy: -30.299
flat angles C4'-P-C4' energy: -32.534
flat angles P-C4'-P energy: -21.657
tors. eta vs tors. theta energy: -48.290
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: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -552.576489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.576489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.576489 (E_RNA)
where:
Base-Base interactions energy: -405.158
where: short stacking energy: -161.082
Base-Backbone interact. energy: -0.121
local terms energy: -147.297221
where:
bonds (distance) C4'-P energy: -25.837
bonds (distance) P-C4' energy: -28.758
flat angles C4'-P-C4' energy: -25.424
flat angles P-C4'-P energy: -21.517
tors. eta vs tors. theta energy: -45.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -541.287266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.287266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.287266 (E_RNA)
where:
Base-Base interactions energy: -394.778
where: short stacking energy: -155.868
Base-Backbone interact. energy: -1.800
local terms energy: -144.709569
where:
bonds (distance) C4'-P energy: -25.818
bonds (distance) P-C4' energy: -28.197
flat angles C4'-P-C4' energy: -26.243
flat angles P-C4'-P energy: -17.807
tors. eta vs tors. theta energy: -46.644
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: 5, replica: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -532.165836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.165836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.165836 (E_RNA)
where:
Base-Base interactions energy: -384.233
where: short stacking energy: -148.751
Base-Backbone interact. energy: -1.021
local terms energy: -146.911565
where:
bonds (distance) C4'-P energy: -28.101
bonds (distance) P-C4' energy: -21.136
flat angles C4'-P-C4' energy: -30.609
flat angles P-C4'-P energy: -22.104
tors. eta vs tors. theta energy: -44.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -526.683369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.683369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.683369 (E_RNA)
where:
Base-Base interactions energy: -374.860
where: short stacking energy: -150.582
Base-Backbone interact. energy: -0.036
local terms energy: -151.787305
where:
bonds (distance) C4'-P energy: -26.692
bonds (distance) P-C4' energy: -28.789
flat angles C4'-P-C4' energy: -33.761
flat angles P-C4'-P energy: -18.019
tors. eta vs tors. theta energy: -44.527
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: 7, replica: 4
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -508.876070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.876070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.876070 (E_RNA)
where:
Base-Base interactions energy: -365.904
where: short stacking energy: -140.280
Base-Backbone interact. energy: -0.098
local terms energy: -142.874462
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -21.307
flat angles C4'-P-C4' energy: -29.701
flat angles P-C4'-P energy: -24.387
tors. eta vs tors. theta energy: -43.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -510.699801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.699801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.699801 (E_RNA)
where:
Base-Base interactions energy: -376.781
where: short stacking energy: -145.720
Base-Backbone interact. energy: -0.167
local terms energy: -133.750972
where:
bonds (distance) C4'-P energy: -28.532
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -27.643
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -44.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -502.779810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.779810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.779810 (E_RNA)
where:
Base-Base interactions energy: -367.983
where: short stacking energy: -140.031
Base-Backbone interact. energy: -1.178
local terms energy: -133.618965
where:
bonds (distance) C4'-P energy: -22.249
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -26.227
flat angles P-C4'-P energy: -20.297
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: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -503.285165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.285165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.285165 (E_RNA)
where:
Base-Base interactions energy: -361.127
where: short stacking energy: -145.782
Base-Backbone interact. energy: -0.218
local terms energy: -141.939375
where:
bonds (distance) C4'-P energy: -24.179
bonds (distance) P-C4' energy: -26.151
flat angles C4'-P-C4' energy: -24.311
flat angles P-C4'-P energy: -24.028
tors. eta vs tors. theta energy: -43.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -569.457888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.457888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.457888 (E_RNA)
where:
Base-Base interactions energy: -408.589
where: short stacking energy: -158.068
Base-Backbone interact. energy: -0.073
local terms energy: -160.796373
where:
bonds (distance) C4'-P energy: -28.184
bonds (distance) P-C4' energy: -25.496
flat angles C4'-P-C4' energy: -33.634
flat angles P-C4'-P energy: -24.896
tors. eta vs tors. theta energy: -48.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -557.089124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.089124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.089124 (E_RNA)
where:
Base-Base interactions energy: -405.650
where: short stacking energy: -155.792
Base-Backbone interact. energy: -1.833
local terms energy: -149.606456
where:
bonds (distance) C4'-P energy: -26.661
bonds (distance) P-C4' energy: -26.080
flat angles C4'-P-C4' energy: -25.481
flat angles P-C4'-P energy: -23.469
tors. eta vs tors. theta energy: -47.916
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: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -550.695480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.695480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.695480 (E_RNA)
where:
Base-Base interactions energy: -392.226
where: short stacking energy: -157.693
Base-Backbone interact. energy: -0.112
local terms energy: -158.356898
where:
bonds (distance) C4'-P energy: -26.905
bonds (distance) P-C4' energy: -30.438
flat angles C4'-P-C4' energy: -30.914
flat angles P-C4'-P energy: -24.042
tors. eta vs tors. theta energy: -46.058
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: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -539.844738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.844738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.844738 (E_RNA)
where:
Base-Base interactions energy: -391.131
where: short stacking energy: -150.672
Base-Backbone interact. energy: -0.242
local terms energy: -148.472091
where:
bonds (distance) C4'-P energy: -28.904
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -27.956
flat angles P-C4'-P energy: -22.951
tors. eta vs tors. theta energy: -46.011
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: 5, replica: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -526.524841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.524841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.524841 (E_RNA)
where:
Base-Base interactions energy: -382.750
where: short stacking energy: -149.865
Base-Backbone interact. energy: -0.766
local terms energy: -143.008827
where:
bonds (distance) C4'-P energy: -19.215
bonds (distance) P-C4' energy: -24.369
flat angles C4'-P-C4' energy: -32.319
flat angles P-C4'-P energy: -20.057
tors. eta vs tors. theta energy: -47.049
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: 2
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -534.588880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.588880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.588880 (E_RNA)
where:
Base-Base interactions energy: -382.472
where: short stacking energy: -142.188
Base-Backbone interact. energy: -0.521
local terms energy: -151.596503
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -32.588
flat angles C4'-P-C4' energy: -29.470
flat angles P-C4'-P energy: -23.166
tors. eta vs tors. theta energy: -42.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -513.625690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.625690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.625690 (E_RNA)
where:
Base-Base interactions energy: -382.488
where: short stacking energy: -149.681
Base-Backbone interact. energy: -0.291
local terms energy: -130.846242
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -26.326
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -19.938
tors. eta vs tors. theta energy: -46.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -524.503235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.503235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.503235 (E_RNA)
where:
Base-Base interactions energy: -387.221
where: short stacking energy: -156.259
Base-Backbone interact. energy: -0.704
local terms energy: -136.578453
where:
bonds (distance) C4'-P energy: -22.154
bonds (distance) P-C4' energy: -24.146
flat angles C4'-P-C4' energy: -27.256
flat angles P-C4'-P energy: -17.522
tors. eta vs tors. theta energy: -45.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -509.988510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.988510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.988510 (E_RNA)
where:
Base-Base interactions energy: -376.432
where: short stacking energy: -144.129
Base-Backbone interact. energy: 0.512
local terms energy: -134.068552
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -24.770
flat angles C4'-P-C4' energy: -27.096
flat angles P-C4'-P energy: -20.202
tors. eta vs tors. theta energy: -45.754
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: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -495.016779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.016779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.016779 (E_RNA)
where:
Base-Base interactions energy: -367.207
where: short stacking energy: -143.254
Base-Backbone interact. energy: -0.002
local terms energy: -127.807364
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -28.737
flat angles P-C4'-P energy: -20.895
tors. eta vs tors. theta energy: -43.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -559.653643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.653643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.653643 (E_RNA)
where:
Base-Base interactions energy: -407.527
where: short stacking energy: -159.809
Base-Backbone interact. energy: -1.099
local terms energy: -151.027807
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -26.744
flat angles C4'-P-C4' energy: -29.742
flat angles P-C4'-P energy: -23.982
tors. eta vs tors. theta energy: -47.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -562.819640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.819640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.819640 (E_RNA)
where:
Base-Base interactions energy: -408.657
where: short stacking energy: -156.805
Base-Backbone interact. energy: -0.011
local terms energy: -154.151378
where:
bonds (distance) C4'-P energy: -29.272
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -32.511
flat angles P-C4'-P energy: -25.952
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: 3, replica: 1
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -554.466807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.466807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.466807 (E_RNA)
where:
Base-Base interactions energy: -402.601
where: short stacking energy: -158.373
Base-Backbone interact. energy: -0.001
local terms energy: -151.865253
where:
bonds (distance) C4'-P energy: -24.129
bonds (distance) P-C4' energy: -25.365
flat angles C4'-P-C4' energy: -29.231
flat angles P-C4'-P energy: -24.480
tors. eta vs tors. theta energy: -48.659
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: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -542.108911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.108911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.108911 (E_RNA)
where:
Base-Base interactions energy: -399.810
where: short stacking energy: -147.265
Base-Backbone interact. energy: -0.173
local terms energy: -142.125988
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -25.976
flat angles C4'-P-C4' energy: -30.838
flat angles P-C4'-P energy: -22.324
tors. eta vs tors. theta energy: -44.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -531.958885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.958885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.958885 (E_RNA)
where:
Base-Base interactions energy: -389.374
where: short stacking energy: -155.708
Base-Backbone interact. energy: -0.001
local terms energy: -142.583611
where:
bonds (distance) C4'-P energy: -24.117
bonds (distance) P-C4' energy: -22.709
flat angles C4'-P-C4' energy: -30.171
flat angles P-C4'-P energy: -20.014
tors. eta vs tors. theta energy: -45.574
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: 2
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -528.700679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.700679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.700679 (E_RNA)
where:
Base-Base interactions energy: -379.110
where: short stacking energy: -153.509
Base-Backbone interact. energy: -0.514
local terms energy: -149.076641
where:
bonds (distance) C4'-P energy: -27.509
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -30.750
flat angles P-C4'-P energy: -24.509
tors. eta vs tors. theta energy: -48.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -521.747939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.747939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.747939 (E_RNA)
where:
Base-Base interactions energy: -383.421
where: short stacking energy: -149.827
Base-Backbone interact. energy: -0.747
local terms energy: -137.580016
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -26.711
flat angles C4'-P-C4' energy: -28.378
flat angles P-C4'-P energy: -20.717
tors. eta vs tors. theta energy: -42.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -493.800967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.800967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.800967 (E_RNA)
where:
Base-Base interactions energy: -365.557
where: short stacking energy: -144.836
Base-Backbone interact. energy: -0.095
local terms energy: -128.148445
where:
bonds (distance) C4'-P energy: -21.463
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -27.380
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -43.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -504.229342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.229342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.229342 (E_RNA)
where:
Base-Base interactions energy: -370.278
where: short stacking energy: -146.757
Base-Backbone interact. energy: -0.086
local terms energy: -133.865272
where:
bonds (distance) C4'-P energy: -22.267
bonds (distance) P-C4' energy: -25.204
flat angles C4'-P-C4' energy: -28.689
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -41.946
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: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -494.094124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.094124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.094124 (E_RNA)
where:
Base-Base interactions energy: -370.123
where: short stacking energy: -141.368
Base-Backbone interact. energy: -0.088
local terms energy: -123.883268
where:
bonds (distance) C4'-P energy: -18.868
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -31.331
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -36.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -559.433288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.433288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.433288 (E_RNA)
where:
Base-Base interactions energy: -404.800
where: short stacking energy: -160.460
Base-Backbone interact. energy: -0.877
local terms energy: -153.756803
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -26.470
flat angles C4'-P-C4' energy: -28.928
flat angles P-C4'-P energy: -25.681
tors. eta vs tors. theta energy: -48.245
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: 10
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -556.089470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.089470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.089470 (E_RNA)
where:
Base-Base interactions energy: -395.311
where: short stacking energy: -154.364
Base-Backbone interact. energy: -1.573
local terms energy: -159.205636
where:
bonds (distance) C4'-P energy: -31.746
bonds (distance) P-C4' energy: -27.662
flat angles C4'-P-C4' energy: -30.261
flat angles P-C4'-P energy: -24.051
tors. eta vs tors. theta energy: -45.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -547.948835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.948835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.948835 (E_RNA)
where:
Base-Base interactions energy: -397.444
where: short stacking energy: -157.931
Base-Backbone interact. energy: -0.015
local terms energy: -150.489070
where:
bonds (distance) C4'-P energy: -24.428
bonds (distance) P-C4' energy: -27.933
flat angles C4'-P-C4' energy: -28.758
flat angles P-C4'-P energy: -21.226
tors. eta vs tors. theta energy: -48.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -541.310938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.310938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.310938 (E_RNA)
where:
Base-Base interactions energy: -395.844
where: short stacking energy: -153.894
Base-Backbone interact. energy: -0.452
local terms energy: -145.015076
where:
bonds (distance) C4'-P energy: -23.505
bonds (distance) P-C4' energy: -26.569
flat angles C4'-P-C4' energy: -23.833
flat angles P-C4'-P energy: -25.482
tors. eta vs tors. theta energy: -45.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -533.701532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.701532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.701532 (E_RNA)
where:
Base-Base interactions energy: -382.661
where: short stacking energy: -152.273
Base-Backbone interact. energy: -1.693
local terms energy: -149.348319
where:
bonds (distance) C4'-P energy: -28.116
bonds (distance) P-C4' energy: -26.854
flat angles C4'-P-C4' energy: -27.065
flat angles P-C4'-P energy: -21.616
tors. eta vs tors. theta energy: -45.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -532.363189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.363189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.363189 (E_RNA)
where:
Base-Base interactions energy: -380.931
where: short stacking energy: -152.287
Base-Backbone interact. energy: -0.054
local terms energy: -151.378118
where:
bonds (distance) C4'-P energy: -24.776
bonds (distance) P-C4' energy: -27.426
flat angles C4'-P-C4' energy: -30.383
flat angles P-C4'-P energy: -20.602
tors. eta vs tors. theta energy: -48.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -517.613903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.613903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.613903 (E_RNA)
where:
Base-Base interactions energy: -375.809
where: short stacking energy: -147.173
Base-Backbone interact. energy: -1.658
local terms energy: -140.146915
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -21.871
flat angles C4'-P-C4' energy: -31.202
flat angles P-C4'-P energy: -20.544
tors. eta vs tors. theta energy: -43.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -512.125203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.125203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.125203 (E_RNA)
where:
Base-Base interactions energy: -386.595
where: short stacking energy: -151.898
Base-Backbone interact. energy: 0.049
local terms energy: -125.578957
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -25.628
flat angles P-C4'-P energy: -20.012
tors. eta vs tors. theta energy: -42.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -507.792680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.792680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.792680 (E_RNA)
where:
Base-Base interactions energy: -377.433
where: short stacking energy: -149.267
Base-Backbone interact. energy: -0.055
local terms energy: -130.304566
where:
bonds (distance) C4'-P energy: -23.390
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -25.208
flat angles P-C4'-P energy: -18.572
tors. eta vs tors. theta energy: -44.850
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: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -504.703396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.703396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.703396 (E_RNA)
where:
Base-Base interactions energy: -373.603
where: short stacking energy: -142.929
Base-Backbone interact. energy: -0.159
local terms energy: -130.941521
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -22.659
flat angles C4'-P-C4' energy: -29.161
flat angles P-C4'-P energy: -20.259
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: 1, replica: 9
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -564.672839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.672839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.672839 (E_RNA)
where:
Base-Base interactions energy: -406.104
where: short stacking energy: -153.333
Base-Backbone interact. energy: -1.179
local terms energy: -157.389837
where:
bonds (distance) C4'-P energy: -28.287
bonds (distance) P-C4' energy: -29.128
flat angles C4'-P-C4' energy: -31.001
flat angles P-C4'-P energy: -24.221
tors. eta vs tors. theta energy: -44.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -551.971665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.971665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.971665 (E_RNA)
where:
Base-Base interactions energy: -405.874
where: short stacking energy: -161.147
Base-Backbone interact. energy: -0.292
local terms energy: -145.805512
where:
bonds (distance) C4'-P energy: -23.623
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -32.225
flat angles P-C4'-P energy: -22.828
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: 3, replica: 1
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -542.286321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.286321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.286321 (E_RNA)
where:
Base-Base interactions energy: -393.584
where: short stacking energy: -147.631
Base-Backbone interact. energy: -0.523
local terms energy: -148.179506
where:
bonds (distance) C4'-P energy: -25.985
bonds (distance) P-C4' energy: -24.714
flat angles C4'-P-C4' energy: -30.542
flat angles P-C4'-P energy: -22.318
tors. eta vs tors. theta energy: -44.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -543.848802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.848802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.848802 (E_RNA)
where:
Base-Base interactions energy: -392.885
where: short stacking energy: -159.812
Base-Backbone interact. energy: -1.030
local terms energy: -149.933551
where:
bonds (distance) C4'-P energy: -31.044
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -28.016
flat angles P-C4'-P energy: -21.011
tors. eta vs tors. theta energy: -47.413
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: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -536.998308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.998308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.998308 (E_RNA)
where:
Base-Base interactions energy: -387.806
where: short stacking energy: -151.124
Base-Backbone interact. energy: -1.081
local terms energy: -148.111051
where:
bonds (distance) C4'-P energy: -25.634
bonds (distance) P-C4' energy: -25.246
flat angles C4'-P-C4' energy: -32.210
flat angles P-C4'-P energy: -18.709
tors. eta vs tors. theta energy: -46.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -532.806207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.806207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.806207 (E_RNA)
where:
Base-Base interactions energy: -384.186
where: short stacking energy: -144.870
Base-Backbone interact. energy: -1.336
local terms energy: -147.284696
where:
bonds (distance) C4'-P energy: -26.191
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -31.598
flat angles P-C4'-P energy: -21.432
tors. eta vs tors. theta energy: -45.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -512.303351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.303351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.303351 (E_RNA)
where:
Base-Base interactions energy: -377.065
where: short stacking energy: -149.226
Base-Backbone interact. energy: -0.118
local terms energy: -135.119924
where:
bonds (distance) C4'-P energy: -24.215
bonds (distance) P-C4' energy: -26.813
flat angles C4'-P-C4' energy: -26.107
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -43.121
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: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -498.060626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.060626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.060626 (E_RNA)
where:
Base-Base interactions energy: -366.268
where: short stacking energy: -138.175
Base-Backbone interact. energy: -0.750
local terms energy: -131.042566
where:
bonds (distance) C4'-P energy: -26.510
bonds (distance) P-C4' energy: -21.295
flat angles C4'-P-C4' energy: -26.331
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -43.267
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: 5
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -495.861429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.861429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.861429 (E_RNA)
where:
Base-Base interactions energy: -369.188
where: short stacking energy: -135.719
Base-Backbone interact. energy: -0.275
local terms energy: -126.398097
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -29.589
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -39.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -489.829185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.829185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.829185 (E_RNA)
where:
Base-Base interactions energy: -360.691
where: short stacking energy: -139.278
Base-Backbone interact. energy: -0.009
local terms energy: -129.128668
where:
bonds (distance) C4'-P energy: -23.889
bonds (distance) P-C4' energy: -24.924
flat angles C4'-P-C4' energy: -26.168
flat angles P-C4'-P energy: -17.133
tors. eta vs tors. theta energy: -37.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -569.497730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.497730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.497730 (E_RNA)
where:
Base-Base interactions energy: -409.981
where: short stacking energy: -156.997
Base-Backbone interact. energy: -1.152
local terms energy: -158.364470
where:
bonds (distance) C4'-P energy: -27.787
bonds (distance) P-C4' energy: -27.983
flat angles C4'-P-C4' energy: -30.074
flat angles P-C4'-P energy: -25.697
tors. eta vs tors. theta energy: -46.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -559.062178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.062178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.062178 (E_RNA)
where:
Base-Base interactions energy: -400.249
where: short stacking energy: -158.757
Base-Backbone interact. energy: -1.266
local terms energy: -157.547364
where:
bonds (distance) C4'-P energy: -28.307
bonds (distance) P-C4' energy: -28.908
flat angles C4'-P-C4' energy: -31.797
flat angles P-C4'-P energy: -21.871
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: 426
Temperature: 1.000000
Total energy: -550.451973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.451973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.451973 (E_RNA)
where:
Base-Base interactions energy: -397.908
where: short stacking energy: -154.782
Base-Backbone interact. energy: -0.466
local terms energy: -152.077994
where:
bonds (distance) C4'-P energy: -23.831
bonds (distance) P-C4' energy: -26.674
flat angles C4'-P-C4' energy: -32.993
flat angles P-C4'-P energy: -21.874
tors. eta vs tors. theta energy: -46.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -536.504962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.504962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.504962 (E_RNA)
where:
Base-Base interactions energy: -388.219
where: short stacking energy: -151.312
Base-Backbone interact. energy: -0.603
local terms energy: -147.683590
where:
bonds (distance) C4'-P energy: -22.635
bonds (distance) P-C4' energy: -29.632
flat angles C4'-P-C4' energy: -31.101
flat angles P-C4'-P energy: -19.310
tors. eta vs tors. theta energy: -45.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -536.320244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.320244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.320244 (E_RNA)
where:
Base-Base interactions energy: -393.935
where: short stacking energy: -154.266
Base-Backbone interact. energy: 1.185
local terms energy: -143.570925
where:
bonds (distance) C4'-P energy: -28.201
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -32.543
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -45.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -540.888031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.888031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.888031 (E_RNA)
where:
Base-Base interactions energy: -389.838
where: short stacking energy: -155.831
Base-Backbone interact. energy: -0.010
local terms energy: -151.039628
where:
bonds (distance) C4'-P energy: -26.279
bonds (distance) P-C4' energy: -28.173
flat angles C4'-P-C4' energy: -28.870
flat angles P-C4'-P energy: -21.740
tors. eta vs tors. theta energy: -45.978
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: 4
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -510.462055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.462055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.462055 (E_RNA)
where:
Base-Base interactions energy: -378.361
where: short stacking energy: -151.711
Base-Backbone interact. energy: -0.109
local terms energy: -131.992488
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -24.067
flat angles C4'-P-C4' energy: -28.245
flat angles P-C4'-P energy: -17.232
tors. eta vs tors. theta energy: -44.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -512.613743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.613743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.613743 (E_RNA)
where:
Base-Base interactions energy: -372.698
where: short stacking energy: -141.198
Base-Backbone interact. energy: -0.005
local terms energy: -139.910882
where:
bonds (distance) C4'-P energy: -21.360
bonds (distance) P-C4' energy: -25.868
flat angles C4'-P-C4' energy: -30.088
flat angles P-C4'-P energy: -22.363
tors. eta vs tors. theta energy: -40.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -496.098450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.098450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.098450 (E_RNA)
where:
Base-Base interactions energy: -350.332
where: short stacking energy: -133.627
Base-Backbone interact. energy: -2.229
local terms energy: -143.538205
where:
bonds (distance) C4'-P energy: -21.312
bonds (distance) P-C4' energy: -28.419
flat angles C4'-P-C4' energy: -29.385
flat angles P-C4'-P energy: -18.712
tors. eta vs tors. theta energy: -45.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -489.977044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.977044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.977044 (E_RNA)
where:
Base-Base interactions energy: -342.736
where: short stacking energy: -135.746
Base-Backbone interact. energy: 0.423
local terms energy: -147.664505
where:
bonds (distance) C4'-P energy: -33.685
bonds (distance) P-C4' energy: -24.000
flat angles C4'-P-C4' energy: -24.484
flat angles P-C4'-P energy: -22.903
tors. eta vs tors. theta energy: -42.592
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: 1, replica: 10
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -560.801469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.801469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.801469 (E_RNA)
where:
Base-Base interactions energy: -406.465
where: short stacking energy: -149.159
Base-Backbone interact. energy: -0.801
local terms energy: -153.535559
where:
bonds (distance) C4'-P energy: -25.682
bonds (distance) P-C4' energy: -26.210
flat angles C4'-P-C4' energy: -28.578
flat angles P-C4'-P energy: -24.001
tors. eta vs tors. theta energy: -49.065
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: 9
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -555.383000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.383000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.383000 (E_RNA)
where:
Base-Base interactions energy: -404.838
where: short stacking energy: -159.376
Base-Backbone interact. energy: -0.291
local terms energy: -150.254123
where:
bonds (distance) C4'-P energy: -22.358
bonds (distance) P-C4' energy: -25.211
flat angles C4'-P-C4' energy: -34.181
flat angles P-C4'-P energy: -22.617
tors. eta vs tors. theta energy: -45.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -547.809342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.809342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.809342 (E_RNA)
where:
Base-Base interactions energy: -391.562
where: short stacking energy: -152.151
Base-Backbone interact. energy: -0.468
local terms energy: -155.780119
where:
bonds (distance) C4'-P energy: -26.200
bonds (distance) P-C4' energy: -24.522
flat angles C4'-P-C4' energy: -29.752
flat angles P-C4'-P energy: -27.020
tors. eta vs tors. theta energy: -48.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -538.241314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.241314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.241314 (E_RNA)
where:
Base-Base interactions energy: -390.105
where: short stacking energy: -153.931
Base-Backbone interact. energy: -1.286
local terms energy: -146.849647
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -25.842
flat angles C4'-P-C4' energy: -32.260
flat angles P-C4'-P energy: -19.467
tors. eta vs tors. theta energy: -47.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -528.415035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.415035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.415035 (E_RNA)
where:
Base-Base interactions energy: -388.476
where: short stacking energy: -151.886
Base-Backbone interact. energy: -1.095
local terms energy: -138.844280
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -29.229
flat angles C4'-P-C4' energy: -25.641
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -42.170
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: 4
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -511.191249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.191249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.191249 (E_RNA)
where:
Base-Base interactions energy: -374.838
where: short stacking energy: -143.927
Base-Backbone interact. energy: -1.349
local terms energy: -135.004278
where:
bonds (distance) C4'-P energy: -26.593
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -25.324
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: -42.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -511.997420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.997420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.997420 (E_RNA)
where:
Base-Base interactions energy: -370.721
where: short stacking energy: -145.849
Base-Backbone interact. energy: -0.004
local terms energy: -141.272897
where:
bonds (distance) C4'-P energy: -26.175
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -31.921
flat angles P-C4'-P energy: -21.185
tors. eta vs tors. theta energy: -42.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -512.407146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.407146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.407146 (E_RNA)
where:
Base-Base interactions energy: -368.303
where: short stacking energy: -143.199
Base-Backbone interact. energy: -0.624
local terms energy: -143.480352
where:
bonds (distance) C4'-P energy: -26.223
bonds (distance) P-C4' energy: -24.040
flat angles C4'-P-C4' energy: -29.730
flat angles P-C4'-P energy: -18.400
tors. eta vs tors. theta energy: -45.087
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: 2
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -508.904654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.904654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.904654 (E_RNA)
where:
Base-Base interactions energy: -368.438
where: short stacking energy: -136.618
Base-Backbone interact. energy: -0.624
local terms energy: -139.843153
where:
bonds (distance) C4'-P energy: -24.722
bonds (distance) P-C4' energy: -28.051
flat angles C4'-P-C4' energy: -27.221
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -44.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -501.649711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.649711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.649711 (E_RNA)
where:
Base-Base interactions energy: -378.731
where: short stacking energy: -150.878
Base-Backbone interact. energy: -1.201
local terms energy: -121.717346
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -27.239
flat angles P-C4'-P energy: -24.303
tors. eta vs tors. theta energy: -44.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -562.698995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.698995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.698995 (E_RNA)
where:
Base-Base interactions energy: -402.064
where: short stacking energy: -154.196
Base-Backbone interact. energy: -0.996
local terms energy: -159.639618
where:
bonds (distance) C4'-P energy: -30.410
bonds (distance) P-C4' energy: -28.143
flat angles C4'-P-C4' energy: -26.508
flat angles P-C4'-P energy: -26.546
tors. eta vs tors. theta energy: -48.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -555.504230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.504230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.504230 (E_RNA)
where:
Base-Base interactions energy: -397.199
where: short stacking energy: -153.689
Base-Backbone interact. energy: -0.217
local terms energy: -158.088563
where:
bonds (distance) C4'-P energy: -27.794
bonds (distance) P-C4' energy: -31.197
flat angles C4'-P-C4' energy: -30.976
flat angles P-C4'-P energy: -20.907
tors. eta vs tors. theta energy: -47.216
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: 1
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -552.050858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.050858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.050858 (E_RNA)
where:
Base-Base interactions energy: -404.317
where: short stacking energy: -158.074
Base-Backbone interact. energy: -2.042
local terms energy: -145.692307
where:
bonds (distance) C4'-P energy: -23.574
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -27.427
flat angles P-C4'-P energy: -25.337
tors. eta vs tors. theta energy: -46.352
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: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -542.790135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.790135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.790135 (E_RNA)
where:
Base-Base interactions energy: -388.180
where: short stacking energy: -156.357
Base-Backbone interact. energy: -0.411
local terms energy: -154.198491
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -29.112
flat angles C4'-P-C4' energy: -32.108
flat angles P-C4'-P energy: -20.293
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: 8
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -533.668639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.668639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.668639 (E_RNA)
where:
Base-Base interactions energy: -397.820
where: short stacking energy: -158.259
Base-Backbone interact. energy: -0.782
local terms energy: -135.066734
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -27.713
flat angles C4'-P-C4' energy: -27.960
flat angles P-C4'-P energy: -20.935
tors. eta vs tors. theta energy: -43.541
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: 4
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -520.691426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.691426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.691426 (E_RNA)
where:
Base-Base interactions energy: -390.849
where: short stacking energy: -154.914
Base-Backbone interact. energy: -0.002
local terms energy: -129.840175
where:
bonds (distance) C4'-P energy: -19.931
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -27.779
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: -44.929
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: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -529.324953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.324953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.324953 (E_RNA)
where:
Base-Base interactions energy: -383.890
where: short stacking energy: -145.876
Base-Backbone interact. energy: -0.233
local terms energy: -145.202518
where:
bonds (distance) C4'-P energy: -26.902
bonds (distance) P-C4' energy: -19.765
flat angles C4'-P-C4' energy: -31.763
flat angles P-C4'-P energy: -24.599
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: 8, replica: 7
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -533.335992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.335992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.335992 (E_RNA)
where:
Base-Base interactions energy: -389.998
where: short stacking energy: -148.529
Base-Backbone interact. energy: -1.068
local terms energy: -142.269785
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -22.041
flat angles C4'-P-C4' energy: -31.184
flat angles P-C4'-P energy: -23.263
tors. eta vs tors. theta energy: -46.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -499.804691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.804691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.804691 (E_RNA)
where:
Base-Base interactions energy: -369.493
where: short stacking energy: -143.180
Base-Backbone interact. energy: -0.372
local terms energy: -129.939147
where:
bonds (distance) C4'-P energy: -21.958
bonds (distance) P-C4' energy: -17.282
flat angles C4'-P-C4' energy: -29.470
flat angles P-C4'-P energy: -16.928
tors. eta vs tors. theta energy: -44.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -498.254047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.254047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.254047 (E_RNA)
where:
Base-Base interactions energy: -381.899
where: short stacking energy: -147.491
Base-Backbone interact. energy: 1.584
local terms energy: -117.939910
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -24.966
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -44.202
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: 1, replica: 9
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -567.333467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.333467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.333467 (E_RNA)
where:
Base-Base interactions energy: -416.503
where: short stacking energy: -163.345
Base-Backbone interact. energy: -1.487
local terms energy: -149.343189
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -25.153
flat angles C4'-P-C4' energy: -33.294
flat angles P-C4'-P energy: -25.005
tors. eta vs tors. theta energy: -48.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -559.963118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.963118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.963118 (E_RNA)
where:
Base-Base interactions energy: -408.130
where: short stacking energy: -164.104
Base-Backbone interact. energy: -0.517
local terms energy: -151.316162
where:
bonds (distance) C4'-P energy: -26.242
bonds (distance) P-C4' energy: -29.893
flat angles C4'-P-C4' energy: -26.407
flat angles P-C4'-P energy: -24.504
tors. eta vs tors. theta energy: -44.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -553.714399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.714399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.714399 (E_RNA)
where:
Base-Base interactions energy: -401.307
where: short stacking energy: -158.230
Base-Backbone interact. energy: -0.694
local terms energy: -151.713446
where:
bonds (distance) C4'-P energy: -24.750
bonds (distance) P-C4' energy: -23.508
flat angles C4'-P-C4' energy: -32.706
flat angles P-C4'-P energy: -25.341
tors. eta vs tors. theta energy: -45.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -543.872113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.872113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.872113 (E_RNA)
where:
Base-Base interactions energy: -407.754
where: short stacking energy: -157.605
Base-Backbone interact. energy: -0.687
local terms energy: -135.430764
where:
bonds (distance) C4'-P energy: -22.480
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -27.910
flat angles P-C4'-P energy: -18.327
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: 5, replica: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -525.567211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.567211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.567211 (E_RNA)
where:
Base-Base interactions energy: -390.495
where: short stacking energy: -149.376
Base-Backbone interact. energy: -0.239
local terms energy: -134.833186
where:
bonds (distance) C4'-P energy: -19.501
bonds (distance) P-C4' energy: -27.829
flat angles C4'-P-C4' energy: -25.478
flat angles P-C4'-P energy: -19.339
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: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -532.620180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.620180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.620180 (E_RNA)
where:
Base-Base interactions energy: -386.189
where: short stacking energy: -151.707
Base-Backbone interact. energy: -0.322
local terms energy: -146.108945
where:
bonds (distance) C4'-P energy: -24.308
bonds (distance) P-C4' energy: -25.758
flat angles C4'-P-C4' energy: -31.235
flat angles P-C4'-P energy: -18.387
tors. eta vs tors. theta energy: -46.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -522.922647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.922647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.922647 (E_RNA)
where:
Base-Base interactions energy: -385.287
where: short stacking energy: -148.420
Base-Backbone interact. energy: -0.045
local terms energy: -137.590711
where:
bonds (distance) C4'-P energy: -23.152
bonds (distance) P-C4' energy: -24.228
flat angles C4'-P-C4' energy: -31.850
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -43.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -508.515100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.515100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.515100 (E_RNA)
where:
Base-Base interactions energy: -371.147
where: short stacking energy: -146.390
Base-Backbone interact. energy: -0.105
local terms energy: -137.262859
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -25.447
flat angles C4'-P-C4' energy: -29.546
flat angles P-C4'-P energy: -21.256
tors. eta vs tors. theta energy: -42.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -517.026379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.026379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.026379 (E_RNA)
where:
Base-Base interactions energy: -377.565
where: short stacking energy: -141.608
Base-Backbone interact. energy: -1.319
local terms energy: -138.141497
where:
bonds (distance) C4'-P energy: -23.824
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -28.464
flat angles P-C4'-P energy: -21.170
tors. eta vs tors. theta energy: -46.264
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: 2
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -495.038406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.038406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.038406 (E_RNA)
where:
Base-Base interactions energy: -367.089
where: short stacking energy: -139.512
Base-Backbone interact. energy: 1.036
local terms energy: -128.984832
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -27.917
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -43.369
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: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -564.302298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.302298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.302298 (E_RNA)
where:
Base-Base interactions energy: -400.281
where: short stacking energy: -160.680
Base-Backbone interact. energy: -1.562
local terms energy: -162.459292
where:
bonds (distance) C4'-P energy: -25.577
bonds (distance) P-C4' energy: -29.458
flat angles C4'-P-C4' energy: -33.433
flat angles P-C4'-P energy: -24.236
tors. eta vs tors. theta energy: -49.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -552.131563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.131563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.131563 (E_RNA)
where:
Base-Base interactions energy: -400.208
where: short stacking energy: -154.024
Base-Backbone interact. energy: -0.795
local terms energy: -151.128293
where:
bonds (distance) C4'-P energy: -28.323
bonds (distance) P-C4' energy: -28.117
flat angles C4'-P-C4' energy: -25.203
flat angles P-C4'-P energy: -22.132
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: 3, replica: 10
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -544.992091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.992091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.992091 (E_RNA)
where:
Base-Base interactions energy: -391.497
where: short stacking energy: -150.682
Base-Backbone interact. energy: -1.405
local terms energy: -152.089339
where:
bonds (distance) C4'-P energy: -28.814
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -34.159
flat angles P-C4'-P energy: -23.121
tors. eta vs tors. theta energy: -45.717
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: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -533.845059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.845059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.845059 (E_RNA)
where:
Base-Base interactions energy: -386.932
where: short stacking energy: -146.663
Base-Backbone interact. energy: -0.011
local terms energy: -146.901719
where:
bonds (distance) C4'-P energy: -28.323
bonds (distance) P-C4' energy: -29.730
flat angles C4'-P-C4' energy: -27.369
flat angles P-C4'-P energy: -19.949
tors. eta vs tors. theta energy: -41.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -534.207762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.207762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.207762 (E_RNA)
where:
Base-Base interactions energy: -398.956
where: short stacking energy: -155.598
Base-Backbone interact. energy: -0.439
local terms energy: -134.812703
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -26.055
flat angles P-C4'-P energy: -23.329
tors. eta vs tors. theta energy: -44.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -527.530782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.530782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.530782 (E_RNA)
where:
Base-Base interactions energy: -378.158
where: short stacking energy: -149.692
Base-Backbone interact. energy: -0.713
local terms energy: -148.659224
where:
bonds (distance) C4'-P energy: -24.523
bonds (distance) P-C4' energy: -26.763
flat angles C4'-P-C4' energy: -28.945
flat angles P-C4'-P energy: -21.778
tors. eta vs tors. theta energy: -46.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -523.828259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.828259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.828259 (E_RNA)
where:
Base-Base interactions energy: -382.152
where: short stacking energy: -148.000
Base-Backbone interact. energy: -1.130
local terms energy: -140.545685
where:
bonds (distance) C4'-P energy: -24.084
bonds (distance) P-C4' energy: -25.081
flat angles C4'-P-C4' energy: -22.350
flat angles P-C4'-P energy: -23.754
tors. eta vs tors. theta energy: -45.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -506.876863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.876863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.876863 (E_RNA)
where:
Base-Base interactions energy: -374.294
where: short stacking energy: -140.893
Base-Backbone interact. energy: -0.277
local terms energy: -132.306195
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -26.558
flat angles C4'-P-C4' energy: -23.773
flat angles P-C4'-P energy: -19.500
tors. eta vs tors. theta energy: -43.002
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: 2
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -506.750507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.750507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.750507 (E_RNA)
where:
Base-Base interactions energy: -378.641
where: short stacking energy: -155.394
Base-Backbone interact. energy: -0.648
local terms energy: -127.460912
where:
bonds (distance) C4'-P energy: -23.516
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -26.100
flat angles P-C4'-P energy: -20.208
tors. eta vs tors. theta energy: -45.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -501.072419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.072419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.072419 (E_RNA)
where:
Base-Base interactions energy: -364.276
where: short stacking energy: -143.380
Base-Backbone interact. energy: -0.028
local terms energy: -136.768058
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -26.020
flat angles C4'-P-C4' energy: -28.954
flat angles P-C4'-P energy: -22.078
tors. eta vs tors. theta energy: -41.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -564.639212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.639212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.639212 (E_RNA)
where:
Base-Base interactions energy: -413.311
where: short stacking energy: -158.818
Base-Backbone interact. energy: 0.251
local terms energy: -151.579649
where:
bonds (distance) C4'-P energy: -25.086
bonds (distance) P-C4' energy: -28.775
flat angles C4'-P-C4' energy: -27.358
flat angles P-C4'-P energy: -24.797
tors. eta vs tors. theta energy: -45.564
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: 9
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -555.224054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.224054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.224054 (E_RNA)
where:
Base-Base interactions energy: -401.329
where: short stacking energy: -158.841
Base-Backbone interact. energy: -0.004
local terms energy: -153.890436
where:
bonds (distance) C4'-P energy: -24.416
bonds (distance) P-C4' energy: -27.522
flat angles C4'-P-C4' energy: -31.094
flat angles P-C4'-P energy: -22.773
tors. eta vs tors. theta energy: -48.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -544.315324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.315324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.315324 (E_RNA)
where:
Base-Base interactions energy: -396.792
where: short stacking energy: -154.254
Base-Backbone interact. energy: -0.272
local terms energy: -147.251090
where:
bonds (distance) C4'-P energy: -26.342
bonds (distance) P-C4' energy: -25.216
flat angles C4'-P-C4' energy: -31.477
flat angles P-C4'-P energy: -19.290
tors. eta vs tors. theta energy: -44.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -540.569327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.569327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.569327 (E_RNA)
where:
Base-Base interactions energy: -389.745
where: short stacking energy: -154.757
Base-Backbone interact. energy: -0.577
local terms energy: -150.247132
where:
bonds (distance) C4'-P energy: -21.999
bonds (distance) P-C4' energy: -29.872
flat angles C4'-P-C4' energy: -28.272
flat angles P-C4'-P energy: -23.664
tors. eta vs tors. theta energy: -46.440
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: 5, replica: 8
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -529.739849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.739849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.739849 (E_RNA)
where:
Base-Base interactions energy: -385.484
where: short stacking energy: -154.497
Base-Backbone interact. energy: -0.212
local terms energy: -144.043972
where:
bonds (distance) C4'-P energy: -28.877
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -31.075
flat angles P-C4'-P energy: -21.231
tors. eta vs tors. theta energy: -43.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -532.304320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.304320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.304320 (E_RNA)
where:
Base-Base interactions energy: -380.998
where: short stacking energy: -149.919
Base-Backbone interact. energy: -0.864
local terms energy: -150.441367
where:
bonds (distance) C4'-P energy: -24.303
bonds (distance) P-C4' energy: -29.191
flat angles C4'-P-C4' energy: -28.361
flat angles P-C4'-P energy: -20.640
tors. eta vs tors. theta energy: -47.946
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: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -516.686150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.686150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.686150 (E_RNA)
where:
Base-Base interactions energy: -383.263
where: short stacking energy: -148.927
Base-Backbone interact. energy: -0.034
local terms energy: -133.389065
where:
bonds (distance) C4'-P energy: -25.016
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -29.021
flat angles P-C4'-P energy: -24.109
tors. eta vs tors. theta energy: -40.250
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: 2
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -523.142367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.142367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.142367 (E_RNA)
where:
Base-Base interactions energy: -374.561
where: short stacking energy: -147.175
Base-Backbone interact. energy: -1.337
local terms energy: -147.244762
where:
bonds (distance) C4'-P energy: -27.518
bonds (distance) P-C4' energy: -29.657
flat angles C4'-P-C4' energy: -28.164
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -43.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -508.386567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.386567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.386567 (E_RNA)
where:
Base-Base interactions energy: -369.957
where: short stacking energy: -143.093
Base-Backbone interact. energy: -0.631
local terms energy: -137.798410
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -29.062
flat angles C4'-P-C4' energy: -28.638
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -47.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -505.181679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.181679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.181679 (E_RNA)
where:
Base-Base interactions energy: -377.746
where: short stacking energy: -139.073
Base-Backbone interact. energy: -0.427
local terms energy: -127.007916
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -27.124
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -44.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -561.451725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.451725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.451725 (E_RNA)
where:
Base-Base interactions energy: -406.586
where: short stacking energy: -156.076
Base-Backbone interact. energy: -1.321
local terms energy: -153.544576
where:
bonds (distance) C4'-P energy: -27.127
bonds (distance) P-C4' energy: -23.170
flat angles C4'-P-C4' energy: -32.633
flat angles P-C4'-P energy: -25.493
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: 2, replica: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -555.249090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.249090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.249090 (E_RNA)
where:
Base-Base interactions energy: -393.715
where: short stacking energy: -152.864
Base-Backbone interact. energy: -1.324
local terms energy: -160.210236
where:
bonds (distance) C4'-P energy: -27.000
bonds (distance) P-C4' energy: -26.786
flat angles C4'-P-C4' energy: -35.452
flat angles P-C4'-P energy: -24.391
tors. eta vs tors. theta energy: -46.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -553.133930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.133930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.133930 (E_RNA)
where:
Base-Base interactions energy: -399.906
where: short stacking energy: -159.567
Base-Backbone interact. energy: -0.004
local terms energy: -153.223647
where:
bonds (distance) C4'-P energy: -28.202
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -31.093
flat angles P-C4'-P energy: -23.194
tors. eta vs tors. theta energy: -47.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -541.018636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.018636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.018636 (E_RNA)
where:
Base-Base interactions energy: -395.887
where: short stacking energy: -154.585
Base-Backbone interact. energy: -0.054
local terms energy: -145.077673
where:
bonds (distance) C4'-P energy: -29.089
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -31.014
flat angles P-C4'-P energy: -20.415
tors. eta vs tors. theta energy: -48.371
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: 5, replica: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -540.129310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.129310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.129310 (E_RNA)
where:
Base-Base interactions energy: -389.335
where: short stacking energy: -150.834
Base-Backbone interact. energy: -0.600
local terms energy: -150.194594
where:
bonds (distance) C4'-P energy: -29.260
bonds (distance) P-C4' energy: -23.624
flat angles C4'-P-C4' energy: -30.073
flat angles P-C4'-P energy: -22.460
tors. eta vs tors. theta energy: -44.778
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: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -534.210645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.210645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.210645 (E_RNA)
where:
Base-Base interactions energy: -377.112
where: short stacking energy: -140.887
Base-Backbone interact. energy: -1.299
local terms energy: -155.799656
where:
bonds (distance) C4'-P energy: -29.971
bonds (distance) P-C4' energy: -25.918
flat angles C4'-P-C4' energy: -33.581
flat angles P-C4'-P energy: -23.946
tors. eta vs tors. theta energy: -42.384
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: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -519.945967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.945967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.945967 (E_RNA)
where:
Base-Base interactions energy: -383.415
where: short stacking energy: -149.496
Base-Backbone interact. energy: -0.783
local terms energy: -135.747964
where:
bonds (distance) C4'-P energy: -18.904
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -27.843
flat angles P-C4'-P energy: -23.629
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: 8, replica: 6
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -517.749678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.749678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.749678 (E_RNA)
where:
Base-Base interactions energy: -389.377
where: short stacking energy: -150.285
Base-Backbone interact. energy: -1.087
local terms energy: -127.285918
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -27.072
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -43.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -527.198000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.198000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.198000 (E_RNA)
where:
Base-Base interactions energy: -381.554
where: short stacking energy: -141.787
Base-Backbone interact. energy: -0.880
local terms energy: -144.764205
where:
bonds (distance) C4'-P energy: -23.384
bonds (distance) P-C4' energy: -26.179
flat angles C4'-P-C4' energy: -29.105
flat angles P-C4'-P energy: -22.439
tors. eta vs tors. theta energy: -43.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -482.158124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.158124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.158124 (E_RNA)
where:
Base-Base interactions energy: -359.052
where: short stacking energy: -131.440
Base-Backbone interact. energy: -0.219
local terms energy: -122.886872
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -25.108
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -39.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -560.200308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.200308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.200308 (E_RNA)
where:
Base-Base interactions energy: -405.538
where: short stacking energy: -159.477
Base-Backbone interact. energy: -0.157
local terms energy: -154.504974
where:
bonds (distance) C4'-P energy: -27.526
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -31.692
flat angles P-C4'-P energy: -25.704
tors. eta vs tors. theta energy: -48.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -553.083299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.083299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.083299 (E_RNA)
where:
Base-Base interactions energy: -403.605
where: short stacking energy: -155.320
Base-Backbone interact. energy: -0.298
local terms energy: -149.180500
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -25.986
flat angles C4'-P-C4' energy: -28.508
flat angles P-C4'-P energy: -23.046
tors. eta vs tors. theta energy: -46.054
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: 10
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -547.957603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.957603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.957603 (E_RNA)
where:
Base-Base interactions energy: -393.990
where: short stacking energy: -150.286
Base-Backbone interact. energy: -1.556
local terms energy: -152.411209
where:
bonds (distance) C4'-P energy: -26.911
bonds (distance) P-C4' energy: -21.508
flat angles C4'-P-C4' energy: -33.444
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: -49.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -536.517007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.517007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.517007 (E_RNA)
where:
Base-Base interactions energy: -386.438
where: short stacking energy: -145.467
Base-Backbone interact. energy: -0.425
local terms energy: -149.653542
where:
bonds (distance) C4'-P energy: -25.524
bonds (distance) P-C4' energy: -25.793
flat angles C4'-P-C4' energy: -28.336
flat angles P-C4'-P energy: -22.952
tors. eta vs tors. theta energy: -47.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -523.136748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.136748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.136748 (E_RNA)
where:
Base-Base interactions energy: -386.907
where: short stacking energy: -153.981
Base-Backbone interact. energy: -0.003
local terms energy: -136.226369
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -24.908
flat angles C4'-P-C4' energy: -27.835
flat angles P-C4'-P energy: -18.719
tors. eta vs tors. theta energy: -44.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -543.971807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.971807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.971807 (E_RNA)
where:
Base-Base interactions energy: -387.288
where: short stacking energy: -152.855
Base-Backbone interact. energy: -1.380
local terms energy: -155.303748
where:
bonds (distance) C4'-P energy: -25.110
bonds (distance) P-C4' energy: -30.937
flat angles C4'-P-C4' energy: -31.399
flat angles P-C4'-P energy: -22.404
tors. eta vs tors. theta energy: -45.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -527.369887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.369887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.369887 (E_RNA)
where:
Base-Base interactions energy: -390.183
where: short stacking energy: -161.427
Base-Backbone interact. energy: -0.728
local terms energy: -136.458941
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -28.005
flat angles C4'-P-C4' energy: -26.750
flat angles P-C4'-P energy: -20.304
tors. eta vs tors. theta energy: -43.267
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: 8, replica: 7
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -514.424868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.424868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.424868 (E_RNA)
where:
Base-Base interactions energy: -368.042
where: short stacking energy: -143.932
Base-Backbone interact. energy: -0.054
local terms energy: -146.328416
where:
bonds (distance) C4'-P energy: -23.994
bonds (distance) P-C4' energy: -27.689
flat angles C4'-P-C4' energy: -31.443
flat angles P-C4'-P energy: -18.217
tors. eta vs tors. theta energy: -44.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -502.127543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.127543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.127543 (E_RNA)
where:
Base-Base interactions energy: -368.614
where: short stacking energy: -135.970
Base-Backbone interact. energy: -0.597
local terms energy: -132.916374
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -28.687
flat angles P-C4'-P energy: -20.449
tors. eta vs tors. theta energy: -42.957
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: 5
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -488.460211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.460211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.460211 (E_RNA)
where:
Base-Base interactions energy: -368.735
where: short stacking energy: -146.215
Base-Backbone interact. energy: -0.283
local terms energy: -119.442813
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -20.958
tors. eta vs tors. theta energy: -43.633
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: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -565.206750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.206750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.206750 (E_RNA)
where:
Base-Base interactions energy: -408.875
where: short stacking energy: -158.631
Base-Backbone interact. energy: -0.353
local terms energy: -155.978489
where:
bonds (distance) C4'-P energy: -28.277
bonds (distance) P-C4' energy: -27.831
flat angles C4'-P-C4' energy: -29.643
flat angles P-C4'-P energy: -24.085
tors. eta vs tors. theta energy: -46.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -555.805569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.805569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.805569 (E_RNA)
where:
Base-Base interactions energy: -406.648
where: short stacking energy: -162.657
Base-Backbone interact. energy: -1.489
local terms energy: -147.669142
where:
bonds (distance) C4'-P energy: -20.475
bonds (distance) P-C4' energy: -24.644
flat angles C4'-P-C4' energy: -30.943
flat angles P-C4'-P energy: -24.431
tors. eta vs tors. theta energy: -47.176
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: 434
Temperature: 1.000000
Total energy: -542.966819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.966819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.966819 (E_RNA)
where:
Base-Base interactions energy: -400.349
where: short stacking energy: -158.137
Base-Backbone interact. energy: -0.587
local terms energy: -142.030268
where:
bonds (distance) C4'-P energy: -26.270
bonds (distance) P-C4' energy: -24.031
flat angles C4'-P-C4' energy: -24.892
flat angles P-C4'-P energy: -21.400
tors. eta vs tors. theta energy: -45.438
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: 10
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -552.779213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.779213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.779213 (E_RNA)
where:
Base-Base interactions energy: -393.473
where: short stacking energy: -149.442
Base-Backbone interact. energy: -0.556
local terms energy: -158.749882
where:
bonds (distance) C4'-P energy: -28.403
bonds (distance) P-C4' energy: -29.379
flat angles C4'-P-C4' energy: -28.520
flat angles P-C4'-P energy: -24.509
tors. eta vs tors. theta energy: -47.939
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: 3
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -527.913066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.913066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.913066 (E_RNA)
where:
Base-Base interactions energy: -380.385
where: short stacking energy: -149.761
Base-Backbone interact. energy: -0.135
local terms energy: -147.392402
where:
bonds (distance) C4'-P energy: -27.121
bonds (distance) P-C4' energy: -27.059
flat angles C4'-P-C4' energy: -26.911
flat angles P-C4'-P energy: -23.615
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: 6, replica: 2
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -535.490738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.490738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.490738 (E_RNA)
where:
Base-Base interactions energy: -385.692
where: short stacking energy: -148.955
Base-Backbone interact. energy: -1.111
local terms energy: -148.688180
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -27.860
flat angles C4'-P-C4' energy: -31.236
flat angles P-C4'-P energy: -23.216
tors. eta vs tors. theta energy: -44.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -519.451361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.451361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.451361 (E_RNA)
where:
Base-Base interactions energy: -378.486
where: short stacking energy: -149.374
Base-Backbone interact. energy: -0.214
local terms energy: -140.750654
where:
bonds (distance) C4'-P energy: -27.901
bonds (distance) P-C4' energy: -16.606
flat angles C4'-P-C4' energy: -29.664
flat angles P-C4'-P energy: -21.424
tors. eta vs tors. theta energy: -45.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -506.566245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.566245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.566245 (E_RNA)
where:
Base-Base interactions energy: -368.591
where: short stacking energy: -143.308
Base-Backbone interact. energy: -1.119
local terms energy: -136.855878
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -25.715
flat angles C4'-P-C4' energy: -29.124
flat angles P-C4'-P energy: -19.945
tors. eta vs tors. theta energy: -42.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -512.980361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.980361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.980361 (E_RNA)
where:
Base-Base interactions energy: -376.606
where: short stacking energy: -143.025
Base-Backbone interact. energy: -1.272
local terms energy: -135.101950
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -24.983
flat angles C4'-P-C4' energy: -27.365
flat angles P-C4'-P energy: -23.682
tors. eta vs tors. theta energy: -43.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -498.414414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.414414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.414414 (E_RNA)
where:
Base-Base interactions energy: -369.468
where: short stacking energy: -142.959
Base-Backbone interact. energy: -0.001
local terms energy: -128.944920
where:
bonds (distance) C4'-P energy: -22.668
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -28.542
flat angles P-C4'-P energy: -13.656
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: 1, replica: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -559.933222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.933222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.933222 (E_RNA)
where:
Base-Base interactions energy: -404.265
where: short stacking energy: -157.250
Base-Backbone interact. energy: -0.367
local terms energy: -155.301822
where:
bonds (distance) C4'-P energy: -27.488
bonds (distance) P-C4' energy: -25.426
flat angles C4'-P-C4' energy: -29.108
flat angles P-C4'-P energy: -25.713
tors. eta vs tors. theta energy: -47.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -554.453087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.453087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.453087 (E_RNA)
where:
Base-Base interactions energy: -398.495
where: short stacking energy: -155.282
Base-Backbone interact. energy: -0.041
local terms energy: -155.917327
where:
bonds (distance) C4'-P energy: -31.172
bonds (distance) P-C4' energy: -27.434
flat angles C4'-P-C4' energy: -27.629
flat angles P-C4'-P energy: -23.566
tors. eta vs tors. theta energy: -46.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -548.211625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.211625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.211625 (E_RNA)
where:
Base-Base interactions energy: -387.789
where: short stacking energy: -151.328
Base-Backbone interact. energy: -0.001
local terms energy: -160.421107
where:
bonds (distance) C4'-P energy: -31.557
bonds (distance) P-C4' energy: -28.981
flat angles C4'-P-C4' energy: -29.118
flat angles P-C4'-P energy: -23.126
tors. eta vs tors. theta energy: -47.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -534.251357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.251357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.251357 (E_RNA)
where:
Base-Base interactions energy: -393.151
where: short stacking energy: -149.340
Base-Backbone interact. energy: -0.007
local terms energy: -141.093276
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -29.041
flat angles C4'-P-C4' energy: -27.896
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -46.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -540.972251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.972251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.972251 (E_RNA)
where:
Base-Base interactions energy: -391.451
where: short stacking energy: -153.229
Base-Backbone interact. energy: -0.330
local terms energy: -149.191914
where:
bonds (distance) C4'-P energy: -25.211
bonds (distance) P-C4' energy: -27.739
flat angles C4'-P-C4' energy: -28.961
flat angles P-C4'-P energy: -19.348
tors. eta vs tors. theta energy: -47.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -522.436994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.436994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.436994 (E_RNA)
where:
Base-Base interactions energy: -376.260
where: short stacking energy: -153.805
Base-Backbone interact. energy: -0.006
local terms energy: -146.170731
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -27.342
flat angles C4'-P-C4' energy: -28.589
flat angles P-C4'-P energy: -17.551
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: 7, replica: 2
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -525.911966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.911966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.911966 (E_RNA)
where:
Base-Base interactions energy: -379.517
where: short stacking energy: -148.340
Base-Backbone interact. energy: -0.001
local terms energy: -146.393277
where:
bonds (distance) C4'-P energy: -24.589
bonds (distance) P-C4' energy: -26.546
flat angles C4'-P-C4' energy: -30.752
flat angles P-C4'-P energy: -19.962
tors. eta vs tors. theta energy: -44.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -506.554080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.554080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.554080 (E_RNA)
where:
Base-Base interactions energy: -366.104
where: short stacking energy: -137.152
Base-Backbone interact. energy: -0.290
local terms energy: -140.160110
where:
bonds (distance) C4'-P energy: -23.903
bonds (distance) P-C4' energy: -23.534
flat angles C4'-P-C4' energy: -29.938
flat angles P-C4'-P energy: -21.400
tors. eta vs tors. theta energy: -41.386
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: 7
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -512.247387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.247387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.247387 (E_RNA)
where:
Base-Base interactions energy: -377.689
where: short stacking energy: -146.219
Base-Backbone interact. energy: -0.632
local terms energy: -133.926326
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -22.397
flat angles C4'-P-C4' energy: -30.133
flat angles P-C4'-P energy: -21.930
tors. eta vs tors. theta energy: -42.150
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: 5
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -483.341638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.341638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.341638 (E_RNA)
where:
Base-Base interactions energy: -370.811
where: short stacking energy: -135.940
Base-Backbone interact. energy: -0.030
local terms energy: -112.500693
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -25.809
flat angles P-C4'-P energy: -20.275
tors. eta vs tors. theta energy: -38.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -564.168017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.168017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.168017 (E_RNA)
where:
Base-Base interactions energy: -401.619
where: short stacking energy: -153.448
Base-Backbone interact. energy: -1.009
local terms energy: -161.540379
where:
bonds (distance) C4'-P energy: -28.610
bonds (distance) P-C4' energy: -30.832
flat angles C4'-P-C4' energy: -31.370
flat angles P-C4'-P energy: -24.875
tors. eta vs tors. theta energy: -45.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -553.231101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.231101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.231101 (E_RNA)
where:
Base-Base interactions energy: -402.429
where: short stacking energy: -154.694
Base-Backbone interact. energy: -0.693
local terms energy: -150.109274
where:
bonds (distance) C4'-P energy: -25.745
bonds (distance) P-C4' energy: -24.097
flat angles C4'-P-C4' energy: -30.046
flat angles P-C4'-P energy: -23.801
tors. eta vs tors. theta energy: -46.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -548.469423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.469423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.469423 (E_RNA)
where:
Base-Base interactions energy: -404.360
where: short stacking energy: -160.277
Base-Backbone interact. energy: -0.375
local terms energy: -143.734527
where:
bonds (distance) C4'-P energy: -24.585
bonds (distance) P-C4' energy: -25.013
flat angles C4'-P-C4' energy: -27.962
flat angles P-C4'-P energy: -21.142
tors. eta vs tors. theta energy: -45.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -542.683523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.683523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.683523 (E_RNA)
where:
Base-Base interactions energy: -390.439
where: short stacking energy: -152.300
Base-Backbone interact. energy: -1.595
local terms energy: -150.649882
where:
bonds (distance) C4'-P energy: -25.475
bonds (distance) P-C4' energy: -26.578
flat angles C4'-P-C4' energy: -30.256
flat angles P-C4'-P energy: -23.705
tors. eta vs tors. theta energy: -44.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -531.158152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.158152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.158152 (E_RNA)
where:
Base-Base interactions energy: -375.945
where: short stacking energy: -148.732
Base-Backbone interact. energy: -2.417
local terms energy: -152.796065
where:
bonds (distance) C4'-P energy: -28.681
bonds (distance) P-C4' energy: -27.294
flat angles C4'-P-C4' energy: -28.812
flat angles P-C4'-P energy: -23.486
tors. eta vs tors. theta energy: -44.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -537.360301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.360301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.360301 (E_RNA)
where:
Base-Base interactions energy: -385.677
where: short stacking energy: -152.443
Base-Backbone interact. energy: -0.282
local terms energy: -151.401364
where:
bonds (distance) C4'-P energy: -26.907
bonds (distance) P-C4' energy: -20.642
flat angles C4'-P-C4' energy: -32.949
flat angles P-C4'-P energy: -21.519
tors. eta vs tors. theta energy: -49.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -509.224689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.224689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.224689 (E_RNA)
where:
Base-Base interactions energy: -368.394
where: short stacking energy: -142.720
Base-Backbone interact. energy: -0.384
local terms energy: -140.446630
where:
bonds (distance) C4'-P energy: -24.309
bonds (distance) P-C4' energy: -24.933
flat angles C4'-P-C4' energy: -26.482
flat angles P-C4'-P energy: -19.453
tors. eta vs tors. theta energy: -45.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -515.822609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.822609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.822609 (E_RNA)
where:
Base-Base interactions energy: -387.158
where: short stacking energy: -149.106
Base-Backbone interact. energy: -0.735
local terms energy: -127.929935
where:
bonds (distance) C4'-P energy: -21.373
bonds (distance) P-C4' energy: -23.601
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -17.995
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: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -492.174101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.174101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.174101 (E_RNA)
where:
Base-Base interactions energy: -360.611
where: short stacking energy: -145.082
Base-Backbone interact. energy: -0.948
local terms energy: -130.614643
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -26.238
flat angles C4'-P-C4' energy: -24.910
flat angles P-C4'-P energy: -20.922
tors. eta vs tors. theta energy: -43.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -496.542446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.542446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.542446 (E_RNA)
where:
Base-Base interactions energy: -367.282
where: short stacking energy: -136.236
Base-Backbone interact. energy: -0.057
local terms energy: -129.202909
where:
bonds (distance) C4'-P energy: -21.343
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -27.146
flat angles P-C4'-P energy: -20.212
tors. eta vs tors. theta energy: -43.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -565.711595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.711595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.711595 (E_RNA)
where:
Base-Base interactions energy: -404.448
where: short stacking energy: -158.304
Base-Backbone interact. energy: -1.242
local terms energy: -160.021416
where:
bonds (distance) C4'-P energy: -25.860
bonds (distance) P-C4' energy: -30.657
flat angles C4'-P-C4' energy: -31.298
flat angles P-C4'-P energy: -26.147
tors. eta vs tors. theta energy: -46.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -549.577271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.577271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.577271 (E_RNA)
where:
Base-Base interactions energy: -400.425
where: short stacking energy: -154.510
Base-Backbone interact. energy: -0.496
local terms energy: -148.656604
where:
bonds (distance) C4'-P energy: -28.439
bonds (distance) P-C4' energy: -27.232
flat angles C4'-P-C4' energy: -29.641
flat angles P-C4'-P energy: -19.055
tors. eta vs tors. theta energy: -44.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -551.876935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.876935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.876935 (E_RNA)
where:
Base-Base interactions energy: -410.445
where: short stacking energy: -159.254
Base-Backbone interact. energy: -0.796
local terms energy: -140.635380
where:
bonds (distance) C4'-P energy: -19.939
bonds (distance) P-C4' energy: -20.384
flat angles C4'-P-C4' energy: -29.885
flat angles P-C4'-P energy: -24.976
tors. eta vs tors. theta energy: -45.451
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: 3
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -543.716169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.716169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.716169 (E_RNA)
where:
Base-Base interactions energy: -394.242
where: short stacking energy: -155.056
Base-Backbone interact. energy: -0.847
local terms energy: -148.626270
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -25.649
flat angles C4'-P-C4' energy: -32.480
flat angles P-C4'-P energy: -24.062
tors. eta vs tors. theta energy: -46.190
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: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -533.227396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.227396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.227396 (E_RNA)
where:
Base-Base interactions energy: -393.887
where: short stacking energy: -152.216
Base-Backbone interact. energy: -0.312
local terms energy: -139.027494
where:
bonds (distance) C4'-P energy: -23.360
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -30.030
flat angles P-C4'-P energy: -20.459
tors. eta vs tors. theta energy: -44.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -525.784797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.784797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.784797 (E_RNA)
where:
Base-Base interactions energy: -381.419
where: short stacking energy: -150.907
Base-Backbone interact. energy: -1.345
local terms energy: -143.020769
where:
bonds (distance) C4'-P energy: -23.732
bonds (distance) P-C4' energy: -27.084
flat angles C4'-P-C4' energy: -29.293
flat angles P-C4'-P energy: -20.360
tors. eta vs tors. theta energy: -42.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -517.502215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.502215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.502215 (E_RNA)
where:
Base-Base interactions energy: -382.611
where: short stacking energy: -149.086
Base-Backbone interact. energy: -0.008
local terms energy: -134.884008
where:
bonds (distance) C4'-P energy: -26.344
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -27.861
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -41.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -520.663310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.663310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.663310 (E_RNA)
where:
Base-Base interactions energy: -391.011
where: short stacking energy: -149.981
Base-Backbone interact. energy: -0.005
local terms energy: -129.647501
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -31.795
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -47.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -507.371194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.371194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.371194 (E_RNA)
where:
Base-Base interactions energy: -373.309
where: short stacking energy: -146.631
Base-Backbone interact. energy: 1.097
local terms energy: -135.159396
where:
bonds (distance) C4'-P energy: -25.716
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: -44.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -498.435785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.435785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.435785 (E_RNA)
where:
Base-Base interactions energy: -360.125
where: short stacking energy: -141.684
Base-Backbone interact. energy: -2.575
local terms energy: -135.735183
where:
bonds (distance) C4'-P energy: -23.388
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -29.978
flat angles P-C4'-P energy: -20.955
tors. eta vs tors. theta energy: -42.116
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: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -566.140700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.140700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.140700 (E_RNA)
where:
Base-Base interactions energy: -409.816
where: short stacking energy: -159.495
Base-Backbone interact. energy: -1.644
local terms energy: -154.680963
where:
bonds (distance) C4'-P energy: -27.948
bonds (distance) P-C4' energy: -29.884
flat angles C4'-P-C4' energy: -28.543
flat angles P-C4'-P energy: -21.135
tors. eta vs tors. theta energy: -47.170
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: 10
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -556.696482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.696482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.696482 (E_RNA)
where:
Base-Base interactions energy: -394.586
where: short stacking energy: -148.994
Base-Backbone interact. energy: -1.213
local terms energy: -160.897912
where:
bonds (distance) C4'-P energy: -30.754
bonds (distance) P-C4' energy: -28.889
flat angles C4'-P-C4' energy: -30.779
flat angles P-C4'-P energy: -24.006
tors. eta vs tors. theta energy: -46.469
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: 3, replica: 3
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -547.411430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.411430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.411430 (E_RNA)
where:
Base-Base interactions energy: -401.472
where: short stacking energy: -159.427
Base-Backbone interact. energy: -0.317
local terms energy: -145.622703
where:
bonds (distance) C4'-P energy: -23.732
bonds (distance) P-C4' energy: -23.999
flat angles C4'-P-C4' energy: -30.111
flat angles P-C4'-P energy: -20.705
tors. eta vs tors. theta energy: -47.076
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: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -537.934766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.934766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.934766 (E_RNA)
where:
Base-Base interactions energy: -394.449
where: short stacking energy: -154.468
Base-Backbone interact. energy: -0.017
local terms energy: -143.468835
where:
bonds (distance) C4'-P energy: -24.092
bonds (distance) P-C4' energy: -29.826
flat angles C4'-P-C4' energy: -26.242
flat angles P-C4'-P energy: -20.473
tors. eta vs tors. theta energy: -42.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -526.533233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.533233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.533233 (E_RNA)
where:
Base-Base interactions energy: -391.573
where: short stacking energy: -148.316
Base-Backbone interact. energy: -0.071
local terms energy: -134.888511
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -31.925
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -41.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -525.794932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.794932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.794932 (E_RNA)
where:
Base-Base interactions energy: -383.575
where: short stacking energy: -148.450
Base-Backbone interact. energy: -0.174
local terms energy: -142.046457
where:
bonds (distance) C4'-P energy: -24.554
bonds (distance) P-C4' energy: -27.092
flat angles C4'-P-C4' energy: -30.533
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -43.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -517.186018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.186018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.186018 (E_RNA)
where:
Base-Base interactions energy: -376.794
where: short stacking energy: -143.748
Base-Backbone interact. energy: -0.614
local terms energy: -139.777964
where:
bonds (distance) C4'-P energy: -22.430
bonds (distance) P-C4' energy: -25.144
flat angles C4'-P-C4' energy: -28.934
flat angles P-C4'-P energy: -20.148
tors. eta vs tors. theta energy: -43.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -526.914830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.914830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.914830 (E_RNA)
where:
Base-Base interactions energy: -386.319
where: short stacking energy: -144.905
Base-Backbone interact. energy: -0.569
local terms energy: -140.026174
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -25.595
flat angles C4'-P-C4' energy: -26.976
flat angles P-C4'-P energy: -23.088
tors. eta vs tors. theta energy: -42.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -514.637529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.637529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.637529 (E_RNA)
where:
Base-Base interactions energy: -377.152
where: short stacking energy: -142.521
Base-Backbone interact. energy: -0.026
local terms energy: -137.460135
where:
bonds (distance) C4'-P energy: -26.573
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -30.544
flat angles P-C4'-P energy: -22.291
tors. eta vs tors. theta energy: -43.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -509.089867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.089867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.089867 (E_RNA)
where:
Base-Base interactions energy: -370.058
where: short stacking energy: -137.908
Base-Backbone interact. energy: -0.391
local terms energy: -138.640632
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -28.152
flat angles P-C4'-P energy: -23.377
tors. eta vs tors. theta energy: -40.678
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: 1, replica: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -555.338164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.338164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.338164 (E_RNA)
where:
Base-Base interactions energy: -400.495
where: short stacking energy: -153.830
Base-Backbone interact. energy: -0.005
local terms energy: -154.838167
where:
bonds (distance) C4'-P energy: -26.361
bonds (distance) P-C4' energy: -26.426
flat angles C4'-P-C4' energy: -30.728
flat angles P-C4'-P energy: -23.359
tors. eta vs tors. theta energy: -47.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -556.870063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.870063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.870063 (E_RNA)
where:
Base-Base interactions energy: -404.322
where: short stacking energy: -150.967
Base-Backbone interact. energy: -1.998
local terms energy: -150.550712
where:
bonds (distance) C4'-P energy: -26.782
bonds (distance) P-C4' energy: -30.174
flat angles C4'-P-C4' energy: -25.852
flat angles P-C4'-P energy: -22.737
tors. eta vs tors. theta energy: -45.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -559.062441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.062441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.062441 (E_RNA)
where:
Base-Base interactions energy: -409.610
where: short stacking energy: -162.095
Base-Backbone interact. energy: -0.725
local terms energy: -148.727466
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -27.504
flat angles C4'-P-C4' energy: -31.325
flat angles P-C4'-P energy: -23.178
tors. eta vs tors. theta energy: -46.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -534.829493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.829493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.829493 (E_RNA)
where:
Base-Base interactions energy: -388.007
where: short stacking energy: -151.207
Base-Backbone interact. energy: -0.396
local terms energy: -146.426986
where:
bonds (distance) C4'-P energy: -21.891
bonds (distance) P-C4' energy: -24.272
flat angles C4'-P-C4' energy: -30.552
flat angles P-C4'-P energy: -23.058
tors. eta vs tors. theta energy: -46.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -527.761653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.761653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.761653 (E_RNA)
where:
Base-Base interactions energy: -387.357
where: short stacking energy: -150.468
Base-Backbone interact. energy: 1.460
local terms energy: -141.865526
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -24.574
flat angles C4'-P-C4' energy: -32.433
flat angles P-C4'-P energy: -24.432
tors. eta vs tors. theta energy: -45.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -528.914976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.914976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.914976 (E_RNA)
where:
Base-Base interactions energy: -381.004
where: short stacking energy: -148.031
Base-Backbone interact. energy: -1.218
local terms energy: -146.692267
where:
bonds (distance) C4'-P energy: -25.138
bonds (distance) P-C4' energy: -30.160
flat angles C4'-P-C4' energy: -25.050
flat angles P-C4'-P energy: -21.318
tors. eta vs tors. theta energy: -45.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -506.575098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.575098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.575098 (E_RNA)
where:
Base-Base interactions energy: -373.153
where: short stacking energy: -140.596
Base-Backbone interact. energy: -0.047
local terms energy: -133.375138
where:
bonds (distance) C4'-P energy: -24.975
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -28.085
flat angles P-C4'-P energy: -16.200
tors. eta vs tors. theta energy: -42.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -507.862705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.862705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.862705 (E_RNA)
where:
Base-Base interactions energy: -377.692
where: short stacking energy: -150.371
Base-Backbone interact. energy: 0.424
local terms energy: -130.594121
where:
bonds (distance) C4'-P energy: -23.084
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -31.635
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -43.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -512.553645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.553645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.553645 (E_RNA)
where:
Base-Base interactions energy: -363.346
where: short stacking energy: -137.952
Base-Backbone interact. energy: -0.452
local terms energy: -148.755866
where:
bonds (distance) C4'-P energy: -29.917
bonds (distance) P-C4' energy: -27.321
flat angles C4'-P-C4' energy: -30.147
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -45.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -493.363696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.363696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.363696 (E_RNA)
where:
Base-Base interactions energy: -374.017
where: short stacking energy: -132.809
Base-Backbone interact. energy: -0.545
local terms energy: -118.802211
where:
bonds (distance) C4'-P energy: -19.878
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -26.305
flat angles P-C4'-P energy: -19.717
tors. eta vs tors. theta energy: -34.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -560.286990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.286990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.286990 (E_RNA)
where:
Base-Base interactions energy: -402.132
where: short stacking energy: -160.233
Base-Backbone interact. energy: -0.266
local terms energy: -157.889272
where:
bonds (distance) C4'-P energy: -25.950
bonds (distance) P-C4' energy: -28.212
flat angles C4'-P-C4' energy: -30.271
flat angles P-C4'-P energy: -26.115
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: 2, replica: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -557.153391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.153391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.153391 (E_RNA)
where:
Base-Base interactions energy: -400.376
where: short stacking energy: -149.548
Base-Backbone interact. energy: -1.240
local terms energy: -155.537650
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -28.969
flat angles C4'-P-C4' energy: -31.957
flat angles P-C4'-P energy: -25.143
tors. eta vs tors. theta energy: -47.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -540.337959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.337959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.337959 (E_RNA)
where:
Base-Base interactions energy: -399.700
where: short stacking energy: -158.332
Base-Backbone interact. energy: -0.744
local terms energy: -139.893969
where:
bonds (distance) C4'-P energy: -25.606
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -26.020
flat angles P-C4'-P energy: -20.532
tors. eta vs tors. theta energy: -45.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -537.897376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.897376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.897376 (E_RNA)
where:
Base-Base interactions energy: -390.236
where: short stacking energy: -144.955
Base-Backbone interact. energy: 0.026
local terms energy: -147.686945
where:
bonds (distance) C4'-P energy: -27.557
bonds (distance) P-C4' energy: -26.184
flat angles C4'-P-C4' energy: -32.860
flat angles P-C4'-P energy: -18.938
tors. eta vs tors. theta energy: -42.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -535.927774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.927774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.927774 (E_RNA)
where:
Base-Base interactions energy: -390.443
where: short stacking energy: -148.720
Base-Backbone interact. energy: -0.458
local terms energy: -145.026742
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -21.684
flat angles C4'-P-C4' energy: -32.713
flat angles P-C4'-P energy: -25.307
tors. eta vs tors. theta energy: -43.659
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: 6, replica: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -534.427463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.427463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.427463 (E_RNA)
where:
Base-Base interactions energy: -391.085
where: short stacking energy: -159.303
Base-Backbone interact. energy: -0.003
local terms energy: -143.339530
where:
bonds (distance) C4'-P energy: -27.165
bonds (distance) P-C4' energy: -17.870
flat angles C4'-P-C4' energy: -29.610
flat angles P-C4'-P energy: -23.227
tors. eta vs tors. theta energy: -45.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -517.693890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.693890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.693890 (E_RNA)
where:
Base-Base interactions energy: -387.643
where: short stacking energy: -145.195
Base-Backbone interact. energy: -0.589
local terms energy: -129.461655
where:
bonds (distance) C4'-P energy: -21.791
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -26.733
flat angles P-C4'-P energy: -15.556
tors. eta vs tors. theta energy: -45.895
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: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -507.444473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.444473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.444473 (E_RNA)
where:
Base-Base interactions energy: -365.086
where: short stacking energy: -145.898
Base-Backbone interact. energy: -0.957
local terms energy: -141.401867
where:
bonds (distance) C4'-P energy: -25.545
bonds (distance) P-C4' energy: -29.061
flat angles C4'-P-C4' energy: -26.473
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -43.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -505.429701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.429701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.429701 (E_RNA)
where:
Base-Base interactions energy: -368.559
where: short stacking energy: -136.604
Base-Backbone interact. energy: -0.412
local terms energy: -136.459153
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -29.240
flat angles P-C4'-P energy: -21.147
tors. eta vs tors. theta energy: -42.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -509.174580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.174580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.174580 (E_RNA)
where:
Base-Base interactions energy: -379.769
where: short stacking energy: -150.200
Base-Backbone interact. energy: -0.809
local terms energy: -128.596776
where:
bonds (distance) C4'-P energy: -21.781
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -28.261
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -44.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -558.032987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.032987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.032987 (E_RNA)
where:
Base-Base interactions energy: -402.130
where: short stacking energy: -158.074
Base-Backbone interact. energy: -0.537
local terms energy: -155.365844
where:
bonds (distance) C4'-P energy: -30.493
bonds (distance) P-C4' energy: -25.128
flat angles C4'-P-C4' energy: -29.446
flat angles P-C4'-P energy: -22.839
tors. eta vs tors. theta energy: -47.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -564.768148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.768148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.768148 (E_RNA)
where:
Base-Base interactions energy: -406.592
where: short stacking energy: -162.828
Base-Backbone interact. energy: -0.687
local terms energy: -157.489690
where:
bonds (distance) C4'-P energy: -28.873
bonds (distance) P-C4' energy: -25.874
flat angles C4'-P-C4' energy: -29.399
flat angles P-C4'-P energy: -25.688
tors. eta vs tors. theta energy: -47.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -551.143685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.143685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.143685 (E_RNA)
where:
Base-Base interactions energy: -408.600
where: short stacking energy: -161.456
Base-Backbone interact. energy: -0.123
local terms energy: -142.421397
where:
bonds (distance) C4'-P energy: -23.923
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -29.085
flat angles P-C4'-P energy: -18.664
tors. eta vs tors. theta energy: -47.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -540.367111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.367111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.367111 (E_RNA)
where:
Base-Base interactions energy: -383.687
where: short stacking energy: -141.262
Base-Backbone interact. energy: -2.127
local terms energy: -154.553162
where:
bonds (distance) C4'-P energy: -28.665
bonds (distance) P-C4' energy: -25.203
flat angles C4'-P-C4' energy: -31.695
flat angles P-C4'-P energy: -23.331
tors. eta vs tors. theta energy: -45.660
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: 5, replica: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -529.438271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.438271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.438271 (E_RNA)
where:
Base-Base interactions energy: -384.350
where: short stacking energy: -146.296
Base-Backbone interact. energy: -1.359
local terms energy: -143.729703
where:
bonds (distance) C4'-P energy: -21.798
bonds (distance) P-C4' energy: -24.180
flat angles C4'-P-C4' energy: -31.451
flat angles P-C4'-P energy: -21.371
tors. eta vs tors. theta energy: -44.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -536.332150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.332150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.332150 (E_RNA)
where:
Base-Base interactions energy: -389.908
where: short stacking energy: -152.694
Base-Backbone interact. energy: -0.816
local terms energy: -145.608504
where:
bonds (distance) C4'-P energy: -24.320
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -29.411
flat angles P-C4'-P energy: -23.000
tors. eta vs tors. theta energy: -46.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -531.118660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.118660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.118660 (E_RNA)
where:
Base-Base interactions energy: -387.268
where: short stacking energy: -154.398
Base-Backbone interact. energy: -0.458
local terms energy: -143.392724
where:
bonds (distance) C4'-P energy: -25.923
bonds (distance) P-C4' energy: -19.814
flat angles C4'-P-C4' energy: -28.313
flat angles P-C4'-P energy: -23.404
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: 8, replica: 2
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -524.689871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.689871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.689871 (E_RNA)
where:
Base-Base interactions energy: -383.515
where: short stacking energy: -147.165
Base-Backbone interact. energy: -0.882
local terms energy: -140.293029
where:
bonds (distance) C4'-P energy: -27.819
bonds (distance) P-C4' energy: -19.790
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -23.313
tors. eta vs tors. theta energy: -46.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -516.899757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.899757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.899757 (E_RNA)
where:
Base-Base interactions energy: -374.661
where: short stacking energy: -143.030
Base-Backbone interact. energy: -0.002
local terms energy: -142.236494
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -31.586
flat angles C4'-P-C4' energy: -32.075
flat angles P-C4'-P energy: -18.659
tors. eta vs tors. theta energy: -44.486
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: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -501.219676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.219676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.219676 (E_RNA)
where:
Base-Base interactions energy: -369.629
where: short stacking energy: -147.823
Base-Backbone interact. energy: -0.002
local terms energy: -131.588218
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -20.805
tors. eta vs tors. theta energy: -47.500
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: 10
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -560.477128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.477128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.477128 (E_RNA)
where:
Base-Base interactions energy: -406.933
where: short stacking energy: -160.603
Base-Backbone interact. energy: -0.667
local terms energy: -152.876628
where:
bonds (distance) C4'-P energy: -23.732
bonds (distance) P-C4' energy: -29.627
flat angles C4'-P-C4' energy: -30.836
flat angles P-C4'-P energy: -21.882
tors. eta vs tors. theta energy: -46.799
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: 442
Temperature: 0.950000
Total energy: -553.043052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.043052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.043052 (E_RNA)
where:
Base-Base interactions energy: -407.884
where: short stacking energy: -152.055
Base-Backbone interact. energy: -0.605
local terms energy: -144.554000
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -25.854
flat angles C4'-P-C4' energy: -31.820
flat angles P-C4'-P energy: -19.891
tors. eta vs tors. theta energy: -45.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -546.899860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.899860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.899860 (E_RNA)
where:
Base-Base interactions energy: -398.663
where: short stacking energy: -156.835
Base-Backbone interact. energy: -1.024
local terms energy: -147.212932
where:
bonds (distance) C4'-P energy: -23.278
bonds (distance) P-C4' energy: -20.891
flat angles C4'-P-C4' energy: -31.912
flat angles P-C4'-P energy: -22.918
tors. eta vs tors. theta energy: -48.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -535.563437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.563437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.563437 (E_RNA)
where:
Base-Base interactions energy: -395.397
where: short stacking energy: -150.222
Base-Backbone interact. energy: -0.827
local terms energy: -139.339500
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -27.564
flat angles C4'-P-C4' energy: -29.835
flat angles P-C4'-P energy: -18.745
tors. eta vs tors. theta energy: -47.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -533.210961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.210961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.210961 (E_RNA)
where:
Base-Base interactions energy: -385.559
where: short stacking energy: -154.938
Base-Backbone interact. energy: -0.434
local terms energy: -147.217531
where:
bonds (distance) C4'-P energy: -23.045
bonds (distance) P-C4' energy: -25.969
flat angles C4'-P-C4' energy: -30.228
flat angles P-C4'-P energy: -21.215
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: 6, replica: 8
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -518.248852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.248852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.248852 (E_RNA)
where:
Base-Base interactions energy: -375.795
where: short stacking energy: -149.332
Base-Backbone interact. energy: -0.123
local terms energy: -142.330858
where:
bonds (distance) C4'-P energy: -25.075
bonds (distance) P-C4' energy: -26.169
flat angles C4'-P-C4' energy: -31.763
flat angles P-C4'-P energy: -16.777
tors. eta vs tors. theta energy: -42.548
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: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -522.906023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.906023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.906023 (E_RNA)
where:
Base-Base interactions energy: -392.972
where: short stacking energy: -154.716
Base-Backbone interact. energy: -1.460
local terms energy: -128.473972
where:
bonds (distance) C4'-P energy: -28.431
bonds (distance) P-C4' energy: -21.932
flat angles C4'-P-C4' energy: -20.715
flat angles P-C4'-P energy: -17.381
tors. eta vs tors. theta energy: -40.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -519.901793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.901793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.901793 (E_RNA)
where:
Base-Base interactions energy: -379.640
where: short stacking energy: -148.024
Base-Backbone interact. energy: -0.685
local terms energy: -139.576134
where:
bonds (distance) C4'-P energy: -18.678
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -29.078
flat angles P-C4'-P energy: -24.321
tors. eta vs tors. theta energy: -44.682
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: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -508.449915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.449915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.449915 (E_RNA)
where:
Base-Base interactions energy: -371.251
where: short stacking energy: -141.299
Base-Backbone interact. energy: -0.025
local terms energy: -137.173734
where:
bonds (distance) C4'-P energy: -21.003
bonds (distance) P-C4' energy: -27.603
flat angles C4'-P-C4' energy: -32.362
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -39.669
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: 4
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -491.238656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.238656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.238656 (E_RNA)
where:
Base-Base interactions energy: -355.564
where: short stacking energy: -145.260
Base-Backbone interact. energy: -0.594
local terms energy: -135.080873
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -27.656
flat angles P-C4'-P energy: -22.520
tors. eta vs tors. theta energy: -42.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -561.988398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.988398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.988398 (E_RNA)
where:
Base-Base interactions energy: -402.844
where: short stacking energy: -160.731
Base-Backbone interact. energy: -0.002
local terms energy: -159.142005
where:
bonds (distance) C4'-P energy: -27.703
bonds (distance) P-C4' energy: -31.760
flat angles C4'-P-C4' energy: -28.123
flat angles P-C4'-P energy: -22.602
tors. eta vs tors. theta energy: -48.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -556.902065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.902065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.902065 (E_RNA)
where:
Base-Base interactions energy: -399.561
where: short stacking energy: -159.100
Base-Backbone interact. energy: -0.356
local terms energy: -156.984867
where:
bonds (distance) C4'-P energy: -28.734
bonds (distance) P-C4' energy: -27.018
flat angles C4'-P-C4' energy: -33.427
flat angles P-C4'-P energy: -22.230
tors. eta vs tors. theta energy: -45.576
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: 1
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -544.614396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.614396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.614396 (E_RNA)
where:
Base-Base interactions energy: -401.419
where: short stacking energy: -157.361
Base-Backbone interact. energy: -0.002
local terms energy: -143.193255
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -27.600
flat angles C4'-P-C4' energy: -30.620
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -45.503
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: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -537.520410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.520410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.520410 (E_RNA)
where:
Base-Base interactions energy: -390.726
where: short stacking energy: -155.471
Base-Backbone interact. energy: -0.869
local terms energy: -145.925694
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -30.561
flat angles C4'-P-C4' energy: -29.937
flat angles P-C4'-P energy: -23.801
tors. eta vs tors. theta energy: -45.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -525.755715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.755715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.755715 (E_RNA)
where:
Base-Base interactions energy: -382.221
where: short stacking energy: -145.364
Base-Backbone interact. energy: -0.366
local terms energy: -143.168251
where:
bonds (distance) C4'-P energy: -28.067
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -28.101
flat angles P-C4'-P energy: -22.271
tors. eta vs tors. theta energy: -42.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -533.948006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.948006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.948006 (E_RNA)
where:
Base-Base interactions energy: -386.871
where: short stacking energy: -147.544
Base-Backbone interact. energy: -0.494
local terms energy: -146.583152
where:
bonds (distance) C4'-P energy: -30.191
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -29.780
flat angles P-C4'-P energy: -21.610
tors. eta vs tors. theta energy: -46.622
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: 8
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -521.468826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.468826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.468826 (E_RNA)
where:
Base-Base interactions energy: -385.897
where: short stacking energy: -150.679
Base-Backbone interact. energy: -1.056
local terms energy: -134.515084
where:
bonds (distance) C4'-P energy: -19.447
bonds (distance) P-C4' energy: -26.549
flat angles C4'-P-C4' energy: -21.890
flat angles P-C4'-P energy: -22.908
tors. eta vs tors. theta energy: -43.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -520.691580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.691580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.691580 (E_RNA)
where:
Base-Base interactions energy: -380.457
where: short stacking energy: -144.965
Base-Backbone interact. energy: -0.416
local terms energy: -139.818560
where:
bonds (distance) C4'-P energy: -23.601
bonds (distance) P-C4' energy: -19.162
flat angles C4'-P-C4' energy: -29.848
flat angles P-C4'-P energy: -20.499
tors. eta vs tors. theta energy: -46.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -512.277667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.277667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.277667 (E_RNA)
where:
Base-Base interactions energy: -383.639
where: short stacking energy: -145.584
Base-Backbone interact. energy: 1.337
local terms energy: -129.976279
where:
bonds (distance) C4'-P energy: -19.355
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -26.931
flat angles P-C4'-P energy: -21.954
tors. eta vs tors. theta energy: -41.641
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: 10, replica: 4
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -479.683081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.683081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.683081 (E_RNA)
where:
Base-Base interactions energy: -368.384
where: short stacking energy: -138.659
Base-Backbone interact. energy: -0.656
local terms energy: -110.642470
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -42.257
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: 10
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -556.977341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.977341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.977341 (E_RNA)
where:
Base-Base interactions energy: -402.082
where: short stacking energy: -152.597
Base-Backbone interact. energy: -0.926
local terms energy: -153.968835
where:
bonds (distance) C4'-P energy: -25.674
bonds (distance) P-C4' energy: -28.500
flat angles C4'-P-C4' energy: -30.012
flat angles P-C4'-P energy: -23.757
tors. eta vs tors. theta energy: -46.025
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: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -564.929315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.929315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.929315 (E_RNA)
where:
Base-Base interactions energy: -410.058
where: short stacking energy: -164.465
Base-Backbone interact. energy: 0.701
local terms energy: -155.571741
where:
bonds (distance) C4'-P energy: -28.357
bonds (distance) P-C4' energy: -26.224
flat angles C4'-P-C4' energy: -33.948
flat angles P-C4'-P energy: -20.520
tors. eta vs tors. theta energy: -46.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -542.526967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.526967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.526967 (E_RNA)
where:
Base-Base interactions energy: -394.123
where: short stacking energy: -154.942
Base-Backbone interact. energy: -1.927
local terms energy: -146.477118
where:
bonds (distance) C4'-P energy: -23.985
bonds (distance) P-C4' energy: -24.125
flat angles C4'-P-C4' energy: -31.822
flat angles P-C4'-P energy: -22.014
tors. eta vs tors. theta energy: -44.531
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: 4, replica: 1
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -555.450832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.450832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.450832 (E_RNA)
where:
Base-Base interactions energy: -407.092
where: short stacking energy: -160.350
Base-Backbone interact. energy: -0.172
local terms energy: -148.186451
where:
bonds (distance) C4'-P energy: -25.185
bonds (distance) P-C4' energy: -23.995
flat angles C4'-P-C4' energy: -33.861
flat angles P-C4'-P energy: -20.574
tors. eta vs tors. theta energy: -44.571
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: 5, replica: 2
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -534.033482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.033482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.033482 (E_RNA)
where:
Base-Base interactions energy: -387.795
where: short stacking energy: -149.665
Base-Backbone interact. energy: -0.474
local terms energy: -145.763943
where:
bonds (distance) C4'-P energy: -25.000
bonds (distance) P-C4' energy: -28.596
flat angles C4'-P-C4' energy: -26.927
flat angles P-C4'-P energy: -21.156
tors. eta vs tors. theta energy: -44.085
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: 7
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -527.013417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.013417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.013417 (E_RNA)
where:
Base-Base interactions energy: -383.157
where: short stacking energy: -152.233
Base-Backbone interact. energy: -0.321
local terms energy: -143.535302
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -31.423
flat angles C4'-P-C4' energy: -29.097
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -46.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -518.719988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.719988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.719988 (E_RNA)
where:
Base-Base interactions energy: -375.063
where: short stacking energy: -152.979
Base-Backbone interact. energy: -0.002
local terms energy: -143.655419
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -28.206
flat angles P-C4'-P energy: -18.876
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: 8, replica: 8
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -509.128139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.128139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.128139 (E_RNA)
where:
Base-Base interactions energy: -382.625
where: short stacking energy: -148.587
Base-Backbone interact. energy: -0.243
local terms energy: -126.260985
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -27.973
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -42.711
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: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -502.509987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.509987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.509987 (E_RNA)
where:
Base-Base interactions energy: -364.854
where: short stacking energy: -141.242
Base-Backbone interact. energy: -0.005
local terms energy: -137.651067
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -30.217
flat angles C4'-P-C4' energy: -28.353
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -44.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -499.668811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.668811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.668811 (E_RNA)
where:
Base-Base interactions energy: -367.931
where: short stacking energy: -142.631
Base-Backbone interact. energy: -0.002
local terms energy: -131.735856
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -30.414
flat angles P-C4'-P energy: -23.292
tors. eta vs tors. theta energy: -43.631
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: 10
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -567.801409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.801409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.801409 (E_RNA)
where:
Base-Base interactions energy: -403.951
where: short stacking energy: -156.062
Base-Backbone interact. energy: -1.247
local terms energy: -162.603102
where:
bonds (distance) C4'-P energy: -30.812
bonds (distance) P-C4' energy: -29.119
flat angles C4'-P-C4' energy: -28.841
flat angles P-C4'-P energy: -25.195
tors. eta vs tors. theta energy: -48.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -551.116956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.116956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.116956 (E_RNA)
where:
Base-Base interactions energy: -401.857
where: short stacking energy: -159.802
Base-Backbone interact. energy: -0.510
local terms energy: -148.749917
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -27.413
flat angles C4'-P-C4' energy: -27.557
flat angles P-C4'-P energy: -24.124
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: 3, replica: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -554.512430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.512430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.512430 (E_RNA)
where:
Base-Base interactions energy: -408.464
where: short stacking energy: -154.472
Base-Backbone interact. energy: -0.811
local terms energy: -145.237201
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -28.240
flat angles C4'-P-C4' energy: -25.535
flat angles P-C4'-P energy: -23.973
tors. eta vs tors. theta energy: -43.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -556.169600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.169600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.169600 (E_RNA)
where:
Base-Base interactions energy: -407.593
where: short stacking energy: -162.182
Base-Backbone interact. energy: -0.043
local terms energy: -148.534400
where:
bonds (distance) C4'-P energy: -26.787
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -31.102
flat angles P-C4'-P energy: -20.506
tors. eta vs tors. theta energy: -49.290
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: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -543.990701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.990701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.990701 (E_RNA)
where:
Base-Base interactions energy: -394.733
where: short stacking energy: -158.223
Base-Backbone interact. energy: -0.274
local terms energy: -148.984085
where:
bonds (distance) C4'-P energy: -25.382
bonds (distance) P-C4' energy: -25.838
flat angles C4'-P-C4' energy: -28.589
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -46.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -524.194067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.194067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.194067 (E_RNA)
where:
Base-Base interactions energy: -391.537
where: short stacking energy: -155.206
Base-Backbone interact. energy: -0.504
local terms energy: -132.152612
where:
bonds (distance) C4'-P energy: -24.303
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -26.062
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -44.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -517.140826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.140826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.140826 (E_RNA)
where:
Base-Base interactions energy: -369.601
where: short stacking energy: -146.426
Base-Backbone interact. energy: -0.118
local terms energy: -147.422276
where:
bonds (distance) C4'-P energy: -28.476
bonds (distance) P-C4' energy: -25.094
flat angles C4'-P-C4' energy: -31.894
flat angles P-C4'-P energy: -20.880
tors. eta vs tors. theta energy: -41.077
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: 8, replica: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -506.157412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.157412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.157412 (E_RNA)
where:
Base-Base interactions energy: -367.930
where: short stacking energy: -139.502
Base-Backbone interact. energy: 0.841
local terms energy: -139.067804
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -24.470
flat angles C4'-P-C4' energy: -28.343
flat angles P-C4'-P energy: -23.723
tors. eta vs tors. theta energy: -40.927
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: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -504.098715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.098715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.098715 (E_RNA)
where:
Base-Base interactions energy: -369.988
where: short stacking energy: -138.486
Base-Backbone interact. energy: -0.488
local terms energy: -133.622547
where:
bonds (distance) C4'-P energy: -23.506
bonds (distance) P-C4' energy: -27.686
flat angles C4'-P-C4' energy: -25.196
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -43.296
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: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -503.371690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.371690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.371690 (E_RNA)
where:
Base-Base interactions energy: -368.807
where: short stacking energy: -140.494
Base-Backbone interact. energy: -1.367
local terms energy: -133.197930
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -23.077
flat angles P-C4'-P energy: -19.207
tors. eta vs tors. theta energy: -42.986
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: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -563.949993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.949993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.949993 (E_RNA)
where:
Base-Base interactions energy: -404.240
where: short stacking energy: -159.452
Base-Backbone interact. energy: -0.783
local terms energy: -158.927211
where:
bonds (distance) C4'-P energy: -25.421
bonds (distance) P-C4' energy: -29.578
flat angles C4'-P-C4' energy: -32.955
flat angles P-C4'-P energy: -24.724
tors. eta vs tors. theta energy: -46.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -552.441569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.441569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.441569 (E_RNA)
where:
Base-Base interactions energy: -393.864
where: short stacking energy: -155.324
Base-Backbone interact. energy: -1.812
local terms energy: -156.765512
where:
bonds (distance) C4'-P energy: -25.787
bonds (distance) P-C4' energy: -26.875
flat angles C4'-P-C4' energy: -31.147
flat angles P-C4'-P energy: -26.093
tors. eta vs tors. theta energy: -46.864
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: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -556.390652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.390652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.390652 (E_RNA)
where:
Base-Base interactions energy: -400.023
where: short stacking energy: -160.361
Base-Backbone interact. energy: -0.920
local terms energy: -155.447917
where:
bonds (distance) C4'-P energy: -27.394
bonds (distance) P-C4' energy: -26.622
flat angles C4'-P-C4' energy: -31.474
flat angles P-C4'-P energy: -21.601
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: 4, replica: 9
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -523.975900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.975900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.975900 (E_RNA)
where:
Base-Base interactions energy: -374.363
where: short stacking energy: -141.452
Base-Backbone interact. energy: -0.090
local terms energy: -149.523034
where:
bonds (distance) C4'-P energy: -24.064
bonds (distance) P-C4' energy: -28.103
flat angles C4'-P-C4' energy: -30.880
flat angles P-C4'-P energy: -25.501
tors. eta vs tors. theta energy: -40.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -530.260911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.260911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.260911 (E_RNA)
where:
Base-Base interactions energy: -385.057
where: short stacking energy: -149.671
Base-Backbone interact. energy: -0.512
local terms energy: -144.692244
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -29.848
flat angles C4'-P-C4' energy: -27.368
flat angles P-C4'-P energy: -18.121
tors. eta vs tors. theta energy: -43.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -520.498720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.498720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.498720 (E_RNA)
where:
Base-Base interactions energy: -378.546
where: short stacking energy: -147.162
Base-Backbone interact. energy: -0.036
local terms energy: -141.916432
where:
bonds (distance) C4'-P energy: -25.646
bonds (distance) P-C4' energy: -23.361
flat angles C4'-P-C4' energy: -28.568
flat angles P-C4'-P energy: -18.682
tors. eta vs tors. theta energy: -45.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -512.376645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.376645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.376645 (E_RNA)
where:
Base-Base interactions energy: -381.242
where: short stacking energy: -152.852
Base-Backbone interact. energy: -0.008
local terms energy: -131.126566
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -33.470
flat angles P-C4'-P energy: -19.766
tors. eta vs tors. theta energy: -45.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -518.006527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.006527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.006527 (E_RNA)
where:
Base-Base interactions energy: -385.331
where: short stacking energy: -146.457
Base-Backbone interact. energy: -0.162
local terms energy: -132.513866
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -29.368
flat angles P-C4'-P energy: -21.623
tors. eta vs tors. theta energy: -43.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -512.446225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.446225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.446225 (E_RNA)
where:
Base-Base interactions energy: -373.972
where: short stacking energy: -140.883
Base-Backbone interact. energy: -0.204
local terms energy: -138.270881
where:
bonds (distance) C4'-P energy: -28.349
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -24.346
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -42.714
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: 10, replica: 4
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -507.453702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.453702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.453702 (E_RNA)
where:
Base-Base interactions energy: -375.135
where: short stacking energy: -145.346
Base-Backbone interact. energy: -0.423
local terms energy: -131.896071
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -27.172
flat angles C4'-P-C4' energy: -23.162
flat angles P-C4'-P energy: -22.429
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: 1, replica: 10
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -565.818445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.818445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.818445 (E_RNA)
where:
Base-Base interactions energy: -405.855
where: short stacking energy: -157.980
Base-Backbone interact. energy: -0.820
local terms energy: -159.143314
where:
bonds (distance) C4'-P energy: -28.191
bonds (distance) P-C4' energy: -30.867
flat angles C4'-P-C4' energy: -29.478
flat angles P-C4'-P energy: -23.165
tors. eta vs tors. theta energy: -47.443
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: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -551.691532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.691532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.691532 (E_RNA)
where:
Base-Base interactions energy: -389.892
where: short stacking energy: -148.414
Base-Backbone interact. energy: -0.744
local terms energy: -161.055902
where:
bonds (distance) C4'-P energy: -27.926
bonds (distance) P-C4' energy: -32.123
flat angles C4'-P-C4' energy: -32.080
flat angles P-C4'-P energy: -26.436
tors. eta vs tors. theta energy: -42.491
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: 447
Temperature: 1.000000
Total energy: -551.375929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.375929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.375929 (E_RNA)
where:
Base-Base interactions energy: -401.110
where: short stacking energy: -156.749
Base-Backbone interact. energy: 1.281
local terms energy: -151.547046
where:
bonds (distance) C4'-P energy: -28.789
bonds (distance) P-C4' energy: -29.719
flat angles C4'-P-C4' energy: -27.782
flat angles P-C4'-P energy: -20.951
tors. eta vs tors. theta energy: -44.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -541.985427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.985427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.985427 (E_RNA)
where:
Base-Base interactions energy: -393.991
where: short stacking energy: -153.178
Base-Backbone interact. energy: -0.794
local terms energy: -147.200451
where:
bonds (distance) C4'-P energy: -23.662
bonds (distance) P-C4' energy: -28.122
flat angles C4'-P-C4' energy: -27.521
flat angles P-C4'-P energy: -19.776
tors. eta vs tors. theta energy: -48.119
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: 5, replica: 9
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -538.868380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.868380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.868380 (E_RNA)
where:
Base-Base interactions energy: -391.085
where: short stacking energy: -152.762
Base-Backbone interact. energy: -0.655
local terms energy: -147.128003
where:
bonds (distance) C4'-P energy: -27.271
bonds (distance) P-C4' energy: -24.038
flat angles C4'-P-C4' energy: -29.424
flat angles P-C4'-P energy: -23.580
tors. eta vs tors. theta energy: -42.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -524.877517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.877517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.877517 (E_RNA)
where:
Base-Base interactions energy: -373.299
where: short stacking energy: -147.675
Base-Backbone interact. energy: -1.649
local terms energy: -149.929463
where:
bonds (distance) C4'-P energy: -27.097
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -30.962
flat angles P-C4'-P energy: -21.865
tors. eta vs tors. theta energy: -45.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -515.683477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.683477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.683477 (E_RNA)
where:
Base-Base interactions energy: -362.359
where: short stacking energy: -144.492
Base-Backbone interact. energy: -0.771
local terms energy: -152.553560
where:
bonds (distance) C4'-P energy: -27.690
bonds (distance) P-C4' energy: -26.776
flat angles C4'-P-C4' energy: -29.056
flat angles P-C4'-P energy: -25.374
tors. eta vs tors. theta energy: -43.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -519.059646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.059646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.059646 (E_RNA)
where:
Base-Base interactions energy: -380.296
where: short stacking energy: -144.502
Base-Backbone interact. energy: -0.561
local terms energy: -138.202652
where:
bonds (distance) C4'-P energy: -22.072
bonds (distance) P-C4' energy: -24.876
flat angles C4'-P-C4' energy: -27.744
flat angles P-C4'-P energy: -19.497
tors. eta vs tors. theta energy: -44.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -520.797102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.797102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.797102 (E_RNA)
where:
Base-Base interactions energy: -377.056
where: short stacking energy: -144.278
Base-Backbone interact. energy: -0.293
local terms energy: -143.448324
where:
bonds (distance) C4'-P energy: -26.341
bonds (distance) P-C4' energy: -25.071
flat angles C4'-P-C4' energy: -29.889
flat angles P-C4'-P energy: -18.509
tors. eta vs tors. theta energy: -43.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -495.614734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.614734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.614734 (E_RNA)
where:
Base-Base interactions energy: -362.107
where: short stacking energy: -140.966
Base-Backbone interact. energy: -0.083
local terms energy: -133.424125
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -30.559
flat angles P-C4'-P energy: -18.408
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: 1, replica: 10
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -564.299371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.299371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.299371 (E_RNA)
where:
Base-Base interactions energy: -411.312
where: short stacking energy: -164.096
Base-Backbone interact. energy: -1.612
local terms energy: -151.375120
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -25.605
flat angles C4'-P-C4' energy: -26.203
flat angles P-C4'-P energy: -24.183
tors. eta vs tors. theta energy: -48.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -552.434654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.434654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.434654 (E_RNA)
where:
Base-Base interactions energy: -399.877
where: short stacking energy: -155.221
Base-Backbone interact. energy: -0.514
local terms energy: -152.043077
where:
bonds (distance) C4'-P energy: -24.077
bonds (distance) P-C4' energy: -30.168
flat angles C4'-P-C4' energy: -28.263
flat angles P-C4'-P energy: -24.113
tors. eta vs tors. theta energy: -45.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -550.897297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.897297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.897297 (E_RNA)
where:
Base-Base interactions energy: -402.769
where: short stacking energy: -157.283
Base-Backbone interact. energy: -0.825
local terms energy: -147.303068
where:
bonds (distance) C4'-P energy: -23.650
bonds (distance) P-C4' energy: -23.896
flat angles C4'-P-C4' energy: -29.777
flat angles P-C4'-P energy: -21.945
tors. eta vs tors. theta energy: -48.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -542.870998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.870998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.870998 (E_RNA)
where:
Base-Base interactions energy: -399.639
where: short stacking energy: -155.016
Base-Backbone interact. energy: 0.064
local terms energy: -143.295406
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -28.161
flat angles P-C4'-P energy: -24.954
tors. eta vs tors. theta energy: -43.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -534.402878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.402878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.402878 (E_RNA)
where:
Base-Base interactions energy: -379.509
where: short stacking energy: -146.987
Base-Backbone interact. energy: -0.745
local terms energy: -154.148872
where:
bonds (distance) C4'-P energy: -29.753
bonds (distance) P-C4' energy: -27.539
flat angles C4'-P-C4' energy: -30.227
flat angles P-C4'-P energy: -19.618
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: 6, replica: 8
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -535.074046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.074046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.074046 (E_RNA)
where:
Base-Base interactions energy: -400.527
where: short stacking energy: -158.971
Base-Backbone interact. energy: -0.318
local terms energy: -134.229305
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -22.325
flat angles C4'-P-C4' energy: -26.067
flat angles P-C4'-P energy: -18.019
tors. eta vs tors. theta energy: -47.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -521.580331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.580331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.580331 (E_RNA)
where:
Base-Base interactions energy: -387.298
where: short stacking energy: -148.671
Base-Backbone interact. energy: -0.461
local terms energy: -133.820574
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -24.310
flat angles C4'-P-C4' energy: -23.079
flat angles P-C4'-P energy: -19.557
tors. eta vs tors. theta energy: -45.847
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: 6
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -514.052338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.052338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.052338 (E_RNA)
where:
Base-Base interactions energy: -385.372
where: short stacking energy: -148.464
Base-Backbone interact. energy: 0.218
local terms energy: -128.898915
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -24.565
flat angles C4'-P-C4' energy: -27.211
flat angles P-C4'-P energy: -11.457
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: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -502.861779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.861779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.861779 (E_RNA)
where:
Base-Base interactions energy: -371.803
where: short stacking energy: -147.475
Base-Backbone interact. energy: -0.008
local terms energy: -131.050830
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -16.810
flat angles C4'-P-C4' energy: -26.032
flat angles P-C4'-P energy: -22.396
tors. eta vs tors. theta energy: -45.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -493.987738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.987738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.987738 (E_RNA)
where:
Base-Base interactions energy: -361.346
where: short stacking energy: -135.805
Base-Backbone interact. energy: -0.006
local terms energy: -132.635205
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -26.567
flat angles C4'-P-C4' energy: -22.915
flat angles P-C4'-P energy: -18.643
tors. eta vs tors. theta energy: -42.873
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: 10
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -562.097854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.097854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.097854 (E_RNA)
where:
Base-Base interactions energy: -404.774
where: short stacking energy: -162.373
Base-Backbone interact. energy: -0.590
local terms energy: -156.734267
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -29.653
flat angles C4'-P-C4' energy: -33.810
flat angles P-C4'-P energy: -22.537
tors. eta vs tors. theta energy: -43.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -553.973763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.973763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.973763 (E_RNA)
where:
Base-Base interactions energy: -405.108
where: short stacking energy: -163.378
Base-Backbone interact. energy: 1.613
local terms energy: -150.478977
where:
bonds (distance) C4'-P energy: -25.272
bonds (distance) P-C4' energy: -22.780
flat angles C4'-P-C4' energy: -33.484
flat angles P-C4'-P energy: -24.674
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: 3, replica: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -540.286137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.286137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.286137 (E_RNA)
where:
Base-Base interactions energy: -392.045
where: short stacking energy: -149.057
Base-Backbone interact. energy: -0.552
local terms energy: -147.688798
where:
bonds (distance) C4'-P energy: -26.321
bonds (distance) P-C4' energy: -25.539
flat angles C4'-P-C4' energy: -29.790
flat angles P-C4'-P energy: -20.693
tors. eta vs tors. theta energy: -45.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -534.502792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.502792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.502792 (E_RNA)
where:
Base-Base interactions energy: -384.653
where: short stacking energy: -149.987
Base-Backbone interact. energy: -0.222
local terms energy: -149.627768
where:
bonds (distance) C4'-P energy: -24.984
bonds (distance) P-C4' energy: -28.840
flat angles C4'-P-C4' energy: -29.980
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -47.345
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: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -535.056024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.056024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.056024 (E_RNA)
where:
Base-Base interactions energy: -383.322
where: short stacking energy: -149.236
Base-Backbone interact. energy: 2.047
local terms energy: -153.780809
where:
bonds (distance) C4'-P energy: -27.248
bonds (distance) P-C4' energy: -29.816
flat angles C4'-P-C4' energy: -29.028
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -45.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -537.058530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.058530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.058530 (E_RNA)
where:
Base-Base interactions energy: -391.209
where: short stacking energy: -152.680
Base-Backbone interact. energy: -0.008
local terms energy: -145.841993
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -27.789
flat angles C4'-P-C4' energy: -30.053
flat angles P-C4'-P energy: -17.033
tors. eta vs tors. theta energy: -47.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -519.679185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.679185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.679185 (E_RNA)
where:
Base-Base interactions energy: -381.609
where: short stacking energy: -148.526
Base-Backbone interact. energy: -0.786
local terms energy: -137.284752
where:
bonds (distance) C4'-P energy: -26.693
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -27.220
flat angles P-C4'-P energy: -16.775
tors. eta vs tors. theta energy: -46.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -515.431905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.431905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.431905 (E_RNA)
where:
Base-Base interactions energy: -379.264
where: short stacking energy: -148.395
Base-Backbone interact. energy: -0.386
local terms energy: -135.782220
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -24.975
flat angles C4'-P-C4' energy: -26.773
flat angles P-C4'-P energy: -21.323
tors. eta vs tors. theta energy: -45.951
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: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -491.943341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.943341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.943341 (E_RNA)
where:
Base-Base interactions energy: -354.858
where: short stacking energy: -136.908
Base-Backbone interact. energy: 1.146
local terms energy: -138.231971
where:
bonds (distance) C4'-P energy: -30.229
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -25.954
flat angles P-C4'-P energy: -20.473
tors. eta vs tors. theta energy: -39.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -509.463847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.463847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.463847 (E_RNA)
where:
Base-Base interactions energy: -367.134
where: short stacking energy: -141.979
Base-Backbone interact. energy: -0.003
local terms energy: -142.327184
where:
bonds (distance) C4'-P energy: -21.748
bonds (distance) P-C4' energy: -25.658
flat angles C4'-P-C4' energy: -28.422
flat angles P-C4'-P energy: -19.907
tors. eta vs tors. theta energy: -46.592
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: 1, replica: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -565.345157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.345157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.345157 (E_RNA)
where:
Base-Base interactions energy: -409.085
where: short stacking energy: -159.746
Base-Backbone interact. energy: -1.958
local terms energy: -154.301382
where:
bonds (distance) C4'-P energy: -25.186
bonds (distance) P-C4' energy: -24.400
flat angles C4'-P-C4' energy: -32.280
flat angles P-C4'-P energy: -23.953
tors. eta vs tors. theta energy: -48.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -560.121573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.121573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.121573 (E_RNA)
where:
Base-Base interactions energy: -401.290
where: short stacking energy: -159.054
Base-Backbone interact. energy: -0.607
local terms energy: -158.224709
where:
bonds (distance) C4'-P energy: -29.865
bonds (distance) P-C4' energy: -28.735
flat angles C4'-P-C4' energy: -27.327
flat angles P-C4'-P energy: -25.447
tors. eta vs tors. theta energy: -46.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -548.146600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.146600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.146600 (E_RNA)
where:
Base-Base interactions energy: -397.028
where: short stacking energy: -157.212
Base-Backbone interact. energy: -1.542
local terms energy: -149.576106
where:
bonds (distance) C4'-P energy: -24.029
bonds (distance) P-C4' energy: -26.706
flat angles C4'-P-C4' energy: -28.782
flat angles P-C4'-P energy: -22.860
tors. eta vs tors. theta energy: -47.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -538.334730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.334730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.334730 (E_RNA)
where:
Base-Base interactions energy: -387.040
where: short stacking energy: -149.182
Base-Backbone interact. energy: -0.469
local terms energy: -150.825352
where:
bonds (distance) C4'-P energy: -19.786
bonds (distance) P-C4' energy: -31.351
flat angles C4'-P-C4' energy: -30.486
flat angles P-C4'-P energy: -24.997
tors. eta vs tors. theta energy: -44.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -541.263967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.263967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.263967 (E_RNA)
where:
Base-Base interactions energy: -387.715
where: short stacking energy: -148.999
Base-Backbone interact. energy: -0.476
local terms energy: -153.073769
where:
bonds (distance) C4'-P energy: -25.589
bonds (distance) P-C4' energy: -26.776
flat angles C4'-P-C4' energy: -34.239
flat angles P-C4'-P energy: -22.097
tors. eta vs tors. theta energy: -44.373
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: 2
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -527.877938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.877938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.877938 (E_RNA)
where:
Base-Base interactions energy: -378.087
where: short stacking energy: -147.649
Base-Backbone interact. energy: -0.325
local terms energy: -149.465712
where:
bonds (distance) C4'-P energy: -25.605
bonds (distance) P-C4' energy: -26.692
flat angles C4'-P-C4' energy: -34.162
flat angles P-C4'-P energy: -19.962
tors. eta vs tors. theta energy: -43.045
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: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -516.542267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.542267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.542267 (E_RNA)
where:
Base-Base interactions energy: -374.525
where: short stacking energy: -147.457
Base-Backbone interact. energy: -0.533
local terms energy: -141.484147
where:
bonds (distance) C4'-P energy: -22.268
bonds (distance) P-C4' energy: -25.979
flat angles C4'-P-C4' energy: -31.285
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -45.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -513.001505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.001505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.001505 (E_RNA)
where:
Base-Base interactions energy: -375.521
where: short stacking energy: -150.779
Base-Backbone interact. energy: -0.003
local terms energy: -137.476669
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -26.907
flat angles P-C4'-P energy: -20.341
tors. eta vs tors. theta energy: -46.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -502.858022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.858022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.858022 (E_RNA)
where:
Base-Base interactions energy: -377.445
where: short stacking energy: -149.307
Base-Backbone interact. energy: -0.013
local terms energy: -125.400534
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -24.978
flat angles C4'-P-C4' energy: -23.477
flat angles P-C4'-P energy: -17.114
tors. eta vs tors. theta energy: -45.960
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: 4
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -481.452152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.452152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.452152 (E_RNA)
where:
Base-Base interactions energy: -349.754
where: short stacking energy: -140.607
Base-Backbone interact. energy: -0.120
local terms energy: -131.578429
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -22.277
flat angles C4'-P-C4' energy: -29.205
flat angles P-C4'-P energy: -20.096
tors. eta vs tors. theta energy: -41.716
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: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -564.184339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.184339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.184339 (E_RNA)
where:
Base-Base interactions energy: -407.904
where: short stacking energy: -161.668
Base-Backbone interact. energy: -0.255
local terms energy: -156.025627
where:
bonds (distance) C4'-P energy: -24.374
bonds (distance) P-C4' energy: -24.044
flat angles C4'-P-C4' energy: -34.616
flat angles P-C4'-P energy: -24.516
tors. eta vs tors. theta energy: -48.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -563.149251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.149251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.149251 (E_RNA)
where:
Base-Base interactions energy: -408.565
where: short stacking energy: -160.965
Base-Backbone interact. energy: -1.412
local terms energy: -153.172463
where:
bonds (distance) C4'-P energy: -28.485
bonds (distance) P-C4' energy: -26.511
flat angles C4'-P-C4' energy: -27.205
flat angles P-C4'-P energy: -23.874
tors. eta vs tors. theta energy: -47.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -548.535991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.535991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.535991 (E_RNA)
where:
Base-Base interactions energy: -398.872
where: short stacking energy: -155.669
Base-Backbone interact. energy: -0.651
local terms energy: -149.013210
where:
bonds (distance) C4'-P energy: -23.704
bonds (distance) P-C4' energy: -22.279
flat angles C4'-P-C4' energy: -31.239
flat angles P-C4'-P energy: -24.496
tors. eta vs tors. theta energy: -47.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -543.029353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.029353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.029353 (E_RNA)
where:
Base-Base interactions energy: -392.560
where: short stacking energy: -151.507
Base-Backbone interact. energy: -0.247
local terms energy: -150.222396
where:
bonds (distance) C4'-P energy: -29.067
bonds (distance) P-C4' energy: -24.606
flat angles C4'-P-C4' energy: -32.935
flat angles P-C4'-P energy: -21.379
tors. eta vs tors. theta energy: -42.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -533.048270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.048270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.048270 (E_RNA)
where:
Base-Base interactions energy: -380.701
where: short stacking energy: -148.690
Base-Backbone interact. energy: 2.230
local terms energy: -154.577587
where:
bonds (distance) C4'-P energy: -26.729
bonds (distance) P-C4' energy: -30.165
flat angles C4'-P-C4' energy: -29.488
flat angles P-C4'-P energy: -22.015
tors. eta vs tors. theta energy: -46.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -541.642984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.642984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.642984 (E_RNA)
where:
Base-Base interactions energy: -392.032
where: short stacking energy: -150.949
Base-Backbone interact. energy: -0.549
local terms energy: -149.062502
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -29.474
flat angles C4'-P-C4' energy: -30.072
flat angles P-C4'-P energy: -19.598
tors. eta vs tors. theta energy: -47.329
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: 2
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -530.948956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.948956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.948956 (E_RNA)
where:
Base-Base interactions energy: -387.718
where: short stacking energy: -144.176
Base-Backbone interact. energy: -2.119
local terms energy: -141.112798
where:
bonds (distance) C4'-P energy: -25.012
bonds (distance) P-C4' energy: -20.141
flat angles C4'-P-C4' energy: -27.308
flat angles P-C4'-P energy: -22.825
tors. eta vs tors. theta energy: -45.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -523.724547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.724547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.724547 (E_RNA)
where:
Base-Base interactions energy: -378.074
where: short stacking energy: -144.490
Base-Backbone interact. energy: -1.354
local terms energy: -144.296898
where:
bonds (distance) C4'-P energy: -22.359
bonds (distance) P-C4' energy: -24.520
flat angles C4'-P-C4' energy: -31.555
flat angles P-C4'-P energy: -22.013
tors. eta vs tors. theta energy: -43.850
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: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -515.548269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.548269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.548269 (E_RNA)
where:
Base-Base interactions energy: -380.634
where: short stacking energy: -150.582
Base-Backbone interact. energy: -0.005
local terms energy: -134.909598
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -29.047
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -46.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -482.779303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.779303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.779303 (E_RNA)
where:
Base-Base interactions energy: -364.190
where: short stacking energy: -139.811
Base-Backbone interact. energy: -0.944
local terms energy: -117.646004
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -27.382
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -44.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -562.585847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.585847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.585847 (E_RNA)
where:
Base-Base interactions energy: -397.295
where: short stacking energy: -156.487
Base-Backbone interact. energy: -0.048
local terms energy: -165.242635
where:
bonds (distance) C4'-P energy: -30.931
bonds (distance) P-C4' energy: -28.612
flat angles C4'-P-C4' energy: -33.020
flat angles P-C4'-P energy: -24.230
tors. eta vs tors. theta energy: -48.450
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: 452
Temperature: 0.950000
Total energy: -554.182871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.182871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.182871 (E_RNA)
where:
Base-Base interactions energy: -396.841
where: short stacking energy: -153.041
Base-Backbone interact. energy: -0.002
local terms energy: -157.339723
where:
bonds (distance) C4'-P energy: -28.652
bonds (distance) P-C4' energy: -24.440
flat angles C4'-P-C4' energy: -32.168
flat angles P-C4'-P energy: -24.948
tors. eta vs tors. theta energy: -47.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -555.895493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.895493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.895493 (E_RNA)
where:
Base-Base interactions energy: -400.111
where: short stacking energy: -157.710
Base-Backbone interact. energy: -0.165
local terms energy: -155.619557
where:
bonds (distance) C4'-P energy: -31.363
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -29.583
flat angles P-C4'-P energy: -21.930
tors. eta vs tors. theta energy: -47.894
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: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -543.208167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.208167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.208167 (E_RNA)
where:
Base-Base interactions energy: -397.778
where: short stacking energy: -155.687
Base-Backbone interact. energy: -0.003
local terms energy: -145.427064
where:
bonds (distance) C4'-P energy: -24.681
bonds (distance) P-C4' energy: -24.182
flat angles C4'-P-C4' energy: -26.929
flat angles P-C4'-P energy: -23.049
tors. eta vs tors. theta energy: -46.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -542.358706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.358706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.358706 (E_RNA)
where:
Base-Base interactions energy: -396.472
where: short stacking energy: -154.551
Base-Backbone interact. energy: -0.289
local terms energy: -145.597551
where:
bonds (distance) C4'-P energy: -23.536
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -30.843
flat angles P-C4'-P energy: -20.576
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: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -535.108446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.108446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.108446 (E_RNA)
where:
Base-Base interactions energy: -386.283
where: short stacking energy: -152.136
Base-Backbone interact. energy: -1.088
local terms energy: -147.736945
where:
bonds (distance) C4'-P energy: -30.751
bonds (distance) P-C4' energy: -20.018
flat angles C4'-P-C4' energy: -30.937
flat angles P-C4'-P energy: -21.513
tors. eta vs tors. theta energy: -44.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -539.662082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.662082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.662082 (E_RNA)
where:
Base-Base interactions energy: -400.500
where: short stacking energy: -159.822
Base-Backbone interact. energy: -0.786
local terms energy: -138.376272
where:
bonds (distance) C4'-P energy: -23.484
bonds (distance) P-C4' energy: -24.846
flat angles C4'-P-C4' energy: -28.503
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -47.168
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: 7
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -513.482989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.482989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.482989 (E_RNA)
where:
Base-Base interactions energy: -378.677
where: short stacking energy: -147.590
Base-Backbone interact. energy: -1.705
local terms energy: -133.101304
where:
bonds (distance) C4'-P energy: -23.876
bonds (distance) P-C4' energy: -24.226
flat angles C4'-P-C4' energy: -26.888
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -44.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -506.325598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.325598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.325598 (E_RNA)
where:
Base-Base interactions energy: -365.799
where: short stacking energy: -136.629
Base-Backbone interact. energy: -0.033
local terms energy: -140.492953
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -29.119
flat angles C4'-P-C4' energy: -29.267
flat angles P-C4'-P energy: -19.044
tors. eta vs tors. theta energy: -46.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -502.185131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.185131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.185131 (E_RNA)
where:
Base-Base interactions energy: -362.507
where: short stacking energy: -138.416
Base-Backbone interact. energy: -2.386
local terms energy: -137.291794
where:
bonds (distance) C4'-P energy: -30.066
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -27.588
flat angles P-C4'-P energy: -16.729
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: 1, replica: 1
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -564.676256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.676256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.676256 (E_RNA)
where:
Base-Base interactions energy: -407.438
where: short stacking energy: -153.619
Base-Backbone interact. energy: -0.651
local terms energy: -156.587296
where:
bonds (distance) C4'-P energy: -30.208
bonds (distance) P-C4' energy: -26.479
flat angles C4'-P-C4' energy: -30.931
flat angles P-C4'-P energy: -23.186
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: 2, replica: 10
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -557.549673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.549673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.549673 (E_RNA)
where:
Base-Base interactions energy: -405.521
where: short stacking energy: -158.371
Base-Backbone interact. energy: -1.780
local terms energy: -150.248593
where:
bonds (distance) C4'-P energy: -25.749
bonds (distance) P-C4' energy: -26.049
flat angles C4'-P-C4' energy: -31.492
flat angles P-C4'-P energy: -19.431
tors. eta vs tors. theta energy: -47.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -546.555207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.555207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.555207 (E_RNA)
where:
Base-Base interactions energy: -400.085
where: short stacking energy: -157.215
Base-Backbone interact. energy: -0.797
local terms energy: -145.672909
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -25.854
flat angles C4'-P-C4' energy: -31.293
flat angles P-C4'-P energy: -24.383
tors. eta vs tors. theta energy: -47.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -547.504909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.504909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.504909 (E_RNA)
where:
Base-Base interactions energy: -400.450
where: short stacking energy: -162.864
Base-Backbone interact. energy: -0.926
local terms energy: -146.128219
where:
bonds (distance) C4'-P energy: -20.292
bonds (distance) P-C4' energy: -28.613
flat angles C4'-P-C4' energy: -29.473
flat angles P-C4'-P energy: -19.977
tors. eta vs tors. theta energy: -47.773
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: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -535.420880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.420880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.420880 (E_RNA)
where:
Base-Base interactions energy: -391.967
where: short stacking energy: -153.656
Base-Backbone interact. energy: -1.108
local terms energy: -142.345524
where:
bonds (distance) C4'-P energy: -21.939
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -28.937
flat angles P-C4'-P energy: -21.523
tors. eta vs tors. theta energy: -45.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -529.019066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.019066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.019066 (E_RNA)
where:
Base-Base interactions energy: -389.223
where: short stacking energy: -151.255
Base-Backbone interact. energy: -0.001
local terms energy: -139.795428
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -25.450
flat angles C4'-P-C4' energy: -30.580
flat angles P-C4'-P energy: -21.354
tors. eta vs tors. theta energy: -42.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -526.870776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.870776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.870776 (E_RNA)
where:
Base-Base interactions energy: -383.962
where: short stacking energy: -143.315
Base-Backbone interact. energy: -0.276
local terms energy: -142.632824
where:
bonds (distance) C4'-P energy: -27.026
bonds (distance) P-C4' energy: -26.318
flat angles C4'-P-C4' energy: -27.018
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -42.871
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: 7
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -516.325375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.325375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.325375 (E_RNA)
where:
Base-Base interactions energy: -371.566
where: short stacking energy: -149.070
Base-Backbone interact. energy: -0.001
local terms energy: -144.757971
where:
bonds (distance) C4'-P energy: -26.565
bonds (distance) P-C4' energy: -23.882
flat angles C4'-P-C4' energy: -28.157
flat angles P-C4'-P energy: -23.255
tors. eta vs tors. theta energy: -42.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -498.092670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.092670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.092670 (E_RNA)
where:
Base-Base interactions energy: -368.905
where: short stacking energy: -140.701
Base-Backbone interact. energy: -1.012
local terms energy: -128.175511
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -21.096
flat angles C4'-P-C4' energy: -22.356
flat angles P-C4'-P energy: -19.044
tors. eta vs tors. theta energy: -45.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -502.101759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.101759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.101759 (E_RNA)
where:
Base-Base interactions energy: -362.851
where: short stacking energy: -137.193
Base-Backbone interact. energy: -0.457
local terms energy: -138.793684
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -28.587
flat angles P-C4'-P energy: -23.299
tors. eta vs tors. theta energy: -45.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -564.214312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.214312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.214312 (E_RNA)
where:
Base-Base interactions energy: -409.907
where: short stacking energy: -158.712
Base-Backbone interact. energy: -0.009
local terms energy: -154.297921
where:
bonds (distance) C4'-P energy: -27.632
bonds (distance) P-C4' energy: -28.392
flat angles C4'-P-C4' energy: -32.047
flat angles P-C4'-P energy: -20.113
tors. eta vs tors. theta energy: -46.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -559.299778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.299778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.299778 (E_RNA)
where:
Base-Base interactions energy: -397.794
where: short stacking energy: -159.651
Base-Backbone interact. energy: -0.123
local terms energy: -161.382799
where:
bonds (distance) C4'-P energy: -24.952
bonds (distance) P-C4' energy: -29.204
flat angles C4'-P-C4' energy: -34.027
flat angles P-C4'-P energy: -25.987
tors. eta vs tors. theta energy: -47.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -545.790692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.790692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.790692 (E_RNA)
where:
Base-Base interactions energy: -389.612
where: short stacking energy: -155.614
Base-Backbone interact. energy: -1.112
local terms energy: -155.066448
where:
bonds (distance) C4'-P energy: -25.128
bonds (distance) P-C4' energy: -30.271
flat angles C4'-P-C4' energy: -31.378
flat angles P-C4'-P energy: -19.708
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: 4, replica: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -548.480998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.480998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.480998 (E_RNA)
where:
Base-Base interactions energy: -401.495
where: short stacking energy: -157.394
Base-Backbone interact. energy: -0.055
local terms energy: -146.930968
where:
bonds (distance) C4'-P energy: -23.912
bonds (distance) P-C4' energy: -25.029
flat angles C4'-P-C4' energy: -30.919
flat angles P-C4'-P energy: -19.664
tors. eta vs tors. theta energy: -47.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -537.280602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.280602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.280602 (E_RNA)
where:
Base-Base interactions energy: -384.986
where: short stacking energy: -150.669
Base-Backbone interact. energy: -1.536
local terms energy: -150.759080
where:
bonds (distance) C4'-P energy: -29.609
bonds (distance) P-C4' energy: -23.376
flat angles C4'-P-C4' energy: -29.972
flat angles P-C4'-P energy: -21.686
tors. eta vs tors. theta energy: -46.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -531.226139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.226139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.226139 (E_RNA)
where:
Base-Base interactions energy: -387.091
where: short stacking energy: -156.753
Base-Backbone interact. energy: -0.180
local terms energy: -143.954812
where:
bonds (distance) C4'-P energy: -23.701
bonds (distance) P-C4' energy: -22.659
flat angles C4'-P-C4' energy: -31.345
flat angles P-C4'-P energy: -20.703
tors. eta vs tors. theta energy: -45.547
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: 7, replica: 7
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -515.647322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.647322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.647322 (E_RNA)
where:
Base-Base interactions energy: -371.756
where: short stacking energy: -137.566
Base-Backbone interact. energy: -0.064
local terms energy: -143.826699
where:
bonds (distance) C4'-P energy: -28.270
bonds (distance) P-C4' energy: -24.688
flat angles C4'-P-C4' energy: -27.984
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -46.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -514.995459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.995459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.995459 (E_RNA)
where:
Base-Base interactions energy: -381.610
where: short stacking energy: -150.172
Base-Backbone interact. energy: -0.093
local terms energy: -133.292233
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -31.629
flat angles P-C4'-P energy: -19.621
tors. eta vs tors. theta energy: -44.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -498.974972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.974972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.974972 (E_RNA)
where:
Base-Base interactions energy: -361.610
where: short stacking energy: -145.094
Base-Backbone interact. energy: 0.415
local terms energy: -137.780208
where:
bonds (distance) C4'-P energy: -23.223
bonds (distance) P-C4' energy: -19.323
flat angles C4'-P-C4' energy: -31.276
flat angles P-C4'-P energy: -24.262
tors. eta vs tors. theta energy: -39.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -456.813543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.813543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.813543 (E_RNA)
where:
Base-Base interactions energy: -343.346
where: short stacking energy: -126.480
Base-Backbone interact. energy: 1.762
local terms energy: -115.228875
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -28.005
flat angles C4'-P-C4' energy: -21.246
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -37.592
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: 1, replica: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -555.429669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.429669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.429669 (E_RNA)
where:
Base-Base interactions energy: -397.790
where: short stacking energy: -158.346
Base-Backbone interact. energy: -0.124
local terms energy: -157.515022
where:
bonds (distance) C4'-P energy: -29.059
bonds (distance) P-C4' energy: -30.505
flat angles C4'-P-C4' energy: -31.908
flat angles P-C4'-P energy: -19.408
tors. eta vs tors. theta energy: -46.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -549.255466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.255466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.255466 (E_RNA)
where:
Base-Base interactions energy: -386.466
where: short stacking energy: -156.389
Base-Backbone interact. energy: -1.849
local terms energy: -160.939837
where:
bonds (distance) C4'-P energy: -25.503
bonds (distance) P-C4' energy: -32.407
flat angles C4'-P-C4' energy: -31.329
flat angles P-C4'-P energy: -22.925
tors. eta vs tors. theta energy: -48.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -548.256323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.256323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.256323 (E_RNA)
where:
Base-Base interactions energy: -395.594
where: short stacking energy: -158.355
Base-Backbone interact. energy: -0.495
local terms energy: -152.167375
where:
bonds (distance) C4'-P energy: -30.277
bonds (distance) P-C4' energy: -25.581
flat angles C4'-P-C4' energy: -31.924
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -45.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -542.953484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.953484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.953484 (E_RNA)
where:
Base-Base interactions energy: -391.212
where: short stacking energy: -154.153
Base-Backbone interact. energy: -0.647
local terms energy: -151.094624
where:
bonds (distance) C4'-P energy: -28.716
bonds (distance) P-C4' energy: -23.566
flat angles C4'-P-C4' energy: -31.570
flat angles P-C4'-P energy: -18.537
tors. eta vs tors. theta energy: -48.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -539.561437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.561437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.561437 (E_RNA)
where:
Base-Base interactions energy: -386.393
where: short stacking energy: -149.780
Base-Backbone interact. energy: -0.175
local terms energy: -152.994152
where:
bonds (distance) C4'-P energy: -25.749
bonds (distance) P-C4' energy: -26.958
flat angles C4'-P-C4' energy: -29.434
flat angles P-C4'-P energy: -25.409
tors. eta vs tors. theta energy: -45.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -525.199597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.199597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.199597 (E_RNA)
where:
Base-Base interactions energy: -384.106
where: short stacking energy: -145.354
Base-Backbone interact. energy: -1.649
local terms energy: -139.445175
where:
bonds (distance) C4'-P energy: -22.068
bonds (distance) P-C4' energy: -25.266
flat angles C4'-P-C4' energy: -27.717
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: -46.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -524.682416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.682416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.682416 (E_RNA)
where:
Base-Base interactions energy: -382.373
where: short stacking energy: -149.498
Base-Backbone interact. energy: -1.005
local terms energy: -141.304749
where:
bonds (distance) C4'-P energy: -20.970
bonds (distance) P-C4' energy: -27.266
flat angles C4'-P-C4' energy: -29.608
flat angles P-C4'-P energy: -19.989
tors. eta vs tors. theta energy: -43.472
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: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -512.417017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.417017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.417017 (E_RNA)
where:
Base-Base interactions energy: -381.037
where: short stacking energy: -143.763
Base-Backbone interact. energy: -0.182
local terms energy: -131.197676
where:
bonds (distance) C4'-P energy: -9.951
bonds (distance) P-C4' energy: -27.321
flat angles C4'-P-C4' energy: -31.072
flat angles P-C4'-P energy: -19.445
tors. eta vs tors. theta energy: -43.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -513.417843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.417843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.417843 (E_RNA)
where:
Base-Base interactions energy: -373.859
where: short stacking energy: -150.937
Base-Backbone interact. energy: -1.256
local terms energy: -138.303116
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -23.353
flat angles C4'-P-C4' energy: -26.309
flat angles P-C4'-P energy: -22.672
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: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -482.326486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.326486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.326486 (E_RNA)
where:
Base-Base interactions energy: -357.924
where: short stacking energy: -137.329
Base-Backbone interact. energy: 0.224
local terms energy: -124.625920
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -25.519
flat angles P-C4'-P energy: -20.741
tors. eta vs tors. theta energy: -45.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -571.092707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.092707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.092707 (E_RNA)
where:
Base-Base interactions energy: -411.877
where: short stacking energy: -163.391
Base-Backbone interact. energy: -0.756
local terms energy: -158.460030
where:
bonds (distance) C4'-P energy: -25.711
bonds (distance) P-C4' energy: -28.066
flat angles C4'-P-C4' energy: -34.434
flat angles P-C4'-P energy: -22.290
tors. eta vs tors. theta energy: -47.958
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: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -555.783186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.783186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.783186 (E_RNA)
where:
Base-Base interactions energy: -404.801
where: short stacking energy: -155.960
Base-Backbone interact. energy: -0.997
local terms energy: -149.985065
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -29.964
flat angles C4'-P-C4' energy: -28.637
flat angles P-C4'-P energy: -21.997
tors. eta vs tors. theta energy: -46.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -554.566805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.566805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.566805 (E_RNA)
where:
Base-Base interactions energy: -402.738
where: short stacking energy: -155.950
Base-Backbone interact. energy: -1.748
local terms energy: -150.080931
where:
bonds (distance) C4'-P energy: -27.526
bonds (distance) P-C4' energy: -30.403
flat angles C4'-P-C4' energy: -28.339
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -44.013
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: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -545.703394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.703394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.703394 (E_RNA)
where:
Base-Base interactions energy: -396.369
where: short stacking energy: -155.794
Base-Backbone interact. energy: -0.002
local terms energy: -149.332028
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -25.857
flat angles C4'-P-C4' energy: -30.443
flat angles P-C4'-P energy: -23.355
tors. eta vs tors. theta energy: -46.229
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: 456
Temperature: 1.100000
Total energy: -525.404373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.404373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.404373 (E_RNA)
where:
Base-Base interactions energy: -383.288
where: short stacking energy: -145.767
Base-Backbone interact. energy: -0.034
local terms energy: -142.082814
where:
bonds (distance) C4'-P energy: -19.939
bonds (distance) P-C4' energy: -30.313
flat angles C4'-P-C4' energy: -29.044
flat angles P-C4'-P energy: -19.688
tors. eta vs tors. theta energy: -43.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -531.832222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.832222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.832222 (E_RNA)
where:
Base-Base interactions energy: -384.312
where: short stacking energy: -148.918
Base-Backbone interact. energy: -0.183
local terms energy: -147.336864
where:
bonds (distance) C4'-P energy: -26.337
bonds (distance) P-C4' energy: -25.359
flat angles C4'-P-C4' energy: -32.350
flat angles P-C4'-P energy: -21.098
tors. eta vs tors. theta energy: -42.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -526.983802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.983802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.983802 (E_RNA)
where:
Base-Base interactions energy: -378.764
where: short stacking energy: -149.403
Base-Backbone interact. energy: -0.002
local terms energy: -148.218253
where:
bonds (distance) C4'-P energy: -26.904
bonds (distance) P-C4' energy: -25.346
flat angles C4'-P-C4' energy: -29.189
flat angles P-C4'-P energy: -19.914
tors. eta vs tors. theta energy: -46.865
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: 6
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -507.789306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.789306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.789306 (E_RNA)
where:
Base-Base interactions energy: -383.162
where: short stacking energy: -146.980
Base-Backbone interact. energy: 0.492
local terms energy: -125.119486
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -27.051
flat angles P-C4'-P energy: -22.666
tors. eta vs tors. theta energy: -44.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -490.824556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.824556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.824556 (E_RNA)
where:
Base-Base interactions energy: -363.135
where: short stacking energy: -144.482
Base-Backbone interact. energy: -0.756
local terms energy: -126.933679
where:
bonds (distance) C4'-P energy: -22.003
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -26.448
flat angles P-C4'-P energy: -17.543
tors. eta vs tors. theta energy: -40.870
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: 4
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -491.424724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.424724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.424724 (E_RNA)
where:
Base-Base interactions energy: -357.926
where: short stacking energy: -141.074
Base-Backbone interact. energy: -0.113
local terms energy: -133.385870
where:
bonds (distance) C4'-P energy: -23.837
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -29.651
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -40.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -563.657547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.657547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.657547 (E_RNA)
where:
Base-Base interactions energy: -398.936
where: short stacking energy: -160.508
Base-Backbone interact. energy: -0.124
local terms energy: -164.596913
where:
bonds (distance) C4'-P energy: -29.594
bonds (distance) P-C4' energy: -33.717
flat angles C4'-P-C4' energy: -31.258
flat angles P-C4'-P energy: -20.420
tors. eta vs tors. theta energy: -49.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -550.349024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.349024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.349024 (E_RNA)
where:
Base-Base interactions energy: -399.683
where: short stacking energy: -159.092
Base-Backbone interact. energy: -0.295
local terms energy: -150.370595
where:
bonds (distance) C4'-P energy: -24.465
bonds (distance) P-C4' energy: -23.896
flat angles C4'-P-C4' energy: -30.143
flat angles P-C4'-P energy: -23.931
tors. eta vs tors. theta energy: -47.936
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: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -556.550313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.550313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.550313 (E_RNA)
where:
Base-Base interactions energy: -405.935
where: short stacking energy: -163.599
Base-Backbone interact. energy: -0.468
local terms energy: -150.147739
where:
bonds (distance) C4'-P energy: -29.318
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -31.468
flat angles P-C4'-P energy: -20.277
tors. eta vs tors. theta energy: -44.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -538.470971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.470971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.470971 (E_RNA)
where:
Base-Base interactions energy: -386.670
where: short stacking energy: -148.534
Base-Backbone interact. energy: -0.723
local terms energy: -151.078506
where:
bonds (distance) C4'-P energy: -28.080
bonds (distance) P-C4' energy: -23.192
flat angles C4'-P-C4' energy: -28.335
flat angles P-C4'-P energy: -25.091
tors. eta vs tors. theta energy: -46.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -529.126849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.126849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.126849 (E_RNA)
where:
Base-Base interactions energy: -383.608
where: short stacking energy: -155.620
Base-Backbone interact. energy: -1.208
local terms energy: -144.310264
where:
bonds (distance) C4'-P energy: -22.241
bonds (distance) P-C4' energy: -20.230
flat angles C4'-P-C4' energy: -29.902
flat angles P-C4'-P energy: -25.762
tors. eta vs tors. theta energy: -46.176
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: 2
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -531.804410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.804410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.804410 (E_RNA)
where:
Base-Base interactions energy: -389.966
where: short stacking energy: -157.812
Base-Backbone interact. energy: -0.561
local terms energy: -141.277397
where:
bonds (distance) C4'-P energy: -24.124
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -29.069
flat angles P-C4'-P energy: -16.844
tors. eta vs tors. theta energy: -47.767
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: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -519.909905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.909905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.909905 (E_RNA)
where:
Base-Base interactions energy: -380.684
where: short stacking energy: -150.960
Base-Backbone interact. energy: -0.002
local terms energy: -139.224424
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -25.115
flat angles C4'-P-C4' energy: -30.100
flat angles P-C4'-P energy: -22.880
tors. eta vs tors. theta energy: -45.475
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: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -515.768738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.768738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.768738 (E_RNA)
where:
Base-Base interactions energy: -372.280
where: short stacking energy: -143.624
Base-Backbone interact. energy: -1.026
local terms energy: -142.462788
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -22.332
flat angles C4'-P-C4' energy: -32.415
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -43.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -510.026832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.026832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.026832 (E_RNA)
where:
Base-Base interactions energy: -386.741
where: short stacking energy: -159.022
Base-Backbone interact. energy: -0.087
local terms energy: -123.198683
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -27.670
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: -42.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -499.228700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.228700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.228700 (E_RNA)
where:
Base-Base interactions energy: -366.469
where: short stacking energy: -138.542
Base-Backbone interact. energy: -0.002
local terms energy: -132.757289
where:
bonds (distance) C4'-P energy: -25.558
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -25.004
flat angles P-C4'-P energy: -19.644
tors. eta vs tors. theta energy: -43.508
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: 9
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -564.926173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.926173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.926173 (E_RNA)
where:
Base-Base interactions energy: -410.195
where: short stacking energy: -161.609
Base-Backbone interact. energy: -1.065
local terms energy: -153.666239
where:
bonds (distance) C4'-P energy: -24.393
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -30.024
flat angles P-C4'-P energy: -27.106
tors. eta vs tors. theta energy: -47.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -544.085365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.085365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.085365 (E_RNA)
where:
Base-Base interactions energy: -392.929
where: short stacking energy: -151.679
Base-Backbone interact. energy: -0.514
local terms energy: -150.641774
where:
bonds (distance) C4'-P energy: -29.372
bonds (distance) P-C4' energy: -25.108
flat angles C4'-P-C4' energy: -29.925
flat angles P-C4'-P energy: -22.473
tors. eta vs tors. theta energy: -43.764
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: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -550.528989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.528989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.528989 (E_RNA)
where:
Base-Base interactions energy: -400.886
where: short stacking energy: -160.919
Base-Backbone interact. energy: -0.521
local terms energy: -149.122494
where:
bonds (distance) C4'-P energy: -22.384
bonds (distance) P-C4' energy: -27.920
flat angles C4'-P-C4' energy: -28.069
flat angles P-C4'-P energy: -22.467
tors. eta vs tors. theta energy: -48.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -541.835600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.835600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.835600 (E_RNA)
where:
Base-Base interactions energy: -399.012
where: short stacking energy: -158.192
Base-Backbone interact. energy: -0.123
local terms energy: -142.701262
where:
bonds (distance) C4'-P energy: -21.133
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -30.416
flat angles P-C4'-P energy: -19.343
tors. eta vs tors. theta energy: -48.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -529.699608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.699608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.699608 (E_RNA)
where:
Base-Base interactions energy: -384.629
where: short stacking energy: -144.065
Base-Backbone interact. energy: -0.038
local terms energy: -145.032440
where:
bonds (distance) C4'-P energy: -25.117
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -31.666
flat angles P-C4'-P energy: -23.045
tors. eta vs tors. theta energy: -44.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -524.698879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.698879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.698879 (E_RNA)
where:
Base-Base interactions energy: -380.374
where: short stacking energy: -147.327
Base-Backbone interact. energy: -0.446
local terms energy: -143.879119
where:
bonds (distance) C4'-P energy: -25.337
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -30.343
flat angles P-C4'-P energy: -17.547
tors. eta vs tors. theta energy: -48.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -518.152358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.152358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.152358 (E_RNA)
where:
Base-Base interactions energy: -375.479
where: short stacking energy: -137.578
Base-Backbone interact. energy: -1.327
local terms energy: -141.346312
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -26.938
flat angles C4'-P-C4' energy: -31.926
flat angles P-C4'-P energy: -17.722
tors. eta vs tors. theta energy: -41.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -507.797541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.797541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.797541 (E_RNA)
where:
Base-Base interactions energy: -372.684
where: short stacking energy: -144.350
Base-Backbone interact. energy: -0.280
local terms energy: -134.833670
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -26.103
flat angles C4'-P-C4' energy: -29.654
flat angles P-C4'-P energy: -16.132
tors. eta vs tors. theta energy: -45.117
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: 9, replica: 4
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -495.963865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.963865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.963865 (E_RNA)
where:
Base-Base interactions energy: -360.755
where: short stacking energy: -138.601
Base-Backbone interact. energy: -0.007
local terms energy: -135.201559
where:
bonds (distance) C4'-P energy: -23.932
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -25.574
flat angles P-C4'-P energy: -23.182
tors. eta vs tors. theta energy: -39.627
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: 6
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -479.121680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.121680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.121680 (E_RNA)
where:
Base-Base interactions energy: -349.105
where: short stacking energy: -129.401
Base-Backbone interact. energy: -0.001
local terms energy: -130.015560
where:
bonds (distance) C4'-P energy: -23.297
bonds (distance) P-C4' energy: -26.936
flat angles C4'-P-C4' energy: -26.737
flat angles P-C4'-P energy: -10.348
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: 1, replica: 9
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -566.857556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.857556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.857556 (E_RNA)
where:
Base-Base interactions energy: -397.912
where: short stacking energy: -156.716
Base-Backbone interact. energy: -0.940
local terms energy: -168.005928
where:
bonds (distance) C4'-P energy: -27.894
bonds (distance) P-C4' energy: -29.655
flat angles C4'-P-C4' energy: -36.758
flat angles P-C4'-P energy: -26.244
tors. eta vs tors. theta energy: -47.455
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: 7
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -559.808086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.808086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.808086 (E_RNA)
where:
Base-Base interactions energy: -408.545
where: short stacking energy: -161.239
Base-Backbone interact. energy: -0.158
local terms energy: -151.105734
where:
bonds (distance) C4'-P energy: -24.496
bonds (distance) P-C4' energy: -27.938
flat angles C4'-P-C4' energy: -29.620
flat angles P-C4'-P energy: -22.324
tors. eta vs tors. theta energy: -46.728
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: 1
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -552.453120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.453120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.453120 (E_RNA)
where:
Base-Base interactions energy: -398.847
where: short stacking energy: -159.776
Base-Backbone interact. energy: -0.590
local terms energy: -153.016140
where:
bonds (distance) C4'-P energy: -26.119
bonds (distance) P-C4' energy: -25.306
flat angles C4'-P-C4' energy: -31.805
flat angles P-C4'-P energy: -21.491
tors. eta vs tors. theta energy: -48.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -549.863619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.863619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.863619 (E_RNA)
where:
Base-Base interactions energy: -402.209
where: short stacking energy: -155.924
Base-Backbone interact. energy: 0.055
local terms energy: -147.709290
where:
bonds (distance) C4'-P energy: -25.398
bonds (distance) P-C4' energy: -27.819
flat angles C4'-P-C4' energy: -27.590
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -47.335
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: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -530.806822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.806822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.806822 (E_RNA)
where:
Base-Base interactions energy: -383.728
where: short stacking energy: -147.049
Base-Backbone interact. energy: -0.949
local terms energy: -146.130042
where:
bonds (distance) C4'-P energy: -27.793
bonds (distance) P-C4' energy: -23.198
flat angles C4'-P-C4' energy: -28.303
flat angles P-C4'-P energy: -19.723
tors. eta vs tors. theta energy: -47.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -528.886727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.886727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.886727 (E_RNA)
where:
Base-Base interactions energy: -383.408
where: short stacking energy: -146.594
Base-Backbone interact. energy: -0.008
local terms energy: -145.471024
where:
bonds (distance) C4'-P energy: -24.002
bonds (distance) P-C4' energy: -25.684
flat angles C4'-P-C4' energy: -28.838
flat angles P-C4'-P energy: -22.187
tors. eta vs tors. theta energy: -44.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -522.501183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.501183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.501183 (E_RNA)
where:
Base-Base interactions energy: -388.166
where: short stacking energy: -146.736
Base-Backbone interact. energy: -1.978
local terms energy: -132.357761
where:
bonds (distance) C4'-P energy: -21.455
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -23.845
flat angles P-C4'-P energy: -22.482
tors. eta vs tors. theta energy: -46.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -508.551955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.551955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.551955 (E_RNA)
where:
Base-Base interactions energy: -375.765
where: short stacking energy: -144.296
Base-Backbone interact. energy: -0.878
local terms energy: -131.908407
where:
bonds (distance) C4'-P energy: -23.763
bonds (distance) P-C4' energy: -21.094
flat angles C4'-P-C4' energy: -30.501
flat angles P-C4'-P energy: -18.568
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: 9, replica: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -484.225292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.225292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.225292 (E_RNA)
where:
Base-Base interactions energy: -365.530
where: short stacking energy: -147.643
Base-Backbone interact. energy: -0.471
local terms energy: -118.223535
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -20.328
tors. eta vs tors. theta energy: -44.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -501.873271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.873271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.873271 (E_RNA)
where:
Base-Base interactions energy: -363.210
where: short stacking energy: -139.916
Base-Backbone interact. energy: -0.002
local terms energy: -138.660860
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -27.409
flat angles C4'-P-C4' energy: -28.082
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -44.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -563.495616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.495616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.495616 (E_RNA)
where:
Base-Base interactions energy: -403.234
where: short stacking energy: -162.193
Base-Backbone interact. energy: -0.243
local terms energy: -160.018885
where:
bonds (distance) C4'-P energy: -28.419
bonds (distance) P-C4' energy: -29.196
flat angles C4'-P-C4' energy: -31.320
flat angles P-C4'-P energy: -22.509
tors. eta vs tors. theta energy: -48.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -562.835422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.835422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.835422 (E_RNA)
where:
Base-Base interactions energy: -407.660
where: short stacking energy: -159.595
Base-Backbone interact. energy: -0.142
local terms energy: -155.033662
where:
bonds (distance) C4'-P energy: -30.173
bonds (distance) P-C4' energy: -28.706
flat angles C4'-P-C4' energy: -30.300
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -45.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -542.896206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.896206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.896206 (E_RNA)
where:
Base-Base interactions energy: -396.081
where: short stacking energy: -154.146
Base-Backbone interact. energy: -0.001
local terms energy: -146.813779
where:
bonds (distance) C4'-P energy: -28.395
bonds (distance) P-C4' energy: -24.546
flat angles C4'-P-C4' energy: -27.432
flat angles P-C4'-P energy: -22.238
tors. eta vs tors. theta energy: -44.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -540.630381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.630381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.630381 (E_RNA)
where:
Base-Base interactions energy: -393.416
where: short stacking energy: -148.918
Base-Backbone interact. energy: -0.447
local terms energy: -146.766858
where:
bonds (distance) C4'-P energy: -24.270
bonds (distance) P-C4' energy: -24.864
flat angles C4'-P-C4' energy: -28.734
flat angles P-C4'-P energy: -22.997
tors. eta vs tors. theta energy: -45.902
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: 3
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -531.848745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.848745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.848745 (E_RNA)
where:
Base-Base interactions energy: -388.585
where: short stacking energy: -148.347
Base-Backbone interact. energy: -0.966
local terms energy: -142.297493
where:
bonds (distance) C4'-P energy: -22.699
bonds (distance) P-C4' energy: -29.006
flat angles C4'-P-C4' energy: -24.887
flat angles P-C4'-P energy: -18.349
tors. eta vs tors. theta energy: -47.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -498.770609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.770609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.770609 (E_RNA)
where:
Base-Base interactions energy: -355.960
where: short stacking energy: -138.948
Base-Backbone interact. energy: -0.485
local terms energy: -142.325250
where:
bonds (distance) C4'-P energy: -25.664
bonds (distance) P-C4' energy: -28.634
flat angles C4'-P-C4' energy: -27.217
flat angles P-C4'-P energy: -18.648
tors. eta vs tors. theta energy: -42.164
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: 5
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -533.165218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.165218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.165218 (E_RNA)
where:
Base-Base interactions energy: -394.858
where: short stacking energy: -155.607
Base-Backbone interact. energy: -1.786
local terms energy: -136.521518
where:
bonds (distance) C4'-P energy: -23.609
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -26.879
flat angles P-C4'-P energy: -23.249
tors. eta vs tors. theta energy: -47.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -515.113176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.113176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.113176 (E_RNA)
where:
Base-Base interactions energy: -378.335
where: short stacking energy: -143.071
Base-Backbone interact. energy: -1.539
local terms energy: -135.239438
where:
bonds (distance) C4'-P energy: -27.930
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -26.506
flat angles P-C4'-P energy: -14.758
tors. eta vs tors. theta energy: -43.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -506.801952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.801952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.801952 (E_RNA)
where:
Base-Base interactions energy: -375.335
where: short stacking energy: -145.357
Base-Backbone interact. energy: -0.005
local terms energy: -131.461999
where:
bonds (distance) C4'-P energy: -21.276
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -29.208
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -45.986
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: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -488.629910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.629910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.629910 (E_RNA)
where:
Base-Base interactions energy: -369.868
where: short stacking energy: -140.092
Base-Backbone interact. energy: -0.060
local terms energy: -118.701948
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -20.114
flat angles C4'-P-C4' energy: -26.030
flat angles P-C4'-P energy: -19.465
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: 1, replica: 9
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -558.700815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.700815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.700815 (E_RNA)
where:
Base-Base interactions energy: -398.310
where: short stacking energy: -152.344
Base-Backbone interact. energy: -2.169
local terms energy: -158.221944
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -31.389
flat angles C4'-P-C4' energy: -32.190
flat angles P-C4'-P energy: -26.116
tors. eta vs tors. theta energy: -48.930
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: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -551.217576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.217576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.217576 (E_RNA)
where:
Base-Base interactions energy: -400.235
where: short stacking energy: -152.294
Base-Backbone interact. energy: -0.716
local terms energy: -150.266485
where:
bonds (distance) C4'-P energy: -30.920
bonds (distance) P-C4' energy: -25.113
flat angles C4'-P-C4' energy: -28.839
flat angles P-C4'-P energy: -19.567
tors. eta vs tors. theta energy: -45.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -555.187731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.187731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.187731 (E_RNA)
where:
Base-Base interactions energy: -404.153
where: short stacking energy: -154.641
Base-Backbone interact. energy: -0.370
local terms energy: -150.664967
where:
bonds (distance) C4'-P energy: -26.400
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -29.231
flat angles P-C4'-P energy: -25.537
tors. eta vs tors. theta energy: -48.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -536.991288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.991288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.991288 (E_RNA)
where:
Base-Base interactions energy: -384.273
where: short stacking energy: -148.073
Base-Backbone interact. energy: -1.642
local terms energy: -151.076649
where:
bonds (distance) C4'-P energy: -25.014
bonds (distance) P-C4' energy: -25.356
flat angles C4'-P-C4' energy: -32.155
flat angles P-C4'-P energy: -21.007
tors. eta vs tors. theta energy: -47.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -534.519036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.519036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.519036 (E_RNA)
where:
Base-Base interactions energy: -390.044
where: short stacking energy: -157.304
Base-Backbone interact. energy: -0.390
local terms energy: -144.084071
where:
bonds (distance) C4'-P energy: -23.772
bonds (distance) P-C4' energy: -24.078
flat angles C4'-P-C4' energy: -31.111
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -47.524
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: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -516.530680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.530680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.530680 (E_RNA)
where:
Base-Base interactions energy: -383.382
where: short stacking energy: -148.686
Base-Backbone interact. energy: -1.240
local terms energy: -131.909214
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -20.409
flat angles C4'-P-C4' energy: -27.463
flat angles P-C4'-P energy: -19.589
tors. eta vs tors. theta energy: -43.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -516.987644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.987644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.987644 (E_RNA)
where:
Base-Base interactions energy: -378.856
where: short stacking energy: -151.973
Base-Backbone interact. energy: -0.004
local terms energy: -138.127793
where:
bonds (distance) C4'-P energy: -30.779
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -27.912
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -44.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -515.496247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.496247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.496247 (E_RNA)
where:
Base-Base interactions energy: -372.759
where: short stacking energy: -140.739
Base-Backbone interact. energy: 0.709
local terms energy: -143.446346
where:
bonds (distance) C4'-P energy: -25.980
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -30.951
flat angles P-C4'-P energy: -19.327
tors. eta vs tors. theta energy: -43.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -513.141158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.141158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.141158 (E_RNA)
where:
Base-Base interactions energy: -378.889
where: short stacking energy: -145.893
Base-Backbone interact. energy: -0.172
local terms energy: -134.080321
where:
bonds (distance) C4'-P energy: -26.284
bonds (distance) P-C4' energy: -23.682
flat angles C4'-P-C4' energy: -28.108
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -44.125
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: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -482.646873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.646873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.646873 (E_RNA)
where:
Base-Base interactions energy: -366.877
where: short stacking energy: -135.362
Base-Backbone interact. energy: 0.156
local terms energy: -115.926116
where:
bonds (distance) C4'-P energy: -23.061
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -29.771
flat angles P-C4'-P energy: -7.824
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: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -574.374578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.374578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.374578 (E_RNA)
where:
Base-Base interactions energy: -418.316
where: short stacking energy: -168.440
Base-Backbone interact. energy: -0.125
local terms energy: -155.933677
where:
bonds (distance) C4'-P energy: -29.198
bonds (distance) P-C4' energy: -27.321
flat angles C4'-P-C4' energy: -31.382
flat angles P-C4'-P energy: -20.090
tors. eta vs tors. theta energy: -47.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -557.382137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.382137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.382137 (E_RNA)
where:
Base-Base interactions energy: -405.088
where: short stacking energy: -155.073
Base-Backbone interact. energy: -1.018
local terms energy: -151.275969
where:
bonds (distance) C4'-P energy: -26.473
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -31.346
flat angles P-C4'-P energy: -26.180
tors. eta vs tors. theta energy: -46.363
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: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -552.810453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.810453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.810453 (E_RNA)
where:
Base-Base interactions energy: -395.279
where: short stacking energy: -154.003
Base-Backbone interact. energy: -2.440
local terms energy: -155.091377
where:
bonds (distance) C4'-P energy: -24.932
bonds (distance) P-C4' energy: -29.142
flat angles C4'-P-C4' energy: -28.293
flat angles P-C4'-P energy: -25.975
tors. eta vs tors. theta energy: -46.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -541.219336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.219336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.219336 (E_RNA)
where:
Base-Base interactions energy: -385.477
where: short stacking energy: -141.816
Base-Backbone interact. energy: -2.413
local terms energy: -153.329984
where:
bonds (distance) C4'-P energy: -26.466
bonds (distance) P-C4' energy: -27.403
flat angles C4'-P-C4' energy: -29.858
flat angles P-C4'-P energy: -25.127
tors. eta vs tors. theta energy: -44.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -533.291369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.291369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.291369 (E_RNA)
where:
Base-Base interactions energy: -382.029
where: short stacking energy: -152.433
Base-Backbone interact. energy: -0.538
local terms energy: -150.724316
where:
bonds (distance) C4'-P energy: -27.176
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -33.288
flat angles P-C4'-P energy: -22.293
tors. eta vs tors. theta energy: -46.609
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: 1
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -533.115554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.115554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.115554 (E_RNA)
where:
Base-Base interactions energy: -386.519
where: short stacking energy: -149.646
Base-Backbone interact. energy: -0.255
local terms energy: -146.341451
where:
bonds (distance) C4'-P energy: -28.053
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -27.474
flat angles P-C4'-P energy: -19.373
tors. eta vs tors. theta energy: -44.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -521.715836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.715836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.715836 (E_RNA)
where:
Base-Base interactions energy: -379.063
where: short stacking energy: -149.761
Base-Backbone interact. energy: -0.641
local terms energy: -142.012417
where:
bonds (distance) C4'-P energy: -23.788
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -31.964
flat angles P-C4'-P energy: -21.231
tors. eta vs tors. theta energy: -43.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -515.691825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.691825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.691825 (E_RNA)
where:
Base-Base interactions energy: -377.361
where: short stacking energy: -143.906
Base-Backbone interact. energy: -0.125
local terms energy: -138.205364
where:
bonds (distance) C4'-P energy: -25.136
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -28.886
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -45.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -499.555210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.555210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.555210 (E_RNA)
where:
Base-Base interactions energy: -369.211
where: short stacking energy: -142.666
Base-Backbone interact. energy: -0.814
local terms energy: -129.529546
where:
bonds (distance) C4'-P energy: -23.923
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -25.442
flat angles P-C4'-P energy: -19.037
tors. eta vs tors. theta energy: -43.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -496.969905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.969905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.969905 (E_RNA)
where:
Base-Base interactions energy: -366.780
where: short stacking energy: -138.668
Base-Backbone interact. energy: -0.453
local terms energy: -129.736311
where:
bonds (distance) C4'-P energy: -22.010
bonds (distance) P-C4' energy: -29.428
flat angles C4'-P-C4' energy: -27.377
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -41.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -564.983842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.983842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.983842 (E_RNA)
where:
Base-Base interactions energy: -397.777
where: short stacking energy: -156.970
Base-Backbone interact. energy: -1.829
local terms energy: -165.377433
where:
bonds (distance) C4'-P energy: -33.169
bonds (distance) P-C4' energy: -28.336
flat angles C4'-P-C4' energy: -28.911
flat angles P-C4'-P energy: -27.934
tors. eta vs tors. theta energy: -47.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -557.933996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.933996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.933996 (E_RNA)
where:
Base-Base interactions energy: -395.277
where: short stacking energy: -156.954
Base-Backbone interact. energy: -0.003
local terms energy: -162.654301
where:
bonds (distance) C4'-P energy: -30.874
bonds (distance) P-C4' energy: -31.432
flat angles C4'-P-C4' energy: -32.221
flat angles P-C4'-P energy: -20.179
tors. eta vs tors. theta energy: -47.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -548.497666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.497666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.497666 (E_RNA)
where:
Base-Base interactions energy: -388.135
where: short stacking energy: -150.228
Base-Backbone interact. energy: -1.191
local terms energy: -159.171641
where:
bonds (distance) C4'-P energy: -31.007
bonds (distance) P-C4' energy: -28.080
flat angles C4'-P-C4' energy: -33.177
flat angles P-C4'-P energy: -19.133
tors. eta vs tors. theta energy: -47.775
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: 3
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -544.003325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.003325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.003325 (E_RNA)
where:
Base-Base interactions energy: -395.960
where: short stacking energy: -158.256
Base-Backbone interact. energy: -0.558
local terms energy: -147.485495
where:
bonds (distance) C4'-P energy: -27.513
bonds (distance) P-C4' energy: -27.051
flat angles C4'-P-C4' energy: -23.020
flat angles P-C4'-P energy: -21.576
tors. eta vs tors. theta energy: -48.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -533.520862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.520862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.520862 (E_RNA)
where:
Base-Base interactions energy: -390.629
where: short stacking energy: -151.034
Base-Backbone interact. energy: -1.377
local terms energy: -141.514354
where:
bonds (distance) C4'-P energy: -24.044
bonds (distance) P-C4' energy: -18.881
flat angles C4'-P-C4' energy: -28.499
flat angles P-C4'-P energy: -21.455
tors. eta vs tors. theta energy: -48.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -531.271467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.271467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.271467 (E_RNA)
where:
Base-Base interactions energy: -393.930
where: short stacking energy: -157.170
Base-Backbone interact. energy: -0.422
local terms energy: -136.919592
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -32.238
flat angles P-C4'-P energy: -18.046
tors. eta vs tors. theta energy: -47.189
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: 4
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -517.354875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.354875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.354875 (E_RNA)
where:
Base-Base interactions energy: -382.034
where: short stacking energy: -143.615
Base-Backbone interact. energy: 0.240
local terms energy: -135.560504
where:
bonds (distance) C4'-P energy: -23.020
bonds (distance) P-C4' energy: -30.866
flat angles C4'-P-C4' energy: -23.298
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -41.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -513.106240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.106240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.106240 (E_RNA)
where:
Base-Base interactions energy: -374.749
where: short stacking energy: -144.551
Base-Backbone interact. energy: -1.272
local terms energy: -137.084397
where:
bonds (distance) C4'-P energy: -24.102
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -25.937
flat angles P-C4'-P energy: -22.812
tors. eta vs tors. theta energy: -42.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -506.241964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.241964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.241964 (E_RNA)
where:
Base-Base interactions energy: -376.287
where: short stacking energy: -145.168
Base-Backbone interact. energy: 0.236
local terms energy: -130.190868
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -26.471
flat angles P-C4'-P energy: -22.676
tors. eta vs tors. theta energy: -44.596
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: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -502.807557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.807557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.807557 (E_RNA)
where:
Base-Base interactions energy: -370.106
where: short stacking energy: -144.311
Base-Backbone interact. energy: -0.133
local terms energy: -132.568265
where:
bonds (distance) C4'-P energy: -23.419
bonds (distance) P-C4' energy: -25.343
flat angles C4'-P-C4' energy: -25.706
flat angles P-C4'-P energy: -16.882
tors. eta vs tors. theta energy: -41.219
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: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -568.893349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.893349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.893349 (E_RNA)
where:
Base-Base interactions energy: -409.778
where: short stacking energy: -160.291
Base-Backbone interact. energy: -0.404
local terms energy: -158.711076
where:
bonds (distance) C4'-P energy: -25.449
bonds (distance) P-C4' energy: -29.773
flat angles C4'-P-C4' energy: -31.974
flat angles P-C4'-P energy: -24.609
tors. eta vs tors. theta energy: -46.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -554.622266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.622266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.622266 (E_RNA)
where:
Base-Base interactions energy: -401.834
where: short stacking energy: -158.528
Base-Backbone interact. energy: -0.912
local terms energy: -151.876833
where:
bonds (distance) C4'-P energy: -27.620
bonds (distance) P-C4' energy: -29.622
flat angles C4'-P-C4' energy: -31.388
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -45.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -556.986617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.986617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.986617 (E_RNA)
where:
Base-Base interactions energy: -396.364
where: short stacking energy: -157.059
Base-Backbone interact. energy: 0.103
local terms energy: -160.724938
where:
bonds (distance) C4'-P energy: -27.631
bonds (distance) P-C4' energy: -30.106
flat angles C4'-P-C4' energy: -30.828
flat angles P-C4'-P energy: -24.463
tors. eta vs tors. theta energy: -47.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -542.009090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.009090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.009090 (E_RNA)
where:
Base-Base interactions energy: -388.826
where: short stacking energy: -150.934
Base-Backbone interact. energy: -0.657
local terms energy: -152.525920
where:
bonds (distance) C4'-P energy: -29.148
bonds (distance) P-C4' energy: -24.846
flat angles C4'-P-C4' energy: -30.869
flat angles P-C4'-P energy: -24.255
tors. eta vs tors. theta energy: -43.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -535.024817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.024817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.024817 (E_RNA)
where:
Base-Base interactions energy: -393.988
where: short stacking energy: -153.743
Base-Backbone interact. energy: -1.520
local terms energy: -139.516883
where:
bonds (distance) C4'-P energy: -23.059
bonds (distance) P-C4' energy: -25.032
flat angles C4'-P-C4' energy: -27.398
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -44.193
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: 464
Temperature: 1.150000
Total energy: -531.386603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.386603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.386603 (E_RNA)
where:
Base-Base interactions energy: -379.286
where: short stacking energy: -146.088
Base-Backbone interact. energy: -0.983
local terms energy: -151.117705
where:
bonds (distance) C4'-P energy: -23.729
bonds (distance) P-C4' energy: -29.526
flat angles C4'-P-C4' energy: -30.484
flat angles P-C4'-P energy: -20.641
tors. eta vs tors. theta energy: -46.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -527.900324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.900324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.900324 (E_RNA)
where:
Base-Base interactions energy: -387.007
where: short stacking energy: -151.582
Base-Backbone interact. energy: 0.397
local terms energy: -141.290247
where:
bonds (distance) C4'-P energy: -21.428
bonds (distance) P-C4' energy: -22.743
flat angles C4'-P-C4' energy: -28.523
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: -49.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -514.509714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.509714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.509714 (E_RNA)
where:
Base-Base interactions energy: -373.346
where: short stacking energy: -141.389
Base-Backbone interact. energy: -0.400
local terms energy: -140.763052
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -24.361
flat angles C4'-P-C4' energy: -29.317
flat angles P-C4'-P energy: -21.131
tors. eta vs tors. theta energy: -41.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -516.467674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.467674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.467674 (E_RNA)
where:
Base-Base interactions energy: -382.969
where: short stacking energy: -146.577
Base-Backbone interact. energy: -0.423
local terms energy: -133.075994
where:
bonds (distance) C4'-P energy: -27.330
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -29.556
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -44.620
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: 10, replica: 5
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -487.529914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.529914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.529914 (E_RNA)
where:
Base-Base interactions energy: -357.558
where: short stacking energy: -136.191
Base-Backbone interact. energy: -0.015
local terms energy: -129.956233
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -23.423
flat angles C4'-P-C4' energy: -28.028
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: -44.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -569.308562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.308562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.308562 (E_RNA)
where:
Base-Base interactions energy: -407.295
where: short stacking energy: -161.946
Base-Backbone interact. energy: -0.213
local terms energy: -161.800382
where:
bonds (distance) C4'-P energy: -30.174
bonds (distance) P-C4' energy: -28.356
flat angles C4'-P-C4' energy: -30.922
flat angles P-C4'-P energy: -24.747
tors. eta vs tors. theta energy: -47.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -556.056908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.056908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.056908 (E_RNA)
where:
Base-Base interactions energy: -406.270
where: short stacking energy: -157.477
Base-Backbone interact. energy: -1.006
local terms energy: -148.781067
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -31.527
flat angles C4'-P-C4' energy: -30.223
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -48.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -543.714816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.714816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.714816 (E_RNA)
where:
Base-Base interactions energy: -394.585
where: short stacking energy: -159.330
Base-Backbone interact. energy: -0.307
local terms energy: -148.823006
where:
bonds (distance) C4'-P energy: -26.770
bonds (distance) P-C4' energy: -24.966
flat angles C4'-P-C4' energy: -28.179
flat angles P-C4'-P energy: -23.428
tors. eta vs tors. theta energy: -45.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -548.676384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.676384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.676384 (E_RNA)
where:
Base-Base interactions energy: -400.156
where: short stacking energy: -154.664
Base-Backbone interact. energy: -1.579
local terms energy: -146.940849
where:
bonds (distance) C4'-P energy: -24.283
bonds (distance) P-C4' energy: -26.703
flat angles C4'-P-C4' energy: -31.006
flat angles P-C4'-P energy: -21.300
tors. eta vs tors. theta energy: -43.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -537.860459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.860459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.860459 (E_RNA)
where:
Base-Base interactions energy: -394.189
where: short stacking energy: -155.083
Base-Backbone interact. energy: -0.243
local terms energy: -143.428038
where:
bonds (distance) C4'-P energy: -27.565
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -29.206
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -48.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -517.110959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.110959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.110959 (E_RNA)
where:
Base-Base interactions energy: -379.875
where: short stacking energy: -140.524
Base-Backbone interact. energy: -0.691
local terms energy: -136.545271
where:
bonds (distance) C4'-P energy: -24.261
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -31.749
flat angles P-C4'-P energy: -22.418
tors. eta vs tors. theta energy: -40.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -513.153531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.153531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.153531 (E_RNA)
where:
Base-Base interactions energy: -374.386
where: short stacking energy: -150.828
Base-Backbone interact. energy: -0.431
local terms energy: -138.336943
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -24.033
flat angles C4'-P-C4' energy: -33.481
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -44.611
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: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -502.420961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.420961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.420961 (E_RNA)
where:
Base-Base interactions energy: -371.275
where: short stacking energy: -142.112
Base-Backbone interact. energy: -0.091
local terms energy: -131.055336
where:
bonds (distance) C4'-P energy: -26.121
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -27.995
flat angles P-C4'-P energy: -19.616
tors. eta vs tors. theta energy: -42.563
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: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -511.093577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.093577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.093577 (E_RNA)
where:
Base-Base interactions energy: -381.548
where: short stacking energy: -147.495
Base-Backbone interact. energy: -0.422
local terms energy: -129.122870
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -21.368
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -47.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -486.504572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.504572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.504572 (E_RNA)
where:
Base-Base interactions energy: -352.926
where: short stacking energy: -140.972
Base-Backbone interact. energy: -0.446
local terms energy: -133.132548
where:
bonds (distance) C4'-P energy: -23.846
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -25.262
tors. eta vs tors. theta energy: -42.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -568.486041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.486041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.486041 (E_RNA)
where:
Base-Base interactions energy: -408.590
where: short stacking energy: -159.872
Base-Backbone interact. energy: -0.429
local terms energy: -159.466674
where:
bonds (distance) C4'-P energy: -29.280
bonds (distance) P-C4' energy: -29.835
flat angles C4'-P-C4' energy: -31.018
flat angles P-C4'-P energy: -23.283
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: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -553.226266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.226266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.226266 (E_RNA)
where:
Base-Base interactions energy: -404.006
where: short stacking energy: -154.254
Base-Backbone interact. energy: -1.479
local terms energy: -147.741873
where:
bonds (distance) C4'-P energy: -28.878
bonds (distance) P-C4' energy: -23.581
flat angles C4'-P-C4' energy: -29.455
flat angles P-C4'-P energy: -21.609
tors. eta vs tors. theta energy: -44.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -551.254655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.254655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.254655 (E_RNA)
where:
Base-Base interactions energy: -398.855
where: short stacking energy: -155.350
Base-Backbone interact. energy: -1.079
local terms energy: -151.320095
where:
bonds (distance) C4'-P energy: -30.725
bonds (distance) P-C4' energy: -23.296
flat angles C4'-P-C4' energy: -31.964
flat angles P-C4'-P energy: -20.925
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: 4, replica: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -544.958479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.958479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.958479 (E_RNA)
where:
Base-Base interactions energy: -391.438
where: short stacking energy: -154.010
Base-Backbone interact. energy: -0.695
local terms energy: -152.825935
where:
bonds (distance) C4'-P energy: -25.757
bonds (distance) P-C4' energy: -26.349
flat angles C4'-P-C4' energy: -27.806
flat angles P-C4'-P energy: -26.222
tors. eta vs tors. theta energy: -46.692
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: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -542.441831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.441831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.441831 (E_RNA)
where:
Base-Base interactions energy: -395.537
where: short stacking energy: -157.224
Base-Backbone interact. energy: -0.004
local terms energy: -146.900883
where:
bonds (distance) C4'-P energy: -23.057
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -30.566
flat angles P-C4'-P energy: -25.344
tors. eta vs tors. theta energy: -46.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -521.342954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.342954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.342954 (E_RNA)
where:
Base-Base interactions energy: -388.480
where: short stacking energy: -151.807
Base-Backbone interact. energy: -0.265
local terms energy: -132.598385
where:
bonds (distance) C4'-P energy: -23.545
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -23.144
flat angles P-C4'-P energy: -18.519
tors. eta vs tors. theta energy: -47.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -520.175277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.175277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.175277 (E_RNA)
where:
Base-Base interactions energy: -379.484
where: short stacking energy: -147.705
Base-Backbone interact. energy: -0.513
local terms energy: -140.178860
where:
bonds (distance) C4'-P energy: -24.915
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -28.547
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -46.672
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: 8, replica: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -501.437639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.437639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.437639 (E_RNA)
where:
Base-Base interactions energy: -370.539
where: short stacking energy: -141.511
Base-Backbone interact. energy: -0.398
local terms energy: -130.500316
where:
bonds (distance) C4'-P energy: -24.743
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -27.611
flat angles P-C4'-P energy: -16.957
tors. eta vs tors. theta energy: -42.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -513.999088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.999088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.999088 (E_RNA)
where:
Base-Base interactions energy: -375.094
where: short stacking energy: -148.070
Base-Backbone interact. energy: -0.044
local terms energy: -138.860687
where:
bonds (distance) C4'-P energy: -22.085
bonds (distance) P-C4' energy: -28.861
flat angles C4'-P-C4' energy: -29.200
flat angles P-C4'-P energy: -17.628
tors. eta vs tors. theta energy: -41.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -480.310771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.310771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.310771 (E_RNA)
where:
Base-Base interactions energy: -358.928
where: short stacking energy: -134.562
Base-Backbone interact. energy: -0.934
local terms energy: -120.448342
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -26.961
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -41.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -559.741586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.741586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.741586 (E_RNA)
where:
Base-Base interactions energy: -403.619
where: short stacking energy: -155.808
Base-Backbone interact. energy: -1.821
local terms energy: -154.301130
where:
bonds (distance) C4'-P energy: -24.857
bonds (distance) P-C4' energy: -27.957
flat angles C4'-P-C4' energy: -30.480
flat angles P-C4'-P energy: -23.575
tors. eta vs tors. theta energy: -47.432
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: 2, replica: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -555.193805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.193805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.193805 (E_RNA)
where:
Base-Base interactions energy: -404.955
where: short stacking energy: -160.719
Base-Backbone interact. energy: -0.400
local terms energy: -149.838670
where:
bonds (distance) C4'-P energy: -22.880
bonds (distance) P-C4' energy: -27.953
flat angles C4'-P-C4' energy: -29.918
flat angles P-C4'-P energy: -22.243
tors. eta vs tors. theta energy: -46.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -547.214048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.214048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.214048 (E_RNA)
where:
Base-Base interactions energy: -392.896
where: short stacking energy: -156.220
Base-Backbone interact. energy: -1.212
local terms energy: -153.106306
where:
bonds (distance) C4'-P energy: -28.031
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -31.866
flat angles P-C4'-P energy: -24.674
tors. eta vs tors. theta energy: -48.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -539.460821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.460821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.460821 (E_RNA)
where:
Base-Base interactions energy: -389.036
where: short stacking energy: -154.159
Base-Backbone interact. energy: -0.009
local terms energy: -150.415269
where:
bonds (distance) C4'-P energy: -24.702
bonds (distance) P-C4' energy: -28.099
flat angles C4'-P-C4' energy: -28.775
flat angles P-C4'-P energy: -23.062
tors. eta vs tors. theta energy: -45.778
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: 5, replica: 9
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -531.322591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.322591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.322591 (E_RNA)
where:
Base-Base interactions energy: -384.322
where: short stacking energy: -150.824
Base-Backbone interact. energy: -0.007
local terms energy: -146.992883
where:
bonds (distance) C4'-P energy: -26.971
bonds (distance) P-C4' energy: -29.049
flat angles C4'-P-C4' energy: -24.718
flat angles P-C4'-P energy: -20.320
tors. eta vs tors. theta energy: -45.935
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: 8
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -530.507854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.507854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.507854 (E_RNA)
where:
Base-Base interactions energy: -381.426
where: short stacking energy: -148.699
Base-Backbone interact. energy: -1.167
local terms energy: -147.914416
where:
bonds (distance) C4'-P energy: -27.893
bonds (distance) P-C4' energy: -25.959
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -15.394
tors. eta vs tors. theta energy: -46.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -526.490000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.490000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.490000 (E_RNA)
where:
Base-Base interactions energy: -388.582
where: short stacking energy: -153.737
Base-Backbone interact. energy: -1.022
local terms energy: -136.885720
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -27.070
flat angles C4'-P-C4' energy: -29.837
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: -44.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -510.732143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.732143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.732143 (E_RNA)
where:
Base-Base interactions energy: -376.008
where: short stacking energy: -151.170
Base-Backbone interact. energy: -0.022
local terms energy: -134.702067
where:
bonds (distance) C4'-P energy: -22.374
bonds (distance) P-C4' energy: -21.026
flat angles C4'-P-C4' energy: -28.708
flat angles P-C4'-P energy: -17.182
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: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -507.722220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.722220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.722220 (E_RNA)
where:
Base-Base interactions energy: -380.625
where: short stacking energy: -149.124
Base-Backbone interact. energy: -0.009
local terms energy: -127.087880
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -24.077
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -20.898
tors. eta vs tors. theta energy: -42.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -496.229790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.229790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.229790 (E_RNA)
where:
Base-Base interactions energy: -362.391
where: short stacking energy: -130.278
Base-Backbone interact. energy: -0.181
local terms energy: -133.657901
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -21.141
flat angles C4'-P-C4' energy: -26.887
flat angles P-C4'-P energy: -24.223
tors. eta vs tors. theta energy: -42.368
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: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -561.214835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.214835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.214835 (E_RNA)
where:
Base-Base interactions energy: -404.222
where: short stacking energy: -155.886
Base-Backbone interact. energy: -0.944
local terms energy: -156.048401
where:
bonds (distance) C4'-P energy: -26.762
bonds (distance) P-C4' energy: -25.030
flat angles C4'-P-C4' energy: -32.167
flat angles P-C4'-P energy: -25.512
tors. eta vs tors. theta energy: -46.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -553.452555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.452555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.452555 (E_RNA)
where:
Base-Base interactions energy: -400.486
where: short stacking energy: -156.361
Base-Backbone interact. energy: -1.365
local terms energy: -151.601001
where:
bonds (distance) C4'-P energy: -22.565
bonds (distance) P-C4' energy: -27.980
flat angles C4'-P-C4' energy: -28.027
flat angles P-C4'-P energy: -26.021
tors. eta vs tors. theta energy: -47.008
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: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -553.524503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.524503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.524503 (E_RNA)
where:
Base-Base interactions energy: -400.021
where: short stacking energy: -157.731
Base-Backbone interact. energy: -0.908
local terms energy: -152.595570
where:
bonds (distance) C4'-P energy: -23.433
bonds (distance) P-C4' energy: -30.670
flat angles C4'-P-C4' energy: -30.665
flat angles P-C4'-P energy: -20.782
tors. eta vs tors. theta energy: -47.045
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: 468
Temperature: 1.050000
Total energy: -540.628761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.628761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.628761 (E_RNA)
where:
Base-Base interactions energy: -390.315
where: short stacking energy: -150.027
Base-Backbone interact. energy: -2.262
local terms energy: -148.051837
where:
bonds (distance) C4'-P energy: -23.694
bonds (distance) P-C4' energy: -28.331
flat angles C4'-P-C4' energy: -28.563
flat angles P-C4'-P energy: -23.198
tors. eta vs tors. theta energy: -44.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -533.716459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.716459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.716459 (E_RNA)
where:
Base-Base interactions energy: -391.247
where: short stacking energy: -151.135
Base-Backbone interact. energy: 0.384
local terms energy: -142.853351
where:
bonds (distance) C4'-P energy: -26.043
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -28.855
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: -46.570
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: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -526.791264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.791264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.791264 (E_RNA)
where:
Base-Base interactions energy: -375.732
where: short stacking energy: -145.879
Base-Backbone interact. energy: -0.072
local terms energy: -150.987575
where:
bonds (distance) C4'-P energy: -29.557
bonds (distance) P-C4' energy: -33.007
flat angles C4'-P-C4' energy: -30.076
flat angles P-C4'-P energy: -16.719
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: 7, replica: 4
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -525.832193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.832193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.832193 (E_RNA)
where:
Base-Base interactions energy: -382.457
where: short stacking energy: -144.703
Base-Backbone interact. energy: -1.084
local terms energy: -142.291397
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -30.422
flat angles C4'-P-C4' energy: -29.686
flat angles P-C4'-P energy: -21.347
tors. eta vs tors. theta energy: -46.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -504.902093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.902093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.902093 (E_RNA)
where:
Base-Base interactions energy: -376.272
where: short stacking energy: -142.080
Base-Backbone interact. energy: -0.659
local terms energy: -127.971207
where:
bonds (distance) C4'-P energy: -24.294
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -26.598
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -43.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -516.147054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.147054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.147054 (E_RNA)
where:
Base-Base interactions energy: -390.447
where: short stacking energy: -148.882
Base-Backbone interact. energy: -0.433
local terms energy: -125.266528
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -23.660
flat angles C4'-P-C4' energy: -29.033
flat angles P-C4'-P energy: -16.211
tors. eta vs tors. theta energy: -44.065
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: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -496.042663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.042663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.042663 (E_RNA)
where:
Base-Base interactions energy: -375.265
where: short stacking energy: -145.630
Base-Backbone interact. energy: -0.019
local terms energy: -120.758843
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -26.804
flat angles P-C4'-P energy: -17.670
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: 1, replica: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -558.610005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.610005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.610005 (E_RNA)
where:
Base-Base interactions energy: -399.445
where: short stacking energy: -157.297
Base-Backbone interact. energy: -0.613
local terms energy: -158.551650
where:
bonds (distance) C4'-P energy: -23.380
bonds (distance) P-C4' energy: -27.767
flat angles C4'-P-C4' energy: -33.020
flat angles P-C4'-P energy: -27.795
tors. eta vs tors. theta energy: -46.590
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: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -554.306019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.306019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.306019 (E_RNA)
where:
Base-Base interactions energy: -396.345
where: short stacking energy: -155.550
Base-Backbone interact. energy: -1.491
local terms energy: -156.469477
where:
bonds (distance) C4'-P energy: -29.425
bonds (distance) P-C4' energy: -26.805
flat angles C4'-P-C4' energy: -29.256
flat angles P-C4'-P energy: -23.596
tors. eta vs tors. theta energy: -47.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -545.736697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.736697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.736697 (E_RNA)
where:
Base-Base interactions energy: -396.508
where: short stacking energy: -152.729
Base-Backbone interact. energy: -0.343
local terms energy: -148.885609
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -24.619
flat angles C4'-P-C4' energy: -30.623
flat angles P-C4'-P energy: -19.862
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: 4, replica: 8
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -538.189559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.189559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.189559 (E_RNA)
where:
Base-Base interactions energy: -392.117
where: short stacking energy: -157.045
Base-Backbone interact. energy: -1.036
local terms energy: -145.036606
where:
bonds (distance) C4'-P energy: -27.284
bonds (distance) P-C4' energy: -27.065
flat angles C4'-P-C4' energy: -27.747
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -44.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -537.895917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.895917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.895917 (E_RNA)
where:
Base-Base interactions energy: -388.426
where: short stacking energy: -149.726
Base-Backbone interact. energy: -0.939
local terms energy: -148.531208
where:
bonds (distance) C4'-P energy: -25.739
bonds (distance) P-C4' energy: -26.603
flat angles C4'-P-C4' energy: -29.692
flat angles P-C4'-P energy: -22.968
tors. eta vs tors. theta energy: -43.529
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: 4
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -527.111151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.111151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.111151 (E_RNA)
where:
Base-Base interactions energy: -382.608
where: short stacking energy: -148.136
Base-Backbone interact. energy: -0.829
local terms energy: -143.674164
where:
bonds (distance) C4'-P energy: -27.489
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -29.342
flat angles P-C4'-P energy: -23.090
tors. eta vs tors. theta energy: -42.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -514.242169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.242169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.242169 (E_RNA)
where:
Base-Base interactions energy: -381.456
where: short stacking energy: -145.426
Base-Backbone interact. energy: 1.657
local terms energy: -134.443024
where:
bonds (distance) C4'-P energy: -19.614
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -31.014
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: -44.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -519.515665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.515665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.515665 (E_RNA)
where:
Base-Base interactions energy: -375.679
where: short stacking energy: -148.033
Base-Backbone interact. energy: -0.985
local terms energy: -142.851102
where:
bonds (distance) C4'-P energy: -25.085
bonds (distance) P-C4' energy: -28.456
flat angles C4'-P-C4' energy: -28.499
flat angles P-C4'-P energy: -18.756
tors. eta vs tors. theta energy: -42.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -500.647463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.647463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.647463 (E_RNA)
where:
Base-Base interactions energy: -367.372
where: short stacking energy: -140.779
Base-Backbone interact. energy: -0.702
local terms energy: -132.572957
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -27.920
flat angles P-C4'-P energy: -18.362
tors. eta vs tors. theta energy: -45.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -488.159592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.159592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.159592 (E_RNA)
where:
Base-Base interactions energy: -363.269
where: short stacking energy: -151.178
Base-Backbone interact. energy: -1.606
local terms energy: -123.284547
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -29.198
flat angles P-C4'-P energy: -17.647
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: 1, replica: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -561.715172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.715172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.715172 (E_RNA)
where:
Base-Base interactions energy: -405.111
where: short stacking energy: -154.228
Base-Backbone interact. energy: -1.696
local terms energy: -154.907834
where:
bonds (distance) C4'-P energy: -23.872
bonds (distance) P-C4' energy: -31.607
flat angles C4'-P-C4' energy: -30.189
flat angles P-C4'-P energy: -22.877
tors. eta vs tors. theta energy: -46.362
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: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -562.194027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.194027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.194027 (E_RNA)
where:
Base-Base interactions energy: -398.195
where: short stacking energy: -158.242
Base-Backbone interact. energy: -1.720
local terms energy: -162.279541
where:
bonds (distance) C4'-P energy: -30.145
bonds (distance) P-C4' energy: -31.524
flat angles C4'-P-C4' energy: -31.264
flat angles P-C4'-P energy: -22.062
tors. eta vs tors. theta energy: -47.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -549.226125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.226125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.226125 (E_RNA)
where:
Base-Base interactions energy: -400.557
where: short stacking energy: -157.619
Base-Backbone interact. energy: 1.677
local terms energy: -150.346005
where:
bonds (distance) C4'-P energy: -28.097
bonds (distance) P-C4' energy: -23.972
flat angles C4'-P-C4' energy: -31.221
flat angles P-C4'-P energy: -21.728
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: 3
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -542.007987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.007987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.007987 (E_RNA)
where:
Base-Base interactions energy: -393.577
where: short stacking energy: -155.470
Base-Backbone interact. energy: -1.558
local terms energy: -146.873480
where:
bonds (distance) C4'-P energy: -25.646
bonds (distance) P-C4' energy: -27.832
flat angles C4'-P-C4' energy: -27.572
flat angles P-C4'-P energy: -20.001
tors. eta vs tors. theta energy: -45.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -536.182233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.182233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.182233 (E_RNA)
where:
Base-Base interactions energy: -393.496
where: short stacking energy: -152.641
Base-Backbone interact. energy: -0.816
local terms energy: -141.870535
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -27.242
flat angles C4'-P-C4' energy: -28.474
flat angles P-C4'-P energy: -23.110
tors. eta vs tors. theta energy: -45.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -526.848799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.848799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.848799 (E_RNA)
where:
Base-Base interactions energy: -387.454
where: short stacking energy: -152.027
Base-Backbone interact. energy: -0.508
local terms energy: -138.886731
where:
bonds (distance) C4'-P energy: -24.343
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -28.278
flat angles P-C4'-P energy: -21.849
tors. eta vs tors. theta energy: -45.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -511.274474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.274474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.274474 (E_RNA)
where:
Base-Base interactions energy: -385.850
where: short stacking energy: -144.319
Base-Backbone interact. energy: -0.779
local terms energy: -124.645720
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -25.695
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -43.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -520.309962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.309962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.309962 (E_RNA)
where:
Base-Base interactions energy: -386.622
where: short stacking energy: -154.026
Base-Backbone interact. energy: -0.286
local terms energy: -133.402133
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -23.326
flat angles C4'-P-C4' energy: -29.446
flat angles P-C4'-P energy: -22.626
tors. eta vs tors. theta energy: -39.422
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: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -496.470855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.470855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.470855 (E_RNA)
where:
Base-Base interactions energy: -370.999
where: short stacking energy: -138.406
Base-Backbone interact. energy: -0.709
local terms energy: -124.762476
where:
bonds (distance) C4'-P energy: -26.275
bonds (distance) P-C4' energy: -10.737
flat angles C4'-P-C4' energy: -26.768
flat angles P-C4'-P energy: -17.097
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: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -502.024822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.024822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.024822 (E_RNA)
where:
Base-Base interactions energy: -374.142
where: short stacking energy: -144.299
Base-Backbone interact. energy: -0.525
local terms energy: -127.357547
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -28.923
flat angles P-C4'-P energy: -15.710
tors. eta vs tors. theta energy: -40.904
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: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -563.312567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.312567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.312567 (E_RNA)
where:
Base-Base interactions energy: -405.435
where: short stacking energy: -159.354
Base-Backbone interact. energy: -1.344
local terms energy: -156.533965
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -25.717
flat angles C4'-P-C4' energy: -32.561
flat angles P-C4'-P energy: -26.059
tors. eta vs tors. theta energy: -47.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -560.815382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.815382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.815382 (E_RNA)
where:
Base-Base interactions energy: -406.780
where: short stacking energy: -163.108
Base-Backbone interact. energy: -0.949
local terms energy: -153.086538
where:
bonds (distance) C4'-P energy: -27.180
bonds (distance) P-C4' energy: -27.585
flat angles C4'-P-C4' energy: -28.734
flat angles P-C4'-P energy: -23.567
tors. eta vs tors. theta energy: -46.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -543.303965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.303965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.303965 (E_RNA)
where:
Base-Base interactions energy: -387.449
where: short stacking energy: -153.378
Base-Backbone interact. energy: -0.798
local terms energy: -155.057018
where:
bonds (distance) C4'-P energy: -26.800
bonds (distance) P-C4' energy: -26.014
flat angles C4'-P-C4' energy: -33.115
flat angles P-C4'-P energy: -23.734
tors. eta vs tors. theta energy: -45.394
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: 471
Temperature: 1.050000
Total energy: -552.890074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.890074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.890074 (E_RNA)
where:
Base-Base interactions energy: -396.430
where: short stacking energy: -154.163
Base-Backbone interact. energy: -1.056
local terms energy: -155.404863
where:
bonds (distance) C4'-P energy: -27.596
bonds (distance) P-C4' energy: -27.459
flat angles C4'-P-C4' energy: -26.756
flat angles P-C4'-P energy: -27.242
tors. eta vs tors. theta energy: -46.352
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: 471
Temperature: 1.100000
Total energy: -533.414026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.414026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.414026 (E_RNA)
where:
Base-Base interactions energy: -384.492
where: short stacking energy: -147.066
Base-Backbone interact. energy: 1.582
local terms energy: -150.503781
where:
bonds (distance) C4'-P energy: -27.404
bonds (distance) P-C4' energy: -27.130
flat angles C4'-P-C4' energy: -28.569
flat angles P-C4'-P energy: -19.460
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: 6, replica: 9
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -531.112049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.112049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.112049 (E_RNA)
where:
Base-Base interactions energy: -393.379
where: short stacking energy: -149.995
Base-Backbone interact. energy: -1.187
local terms energy: -136.546006
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -24.305
flat angles C4'-P-C4' energy: -26.240
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: -46.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -527.952592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.952592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.952592 (E_RNA)
where:
Base-Base interactions energy: -385.415
where: short stacking energy: -150.773
Base-Backbone interact. energy: 0.971
local terms energy: -143.508711
where:
bonds (distance) C4'-P energy: -24.093
bonds (distance) P-C4' energy: -24.954
flat angles C4'-P-C4' energy: -27.962
flat angles P-C4'-P energy: -19.258
tors. eta vs tors. theta energy: -47.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -508.676807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.676807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.676807 (E_RNA)
where:
Base-Base interactions energy: -374.502
where: short stacking energy: -147.318
Base-Backbone interact. energy: -0.376
local terms energy: -133.799595
where:
bonds (distance) C4'-P energy: -21.096
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -25.658
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -46.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -502.783042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.783042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.783042 (E_RNA)
where:
Base-Base interactions energy: -360.930
where: short stacking energy: -141.994
Base-Backbone interact. energy: -0.029
local terms energy: -141.823362
where:
bonds (distance) C4'-P energy: -27.702
bonds (distance) P-C4' energy: -26.811
flat angles C4'-P-C4' energy: -23.908
flat angles P-C4'-P energy: -18.211
tors. eta vs tors. theta energy: -45.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -507.157505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.157505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.157505 (E_RNA)
where:
Base-Base interactions energy: -373.880
where: short stacking energy: -136.979
Base-Backbone interact. energy: -0.379
local terms energy: -132.899190
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -27.899
flat angles C4'-P-C4' energy: -26.019
flat angles P-C4'-P energy: -16.675
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: 1, replica: 1
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -553.585592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.585592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.585592 (E_RNA)
where:
Base-Base interactions energy: -395.121
where: short stacking energy: -157.340
Base-Backbone interact. energy: -0.040
local terms energy: -158.423779
where:
bonds (distance) C4'-P energy: -25.182
bonds (distance) P-C4' energy: -28.478
flat angles C4'-P-C4' energy: -29.401
flat angles P-C4'-P energy: -28.452
tors. eta vs tors. theta energy: -46.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -560.326780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.326780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.326780 (E_RNA)
where:
Base-Base interactions energy: -405.590
where: short stacking energy: -158.979
Base-Backbone interact. energy: -0.231
local terms energy: -154.505968
where:
bonds (distance) C4'-P energy: -26.564
bonds (distance) P-C4' energy: -27.350
flat angles C4'-P-C4' energy: -29.579
flat angles P-C4'-P energy: -24.261
tors. eta vs tors. theta energy: -46.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -539.717487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.717487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.717487 (E_RNA)
where:
Base-Base interactions energy: -396.690
where: short stacking energy: -156.083
Base-Backbone interact. energy: -0.002
local terms energy: -143.025962
where:
bonds (distance) C4'-P energy: -23.960
bonds (distance) P-C4' energy: -24.209
flat angles C4'-P-C4' energy: -27.797
flat angles P-C4'-P energy: -18.488
tors. eta vs tors. theta energy: -48.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -533.645361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.645361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.645361 (E_RNA)
where:
Base-Base interactions energy: -393.247
where: short stacking energy: -159.532
Base-Backbone interact. energy: -0.238
local terms energy: -140.160289
where:
bonds (distance) C4'-P energy: -28.289
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -29.859
flat angles P-C4'-P energy: -17.131
tors. eta vs tors. theta energy: -44.436
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: 9
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -525.936170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.936170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.936170 (E_RNA)
where:
Base-Base interactions energy: -381.191
where: short stacking energy: -147.452
Base-Backbone interact. energy: -0.716
local terms energy: -144.029278
where:
bonds (distance) C4'-P energy: -27.880
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -30.488
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -41.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -538.225438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.225438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.225438 (E_RNA)
where:
Base-Base interactions energy: -388.154
where: short stacking energy: -152.429
Base-Backbone interact. energy: -0.011
local terms energy: -150.060013
where:
bonds (distance) C4'-P energy: -26.193
bonds (distance) P-C4' energy: -28.723
flat angles C4'-P-C4' energy: -32.006
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -48.069
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: 7, replica: 5
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -516.061882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.061882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.061882 (E_RNA)
where:
Base-Base interactions energy: -383.797
where: short stacking energy: -145.851
Base-Backbone interact. energy: -0.005
local terms energy: -132.259251
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -26.549
flat angles C4'-P-C4' energy: -24.318
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -45.365
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: 7
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -508.816955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.816955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.816955 (E_RNA)
where:
Base-Base interactions energy: -375.689
where: short stacking energy: -144.592
Base-Backbone interact. energy: -0.001
local terms energy: -133.126914
where:
bonds (distance) C4'-P energy: -21.730
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -25.213
flat angles P-C4'-P energy: -22.725
tors. eta vs tors. theta energy: -43.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -509.364465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.364465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.364465 (E_RNA)
where:
Base-Base interactions energy: -384.838
where: short stacking energy: -149.778
Base-Backbone interact. energy: -0.848
local terms energy: -123.678844
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -22.009
flat angles C4'-P-C4' energy: -29.461
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -42.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -491.705374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.705374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.705374 (E_RNA)
where:
Base-Base interactions energy: -358.578
where: short stacking energy: -135.912
Base-Backbone interact. energy: -0.058
local terms energy: -133.069854
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -25.437
flat angles C4'-P-C4' energy: -29.966
flat angles P-C4'-P energy: -22.240
tors. eta vs tors. theta energy: -39.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -562.036844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.036844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.036844 (E_RNA)
where:
Base-Base interactions energy: -405.793
where: short stacking energy: -164.254
Base-Backbone interact. energy: -0.379
local terms energy: -155.864931
where:
bonds (distance) C4'-P energy: -28.274
bonds (distance) P-C4' energy: -29.339
flat angles C4'-P-C4' energy: -29.265
flat angles P-C4'-P energy: -23.490
tors. eta vs tors. theta energy: -45.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -555.061811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.061811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.061811 (E_RNA)
where:
Base-Base interactions energy: -403.183
where: short stacking energy: -157.234
Base-Backbone interact. energy: -0.119
local terms energy: -151.759334
where:
bonds (distance) C4'-P energy: -25.308
bonds (distance) P-C4' energy: -21.872
flat angles C4'-P-C4' energy: -29.771
flat angles P-C4'-P energy: -26.712
tors. eta vs tors. theta energy: -48.096
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: 473
Temperature: 1.000000
Total energy: -547.513499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.513499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.513499 (E_RNA)
where:
Base-Base interactions energy: -402.426
where: short stacking energy: -155.717
Base-Backbone interact. energy: -0.367
local terms energy: -144.721115
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -29.240
flat angles C4'-P-C4' energy: -30.072
flat angles P-C4'-P energy: -19.075
tors. eta vs tors. theta energy: -47.150
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: 9
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -548.750679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.750679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.750679 (E_RNA)
where:
Base-Base interactions energy: -400.439
where: short stacking energy: -149.469
Base-Backbone interact. energy: -1.533
local terms energy: -146.779171
where:
bonds (distance) C4'-P energy: -23.397
bonds (distance) P-C4' energy: -29.940
flat angles C4'-P-C4' energy: -29.976
flat angles P-C4'-P energy: -16.035
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: 5, replica: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -536.684293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.684293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.684293 (E_RNA)
where:
Base-Base interactions energy: -397.121
where: short stacking energy: -155.781
Base-Backbone interact. energy: -0.281
local terms energy: -139.282855
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -28.013
flat angles P-C4'-P energy: -23.132
tors. eta vs tors. theta energy: -46.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -533.903562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.903562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.903562 (E_RNA)
where:
Base-Base interactions energy: -390.826
where: short stacking energy: -152.840
Base-Backbone interact. energy: -0.642
local terms energy: -142.435179
where:
bonds (distance) C4'-P energy: -27.628
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -18.458
tors. eta vs tors. theta energy: -46.658
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: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -516.728745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.728745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.728745 (E_RNA)
where:
Base-Base interactions energy: -372.861
where: short stacking energy: -138.271
Base-Backbone interact. energy: -0.155
local terms energy: -143.712696
where:
bonds (distance) C4'-P energy: -27.408
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -30.575
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: -45.092
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: 7
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -509.617736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.617736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.617736 (E_RNA)
where:
Base-Base interactions energy: -373.645
where: short stacking energy: -143.113
Base-Backbone interact. energy: -1.145
local terms energy: -134.827607
where:
bonds (distance) C4'-P energy: -28.785
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -28.878
flat angles P-C4'-P energy: -17.777
tors. eta vs tors. theta energy: -45.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -505.462476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.462476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.462476 (E_RNA)
where:
Base-Base interactions energy: -364.832
where: short stacking energy: -146.601
Base-Backbone interact. energy: -0.004
local terms energy: -140.626588
where:
bonds (distance) C4'-P energy: -28.335
bonds (distance) P-C4' energy: -20.734
flat angles C4'-P-C4' energy: -25.955
flat angles P-C4'-P energy: -22.695
tors. eta vs tors. theta energy: -42.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -500.760825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.760825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.760825 (E_RNA)
where:
Base-Base interactions energy: -358.592
where: short stacking energy: -137.925
Base-Backbone interact. energy: -0.163
local terms energy: -142.005887
where:
bonds (distance) C4'-P energy: -25.264
bonds (distance) P-C4' energy: -26.143
flat angles C4'-P-C4' energy: -28.112
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -47.341
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: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -562.066823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.066823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.066823 (E_RNA)
where:
Base-Base interactions energy: -404.834
where: short stacking energy: -162.276
Base-Backbone interact. energy: -0.049
local terms energy: -157.183841
where:
bonds (distance) C4'-P energy: -23.820
bonds (distance) P-C4' energy: -32.317
flat angles C4'-P-C4' energy: -33.828
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -48.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -555.097864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.097864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.097864 (E_RNA)
where:
Base-Base interactions energy: -400.002
where: short stacking energy: -156.174
Base-Backbone interact. energy: -1.242
local terms energy: -153.853026
where:
bonds (distance) C4'-P energy: -24.047
bonds (distance) P-C4' energy: -25.373
flat angles C4'-P-C4' energy: -32.986
flat angles P-C4'-P energy: -24.397
tors. eta vs tors. theta energy: -47.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -552.057784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.057784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.057784 (E_RNA)
where:
Base-Base interactions energy: -401.145
where: short stacking energy: -155.611
Base-Backbone interact. energy: -0.001
local terms energy: -150.912412
where:
bonds (distance) C4'-P energy: -29.466
bonds (distance) P-C4' energy: -29.210
flat angles C4'-P-C4' energy: -26.403
flat angles P-C4'-P energy: -21.583
tors. eta vs tors. theta energy: -44.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -537.790277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.790277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.790277 (E_RNA)
where:
Base-Base interactions energy: -389.610
where: short stacking energy: -146.611
Base-Backbone interact. energy: -0.215
local terms energy: -147.965334
where:
bonds (distance) C4'-P energy: -29.364
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: -28.576
flat angles P-C4'-P energy: -22.576
tors. eta vs tors. theta energy: -45.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -536.363868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.363868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.363868 (E_RNA)
where:
Base-Base interactions energy: -390.340
where: short stacking energy: -149.950
Base-Backbone interact. energy: -0.318
local terms energy: -145.706131
where:
bonds (distance) C4'-P energy: -24.611
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -29.778
flat angles P-C4'-P energy: -19.194
tors. eta vs tors. theta energy: -44.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -532.994041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.994041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.994041 (E_RNA)
where:
Base-Base interactions energy: -389.344
where: short stacking energy: -153.900
Base-Backbone interact. energy: -1.271
local terms energy: -142.379481
where:
bonds (distance) C4'-P energy: -23.859
bonds (distance) P-C4' energy: -23.791
flat angles C4'-P-C4' energy: -30.508
flat angles P-C4'-P energy: -19.429
tors. eta vs tors. theta energy: -44.794
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: 7
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -532.522860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.522860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.522860 (E_RNA)
where:
Base-Base interactions energy: -386.779
where: short stacking energy: -152.079
Base-Backbone interact. energy: -0.005
local terms energy: -145.739215
where:
bonds (distance) C4'-P energy: -29.613
bonds (distance) P-C4' energy: -22.708
flat angles C4'-P-C4' energy: -30.542
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -41.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -510.121185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.121185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.121185 (E_RNA)
where:
Base-Base interactions energy: -367.835
where: short stacking energy: -143.643
Base-Backbone interact. energy: -1.092
local terms energy: -141.193667
where:
bonds (distance) C4'-P energy: -29.695
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -28.936
flat angles P-C4'-P energy: -19.810
tors. eta vs tors. theta energy: -42.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -496.907326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.907326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.907326 (E_RNA)
where:
Base-Base interactions energy: -358.956
where: short stacking energy: -136.762
Base-Backbone interact. energy: -0.266
local terms energy: -137.685130
where:
bonds (distance) C4'-P energy: -29.860
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -29.264
flat angles P-C4'-P energy: -18.150
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: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -489.266443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.266443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.266443 (E_RNA)
where:
Base-Base interactions energy: -362.407
where: short stacking energy: -140.998
Base-Backbone interact. energy: -0.102
local terms energy: -126.757429
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -25.798
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -41.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -560.993510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.993510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.993510 (E_RNA)
where:
Base-Base interactions energy: -402.585
where: short stacking energy: -155.990
Base-Backbone interact. energy: -0.799
local terms energy: -157.609192
where:
bonds (distance) C4'-P energy: -26.631
bonds (distance) P-C4' energy: -30.161
flat angles C4'-P-C4' energy: -30.165
flat angles P-C4'-P energy: -24.234
tors. eta vs tors. theta energy: -46.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -554.306990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.306990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.306990 (E_RNA)
where:
Base-Base interactions energy: -397.797
where: short stacking energy: -155.578
Base-Backbone interact. energy: -0.641
local terms energy: -155.868487
where:
bonds (distance) C4'-P energy: -28.265
bonds (distance) P-C4' energy: -25.595
flat angles C4'-P-C4' energy: -29.550
flat angles P-C4'-P energy: -27.348
tors. eta vs tors. theta energy: -45.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -544.253387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.253387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.253387 (E_RNA)
where:
Base-Base interactions energy: -395.423
where: short stacking energy: -153.761
Base-Backbone interact. energy: -0.048
local terms energy: -148.782370
where:
bonds (distance) C4'-P energy: -26.211
bonds (distance) P-C4' energy: -25.112
flat angles C4'-P-C4' energy: -31.473
flat angles P-C4'-P energy: -23.250
tors. eta vs tors. theta energy: -42.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -530.263603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.263603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.263603 (E_RNA)
where:
Base-Base interactions energy: -391.492
where: short stacking energy: -153.276
Base-Backbone interact. energy: -1.757
local terms energy: -137.014951
where:
bonds (distance) C4'-P energy: -19.045
bonds (distance) P-C4' energy: -22.945
flat angles C4'-P-C4' energy: -30.585
flat angles P-C4'-P energy: -23.546
tors. eta vs tors. theta energy: -40.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -524.543294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.543294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.543294 (E_RNA)
where:
Base-Base interactions energy: -379.959
where: short stacking energy: -145.628
Base-Backbone interact. energy: -0.230
local terms energy: -144.353943
where:
bonds (distance) C4'-P energy: -26.820
bonds (distance) P-C4' energy: -22.659
flat angles C4'-P-C4' energy: -31.873
flat angles P-C4'-P energy: -18.486
tors. eta vs tors. theta energy: -44.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -527.779728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.779728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.779728 (E_RNA)
where:
Base-Base interactions energy: -385.338
where: short stacking energy: -147.164
Base-Backbone interact. energy: 0.822
local terms energy: -143.264068
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -30.164
flat angles P-C4'-P energy: -24.071
tors. eta vs tors. theta energy: -44.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -511.649637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.649637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.649637 (E_RNA)
where:
Base-Base interactions energy: -371.169
where: short stacking energy: -143.681
Base-Backbone interact. energy: -0.087
local terms energy: -140.393115
where:
bonds (distance) C4'-P energy: -27.454
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -28.777
flat angles P-C4'-P energy: -17.817
tors. eta vs tors. theta energy: -44.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -512.273936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.273936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.273936 (E_RNA)
where:
Base-Base interactions energy: -371.454
where: short stacking energy: -145.467
Base-Backbone interact. energy: -0.630
local terms energy: -140.190477
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -32.004
flat angles P-C4'-P energy: -20.185
tors. eta vs tors. theta energy: -45.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -508.891901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.891901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.891901 (E_RNA)
where:
Base-Base interactions energy: -373.501
where: short stacking energy: -141.666
Base-Backbone interact. energy: 0.789
local terms energy: -136.179945
where:
bonds (distance) C4'-P energy: -26.303
bonds (distance) P-C4' energy: -19.850
flat angles C4'-P-C4' energy: -28.908
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -43.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -478.103404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.103404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.103404 (E_RNA)
where:
Base-Base interactions energy: -356.068
where: short stacking energy: -140.246
Base-Backbone interact. energy: -0.123
local terms energy: -121.912155
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -21.230
flat angles C4'-P-C4' energy: -20.588
flat angles P-C4'-P energy: -18.440
tors. eta vs tors. theta energy: -42.297
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: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -564.879021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.879021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.879021 (E_RNA)
where:
Base-Base interactions energy: -407.002
where: short stacking energy: -165.017
Base-Backbone interact. energy: -0.748
local terms energy: -157.129913
where:
bonds (distance) C4'-P energy: -26.535
bonds (distance) P-C4' energy: -27.596
flat angles C4'-P-C4' energy: -33.378
flat angles P-C4'-P energy: -23.517
tors. eta vs tors. theta energy: -46.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -551.749518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.749518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.749518 (E_RNA)
where:
Base-Base interactions energy: -406.574
where: short stacking energy: -167.918
Base-Backbone interact. energy: -0.629
local terms energy: -144.546443
where:
bonds (distance) C4'-P energy: -30.345
bonds (distance) P-C4' energy: -23.083
flat angles C4'-P-C4' energy: -30.032
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -47.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -548.038640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.038640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.038640 (E_RNA)
where:
Base-Base interactions energy: -399.071
where: short stacking energy: -160.035
Base-Backbone interact. energy: 0.140
local terms energy: -149.108121
where:
bonds (distance) C4'-P energy: -27.645
bonds (distance) P-C4' energy: -26.415
flat angles C4'-P-C4' energy: -27.700
flat angles P-C4'-P energy: -19.354
tors. eta vs tors. theta energy: -47.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -533.193027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.193027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.193027 (E_RNA)
where:
Base-Base interactions energy: -391.947
where: short stacking energy: -149.110
Base-Backbone interact. energy: -0.674
local terms energy: -140.572720
where:
bonds (distance) C4'-P energy: -22.023
bonds (distance) P-C4' energy: -23.354
flat angles C4'-P-C4' energy: -32.111
flat angles P-C4'-P energy: -19.153
tors. eta vs tors. theta energy: -43.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -532.907756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.907756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.907756 (E_RNA)
where:
Base-Base interactions energy: -391.802
where: short stacking energy: -155.095
Base-Backbone interact. energy: -0.002
local terms energy: -141.103960
where:
bonds (distance) C4'-P energy: -22.402
bonds (distance) P-C4' energy: -22.960
flat angles C4'-P-C4' energy: -28.693
flat angles P-C4'-P energy: -22.928
tors. eta vs tors. theta energy: -44.120
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: 6, replica: 8
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -518.361166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.361166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.361166 (E_RNA)
where:
Base-Base interactions energy: -382.454
where: short stacking energy: -147.396
Base-Backbone interact. energy: -0.002
local terms energy: -135.905098
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -28.237
flat angles C4'-P-C4' energy: -27.324
flat angles P-C4'-P energy: -17.995
tors. eta vs tors. theta energy: -46.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -513.238233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.238233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.238233 (E_RNA)
where:
Base-Base interactions energy: -373.659
where: short stacking energy: -142.539
Base-Backbone interact. energy: 0.299
local terms energy: -139.877911
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -29.635
flat angles P-C4'-P energy: -19.401
tors. eta vs tors. theta energy: -44.302
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: 4
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -511.771962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.771962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.771962 (E_RNA)
where:
Base-Base interactions energy: -381.209
where: short stacking energy: -146.449
Base-Backbone interact. energy: -1.343
local terms energy: -129.220138
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -29.190
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: -43.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -493.837914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.837914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.837914 (E_RNA)
where:
Base-Base interactions energy: -366.179
where: short stacking energy: -151.413
Base-Backbone interact. energy: -0.283
local terms energy: -127.376205
where:
bonds (distance) C4'-P energy: -21.467
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -22.997
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: -43.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -475.060632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.060632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.060632 (E_RNA)
where:
Base-Base interactions energy: -340.494
where: short stacking energy: -127.263
Base-Backbone interact. energy: -0.465
local terms energy: -134.101689
where:
bonds (distance) C4'-P energy: -27.297
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -31.296
flat angles P-C4'-P energy: -18.704
tors. eta vs tors. theta energy: -37.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -565.301227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.301227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.301227 (E_RNA)
where:
Base-Base interactions energy: -404.497
where: short stacking energy: -159.405
Base-Backbone interact. energy: -1.140
local terms energy: -159.664506
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -25.483
flat angles C4'-P-C4' energy: -33.645
flat angles P-C4'-P energy: -23.038
tors. eta vs tors. theta energy: -49.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -554.822916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.822916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.822916 (E_RNA)
where:
Base-Base interactions energy: -401.484
where: short stacking energy: -154.320
Base-Backbone interact. energy: -0.788
local terms energy: -152.551302
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -31.193
flat angles C4'-P-C4' energy: -30.342
flat angles P-C4'-P energy: -22.081
tors. eta vs tors. theta energy: -45.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -550.617887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.617887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.617887 (E_RNA)
where:
Base-Base interactions energy: -398.347
where: short stacking energy: -154.603
Base-Backbone interact. energy: -0.444
local terms energy: -151.827012
where:
bonds (distance) C4'-P energy: -24.652
bonds (distance) P-C4' energy: -27.131
flat angles C4'-P-C4' energy: -30.609
flat angles P-C4'-P energy: -23.085
tors. eta vs tors. theta energy: -46.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -530.705191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.705191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.705191 (E_RNA)
where:
Base-Base interactions energy: -385.219
where: short stacking energy: -149.976
Base-Backbone interact. energy: -0.005
local terms energy: -145.480852
where:
bonds (distance) C4'-P energy: -22.926
bonds (distance) P-C4' energy: -26.942
flat angles C4'-P-C4' energy: -29.141
flat angles P-C4'-P energy: -19.913
tors. eta vs tors. theta energy: -46.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -532.298981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.298981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.298981 (E_RNA)
where:
Base-Base interactions energy: -391.168
where: short stacking energy: -151.171
Base-Backbone interact. energy: -0.925
local terms energy: -140.205977
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -26.336
flat angles C4'-P-C4' energy: -27.546
flat angles P-C4'-P energy: -19.648
tors. eta vs tors. theta energy: -45.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -529.263562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.263562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.263562 (E_RNA)
where:
Base-Base interactions energy: -378.347
where: short stacking energy: -148.675
Base-Backbone interact. energy: -1.786
local terms energy: -149.130881
where:
bonds (distance) C4'-P energy: -27.504
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -30.161
flat angles P-C4'-P energy: -21.549
tors. eta vs tors. theta energy: -45.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -506.152308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.152308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.152308 (E_RNA)
where:
Base-Base interactions energy: -380.186
where: short stacking energy: -147.237
Base-Backbone interact. energy: -0.204
local terms energy: -125.762329
where:
bonds (distance) C4'-P energy: -23.972
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -18.982
tors. eta vs tors. theta energy: -43.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -502.183272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.183272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.183272 (E_RNA)
where:
Base-Base interactions energy: -370.187
where: short stacking energy: -141.613
Base-Backbone interact. energy: -1.266
local terms energy: -130.730674
where:
bonds (distance) C4'-P energy: -26.917
bonds (distance) P-C4' energy: -19.404
flat angles C4'-P-C4' energy: -24.805
flat angles P-C4'-P energy: -19.404
tors. eta vs tors. theta energy: -40.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -500.085969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.085969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.085969 (E_RNA)
where:
Base-Base interactions energy: -373.630
where: short stacking energy: -144.244
Base-Backbone interact. energy: -0.094
local terms energy: -126.361626
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -27.854
flat angles C4'-P-C4' energy: -26.065
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: -42.022
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: 5
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -492.901228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.901228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.901228 (E_RNA)
where:
Base-Base interactions energy: -368.200
where: short stacking energy: -134.663
Base-Backbone interact. energy: -0.104
local terms energy: -124.597000
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -21.874
tors. eta vs tors. theta energy: -41.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -567.599408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.599408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.599408 (E_RNA)
where:
Base-Base interactions energy: -408.337
where: short stacking energy: -161.839
Base-Backbone interact. energy: -0.883
local terms energy: -158.379530
where:
bonds (distance) C4'-P energy: -28.576
bonds (distance) P-C4' energy: -25.676
flat angles C4'-P-C4' energy: -31.082
flat angles P-C4'-P energy: -25.142
tors. eta vs tors. theta energy: -47.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -550.702162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.702162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.702162 (E_RNA)
where:
Base-Base interactions energy: -389.871
where: short stacking energy: -150.677
Base-Backbone interact. energy: -1.679
local terms energy: -159.152120
where:
bonds (distance) C4'-P energy: -28.464
bonds (distance) P-C4' energy: -27.015
flat angles C4'-P-C4' energy: -32.393
flat angles P-C4'-P energy: -24.401
tors. eta vs tors. theta energy: -46.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -551.152938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.152938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.152938 (E_RNA)
where:
Base-Base interactions energy: -399.298
where: short stacking energy: -155.798
Base-Backbone interact. energy: -2.047
local terms energy: -149.808599
where:
bonds (distance) C4'-P energy: -24.587
bonds (distance) P-C4' energy: -23.497
flat angles C4'-P-C4' energy: -30.093
flat angles P-C4'-P energy: -23.011
tors. eta vs tors. theta energy: -48.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -548.955081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.955081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.955081 (E_RNA)
where:
Base-Base interactions energy: -390.606
where: short stacking energy: -154.031
Base-Backbone interact. energy: -0.469
local terms energy: -157.879252
where:
bonds (distance) C4'-P energy: -28.630
bonds (distance) P-C4' energy: -26.068
flat angles C4'-P-C4' energy: -32.448
flat angles P-C4'-P energy: -26.142
tors. eta vs tors. theta energy: -44.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -523.736066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.736066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.736066 (E_RNA)
where:
Base-Base interactions energy: -374.110
where: short stacking energy: -143.373
Base-Backbone interact. energy: -0.091
local terms energy: -149.534261
where:
bonds (distance) C4'-P energy: -24.657
bonds (distance) P-C4' energy: -28.547
flat angles C4'-P-C4' energy: -28.074
flat angles P-C4'-P energy: -23.477
tors. eta vs tors. theta energy: -44.780
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: 7
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -531.482360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.482360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.482360 (E_RNA)
where:
Base-Base interactions energy: -382.516
where: short stacking energy: -144.755
Base-Backbone interact. energy: -0.293
local terms energy: -148.674259
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -28.759
flat angles C4'-P-C4' energy: -31.378
flat angles P-C4'-P energy: -22.157
tors. eta vs tors. theta energy: -45.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -510.192496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.192496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.192496 (E_RNA)
where:
Base-Base interactions energy: -380.226
where: short stacking energy: -153.537
Base-Backbone interact. energy: -0.001
local terms energy: -129.965304
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -18.789
flat angles C4'-P-C4' energy: -30.577
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -45.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -497.379922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.379922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.379922 (E_RNA)
where:
Base-Base interactions energy: -380.115
where: short stacking energy: -147.265
Base-Backbone interact. energy: -0.990
local terms energy: -116.274857
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -42.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -512.629935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.629935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.629935 (E_RNA)
where:
Base-Base interactions energy: -379.265
where: short stacking energy: -144.926
Base-Backbone interact. energy: -0.004
local terms energy: -133.360827
where:
bonds (distance) C4'-P energy: -25.362
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -27.345
flat angles P-C4'-P energy: -15.759
tors. eta vs tors. theta energy: -45.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -501.146208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.146208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.146208 (E_RNA)
where:
Base-Base interactions energy: -373.422
where: short stacking energy: -149.679
Base-Backbone interact. energy: -0.727
local terms energy: -126.996790
where:
bonds (distance) C4'-P energy: -25.941
bonds (distance) P-C4' energy: -16.679
flat angles C4'-P-C4' energy: -27.394
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -43.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -573.747676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.747676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.747676 (E_RNA)
where:
Base-Base interactions energy: -410.805
where: short stacking energy: -160.257
Base-Backbone interact. energy: -0.225
local terms energy: -162.718008
where:
bonds (distance) C4'-P energy: -31.768
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -31.638
flat angles P-C4'-P energy: -25.478
tors. eta vs tors. theta energy: -48.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -555.276421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.276421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.276421 (E_RNA)
where:
Base-Base interactions energy: -406.747
where: short stacking energy: -160.208
Base-Backbone interact. energy: -1.744
local terms energy: -146.785969
where:
bonds (distance) C4'-P energy: -24.059
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -32.122
flat angles P-C4'-P energy: -24.273
tors. eta vs tors. theta energy: -45.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -546.140291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.140291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.140291 (E_RNA)
where:
Base-Base interactions energy: -393.980
where: short stacking energy: -150.209
Base-Backbone interact. energy: -0.671
local terms energy: -151.488717
where:
bonds (distance) C4'-P energy: -22.072
bonds (distance) P-C4' energy: -32.839
flat angles C4'-P-C4' energy: -28.344
flat angles P-C4'-P energy: -23.777
tors. eta vs tors. theta energy: -44.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -543.387286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.387286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.387286 (E_RNA)
where:
Base-Base interactions energy: -393.015
where: short stacking energy: -153.229
Base-Backbone interact. energy: -2.303
local terms energy: -148.068518
where:
bonds (distance) C4'-P energy: -24.675
bonds (distance) P-C4' energy: -29.178
flat angles C4'-P-C4' energy: -29.500
flat angles P-C4'-P energy: -18.614
tors. eta vs tors. theta energy: -46.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -538.020660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.020660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.020660 (E_RNA)
where:
Base-Base interactions energy: -389.577
where: short stacking energy: -152.365
Base-Backbone interact. energy: -0.092
local terms energy: -148.352049
where:
bonds (distance) C4'-P energy: -30.593
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -30.297
flat angles P-C4'-P energy: -23.290
tors. eta vs tors. theta energy: -43.596
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: 7
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -531.226093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.226093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.226093 (E_RNA)
where:
Base-Base interactions energy: -390.534
where: short stacking energy: -154.237
Base-Backbone interact. energy: -2.652
local terms energy: -138.039858
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -26.976
flat angles C4'-P-C4' energy: -28.144
flat angles P-C4'-P energy: -19.046
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: 7, replica: 6
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -520.379613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.379613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.379613 (E_RNA)
where:
Base-Base interactions energy: -379.355
where: short stacking energy: -147.769
Base-Backbone interact. energy: -0.889
local terms energy: -140.136030
where:
bonds (distance) C4'-P energy: -24.238
bonds (distance) P-C4' energy: -24.851
flat angles C4'-P-C4' energy: -29.417
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -43.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -508.663009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.663009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.663009 (E_RNA)
where:
Base-Base interactions energy: -374.825
where: short stacking energy: -142.669
Base-Backbone interact. energy: -0.027
local terms energy: -133.810566
where:
bonds (distance) C4'-P energy: -23.803
bonds (distance) P-C4' energy: -25.531
flat angles C4'-P-C4' energy: -23.900
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -41.161
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: 10
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -512.997765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.997765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.997765 (E_RNA)
where:
Base-Base interactions energy: -376.160
where: short stacking energy: -147.267
Base-Backbone interact. energy: -0.319
local terms energy: -136.519229
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -31.636
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -43.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -504.624337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.624337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.624337 (E_RNA)
where:
Base-Base interactions energy: -371.637
where: short stacking energy: -146.117
Base-Backbone interact. energy: -0.240
local terms energy: -132.747615
where:
bonds (distance) C4'-P energy: -25.449
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -24.012
flat angles P-C4'-P energy: -18.681
tors. eta vs tors. theta energy: -40.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -567.162544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.162544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.162544 (E_RNA)
where:
Base-Base interactions energy: -411.819
where: short stacking energy: -163.245
Base-Backbone interact. energy: -0.659
local terms energy: -154.684265
where:
bonds (distance) C4'-P energy: -24.326
bonds (distance) P-C4' energy: -25.813
flat angles C4'-P-C4' energy: -31.580
flat angles P-C4'-P energy: -24.442
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: 2, replica: 3
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -562.139908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.139908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.139908 (E_RNA)
where:
Base-Base interactions energy: -413.238
where: short stacking energy: -163.418
Base-Backbone interact. energy: -1.554
local terms energy: -147.347075
where:
bonds (distance) C4'-P energy: -22.084
bonds (distance) P-C4' energy: -23.677
flat angles C4'-P-C4' energy: -29.939
flat angles P-C4'-P energy: -24.400
tors. eta vs tors. theta energy: -47.248
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: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -555.713929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.713929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.713929 (E_RNA)
where:
Base-Base interactions energy: -396.990
where: short stacking energy: -158.126
Base-Backbone interact. energy: -0.699
local terms energy: -158.024719
where:
bonds (distance) C4'-P energy: -24.347
bonds (distance) P-C4' energy: -30.461
flat angles C4'-P-C4' energy: -32.133
flat angles P-C4'-P energy: -22.649
tors. eta vs tors. theta energy: -48.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -540.874472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.874472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.874472 (E_RNA)
where:
Base-Base interactions energy: -387.623
where: short stacking energy: -153.092
Base-Backbone interact. energy: -0.744
local terms energy: -152.507325
where:
bonds (distance) C4'-P energy: -26.374
bonds (distance) P-C4' energy: -31.005
flat angles C4'-P-C4' energy: -25.744
flat angles P-C4'-P energy: -22.462
tors. eta vs tors. theta energy: -46.923
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: 7
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -525.053988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.053988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.053988 (E_RNA)
where:
Base-Base interactions energy: -384.432
where: short stacking energy: -151.343
Base-Backbone interact. energy: -1.094
local terms energy: -139.527694
where:
bonds (distance) C4'-P energy: -25.960
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -28.899
flat angles P-C4'-P energy: -18.644
tors. eta vs tors. theta energy: -41.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -535.799239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.799239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.799239 (E_RNA)
where:
Base-Base interactions energy: -392.907
where: short stacking energy: -156.975
Base-Backbone interact. energy: -0.178
local terms energy: -142.714312
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -35.131
flat angles P-C4'-P energy: -20.264
tors. eta vs tors. theta energy: -47.921
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: 4
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -541.520490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.520490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.520490 (E_RNA)
where:
Base-Base interactions energy: -387.248
where: short stacking energy: -149.157
Base-Backbone interact. energy: -0.100
local terms energy: -154.173300
where:
bonds (distance) C4'-P energy: -23.652
bonds (distance) P-C4' energy: -31.413
flat angles C4'-P-C4' energy: -31.035
flat angles P-C4'-P energy: -22.372
tors. eta vs tors. theta energy: -45.702
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: 6
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -518.076047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.076047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.076047 (E_RNA)
where:
Base-Base interactions energy: -375.629
where: short stacking energy: -148.828
Base-Backbone interact. energy: -0.735
local terms energy: -141.712816
where:
bonds (distance) C4'-P energy: -25.397
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -29.328
flat angles P-C4'-P energy: -18.317
tors. eta vs tors. theta energy: -44.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -501.736157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.736157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.736157 (E_RNA)
where:
Base-Base interactions energy: -377.238
where: short stacking energy: -144.735
Base-Backbone interact. energy: -0.066
local terms energy: -124.432518
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -20.264
flat angles C4'-P-C4' energy: -30.360
flat angles P-C4'-P energy: -16.810
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: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -503.147411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.147411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.147411 (E_RNA)
where:
Base-Base interactions energy: -372.533
where: short stacking energy: -143.010
Base-Backbone interact. energy: -0.318
local terms energy: -130.297123
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -27.324
flat angles C4'-P-C4' energy: -29.853
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -41.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -563.589270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.589270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.589270 (E_RNA)
where:
Base-Base interactions energy: -404.969
where: short stacking energy: -156.318
Base-Backbone interact. energy: -1.674
local terms energy: -156.945895
where:
bonds (distance) C4'-P energy: -28.261
bonds (distance) P-C4' energy: -24.055
flat angles C4'-P-C4' energy: -32.291
flat angles P-C4'-P energy: -24.550
tors. eta vs tors. theta energy: -47.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -548.535969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.535969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.535969 (E_RNA)
where:
Base-Base interactions energy: -390.615
where: short stacking energy: -153.951
Base-Backbone interact. energy: -0.263
local terms energy: -157.658393
where:
bonds (distance) C4'-P energy: -27.166
bonds (distance) P-C4' energy: -29.160
flat angles C4'-P-C4' energy: -33.051
flat angles P-C4'-P energy: -22.412
tors. eta vs tors. theta energy: -45.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -552.536353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.536353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.536353 (E_RNA)
where:
Base-Base interactions energy: -403.201
where: short stacking energy: -161.961
Base-Backbone interact. energy: -0.598
local terms energy: -148.736985
where:
bonds (distance) C4'-P energy: -26.005
bonds (distance) P-C4' energy: -26.413
flat angles C4'-P-C4' energy: -29.184
flat angles P-C4'-P energy: -21.100
tors. eta vs tors. theta energy: -46.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -546.286940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.286940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.286940 (E_RNA)
where:
Base-Base interactions energy: -398.045
where: short stacking energy: -155.735
Base-Backbone interact. energy: -1.492
local terms energy: -146.750433
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -29.442
flat angles C4'-P-C4' energy: -30.815
flat angles P-C4'-P energy: -19.671
tors. eta vs tors. theta energy: -47.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -532.023986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.023986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.023986 (E_RNA)
where:
Base-Base interactions energy: -385.106
where: short stacking energy: -147.131
Base-Backbone interact. energy: -0.840
local terms energy: -146.077765
where:
bonds (distance) C4'-P energy: -23.781
bonds (distance) P-C4' energy: -26.134
flat angles C4'-P-C4' energy: -29.446
flat angles P-C4'-P energy: -22.340
tors. eta vs tors. theta energy: -44.377
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: 6, replica: 4
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -533.545737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.545737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.545737 (E_RNA)
where:
Base-Base interactions energy: -384.261
where: short stacking energy: -148.431
Base-Backbone interact. energy: 0.025
local terms energy: -149.309623
where:
bonds (distance) C4'-P energy: -27.035
bonds (distance) P-C4' energy: -28.790
flat angles C4'-P-C4' energy: -29.565
flat angles P-C4'-P energy: -19.901
tors. eta vs tors. theta energy: -44.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -528.490378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.490378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.490378 (E_RNA)
where:
Base-Base interactions energy: -379.204
where: short stacking energy: -152.206
Base-Backbone interact. energy: -1.397
local terms energy: -147.889342
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -25.221
flat angles C4'-P-C4' energy: -30.971
flat angles P-C4'-P energy: -18.247
tors. eta vs tors. theta energy: -45.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -521.093136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.093136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.093136 (E_RNA)
where:
Base-Base interactions energy: -387.414
where: short stacking energy: -148.547
Base-Backbone interact. energy: -0.317
local terms energy: -133.362486
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -29.846
flat angles P-C4'-P energy: -23.292
tors. eta vs tors. theta energy: -43.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -496.276478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.276478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.276478 (E_RNA)
where:
Base-Base interactions energy: -364.014
where: short stacking energy: -141.263
Base-Backbone interact. energy: -0.007
local terms energy: -132.255126
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -24.516
flat angles C4'-P-C4' energy: -28.671
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -46.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -495.596335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.596335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.596335 (E_RNA)
where:
Base-Base interactions energy: -361.549
where: short stacking energy: -139.100
Base-Backbone interact. energy: -0.108
local terms energy: -133.939713
where:
bonds (distance) C4'-P energy: -25.733
bonds (distance) P-C4' energy: -23.510
flat angles C4'-P-C4' energy: -27.062
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -42.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -564.797899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.797899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.797899 (E_RNA)
where:
Base-Base interactions energy: -401.872
where: short stacking energy: -157.161
Base-Backbone interact. energy: 0.001
local terms energy: -162.927280
where:
bonds (distance) C4'-P energy: -26.515
bonds (distance) P-C4' energy: -28.795
flat angles C4'-P-C4' energy: -35.917
flat angles P-C4'-P energy: -24.620
tors. eta vs tors. theta energy: -47.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -557.661394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.661394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.661394 (E_RNA)
where:
Base-Base interactions energy: -393.649
where: short stacking energy: -151.135
Base-Backbone interact. energy: -0.418
local terms energy: -163.594432
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -30.191
flat angles C4'-P-C4' energy: -31.930
flat angles P-C4'-P energy: -26.053
tors. eta vs tors. theta energy: -46.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -544.979067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.979067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.979067 (E_RNA)
where:
Base-Base interactions energy: -402.344
where: short stacking energy: -161.364
Base-Backbone interact. energy: -0.015
local terms energy: -142.619693
where:
bonds (distance) C4'-P energy: -23.340
bonds (distance) P-C4' energy: -26.156
flat angles C4'-P-C4' energy: -25.686
flat angles P-C4'-P energy: -21.400
tors. eta vs tors. theta energy: -46.037
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: 4, replica: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -547.874887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.874887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.874887 (E_RNA)
where:
Base-Base interactions energy: -396.383
where: short stacking energy: -153.746
Base-Backbone interact. energy: -0.809
local terms energy: -150.683520
where:
bonds (distance) C4'-P energy: -27.458
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -29.253
flat angles P-C4'-P energy: -21.678
tors. eta vs tors. theta energy: -48.893
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: 4
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -532.779047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.779047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.779047 (E_RNA)
where:
Base-Base interactions energy: -387.561
where: short stacking energy: -150.249
Base-Backbone interact. energy: -0.720
local terms energy: -144.497950
where:
bonds (distance) C4'-P energy: -24.063
bonds (distance) P-C4' energy: -25.726
flat angles C4'-P-C4' energy: -29.500
flat angles P-C4'-P energy: -19.565
tors. eta vs tors. theta energy: -45.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -519.822429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.822429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.822429 (E_RNA)
where:
Base-Base interactions energy: -374.779
where: short stacking energy: -143.358
Base-Backbone interact. energy: -0.575
local terms energy: -144.468073
where:
bonds (distance) C4'-P energy: -27.045
bonds (distance) P-C4' energy: -22.491
flat angles C4'-P-C4' energy: -30.053
flat angles P-C4'-P energy: -21.706
tors. eta vs tors. theta energy: -43.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -515.542168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.542168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.542168 (E_RNA)
where:
Base-Base interactions energy: -371.364
where: short stacking energy: -147.124
Base-Backbone interact. energy: -0.550
local terms energy: -143.628169
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -23.610
flat angles C4'-P-C4' energy: -31.740
flat angles P-C4'-P energy: -21.761
tors. eta vs tors. theta energy: -46.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -518.936073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.936073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.936073 (E_RNA)
where:
Base-Base interactions energy: -383.658
where: short stacking energy: -147.548
Base-Backbone interact. energy: -0.016
local terms energy: -135.261926
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -18.737
flat angles C4'-P-C4' energy: -33.983
flat angles P-C4'-P energy: -20.132
tors. eta vs tors. theta energy: -44.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -499.594255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.594255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.594255 (E_RNA)
where:
Base-Base interactions energy: -353.227
where: short stacking energy: -140.209
Base-Backbone interact. energy: -0.795
local terms energy: -145.572621
where:
bonds (distance) C4'-P energy: -28.542
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -28.187
flat angles P-C4'-P energy: -19.765
tors. eta vs tors. theta energy: -43.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -497.376347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.376347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.376347 (E_RNA)
where:
Base-Base interactions energy: -359.434
where: short stacking energy: -141.565
Base-Backbone interact. energy: -0.312
local terms energy: -137.630227
where:
bonds (distance) C4'-P energy: -23.812
bonds (distance) P-C4' energy: -27.563
flat angles C4'-P-C4' energy: -25.795
flat angles P-C4'-P energy: -19.465
tors. eta vs tors. theta energy: -40.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -566.211271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.211271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.211271 (E_RNA)
where:
Base-Base interactions energy: -411.880
where: short stacking energy: -165.727
Base-Backbone interact. energy: -1.223
local terms energy: -153.108427
where:
bonds (distance) C4'-P energy: -24.747
bonds (distance) P-C4' energy: -26.223
flat angles C4'-P-C4' energy: -31.797
flat angles P-C4'-P energy: -21.937
tors. eta vs tors. theta energy: -48.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -553.307265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.307265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.307265 (E_RNA)
where:
Base-Base interactions energy: -405.312
where: short stacking energy: -159.984
Base-Backbone interact. energy: -0.120
local terms energy: -147.875287
where:
bonds (distance) C4'-P energy: -21.145
bonds (distance) P-C4' energy: -25.058
flat angles C4'-P-C4' energy: -31.644
flat angles P-C4'-P energy: -22.788
tors. eta vs tors. theta energy: -47.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -552.251645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.251645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.251645 (E_RNA)
where:
Base-Base interactions energy: -398.200
where: short stacking energy: -158.886
Base-Backbone interact. energy: -0.489
local terms energy: -153.562561
where:
bonds (distance) C4'-P energy: -24.386
bonds (distance) P-C4' energy: -32.061
flat angles C4'-P-C4' energy: -31.697
flat angles P-C4'-P energy: -18.517
tors. eta vs tors. theta energy: -46.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -540.726582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.726582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.726582 (E_RNA)
where:
Base-Base interactions energy: -390.275
where: short stacking energy: -156.943
Base-Backbone interact. energy: -1.350
local terms energy: -149.101779
where:
bonds (distance) C4'-P energy: -25.569
bonds (distance) P-C4' energy: -24.188
flat angles C4'-P-C4' energy: -29.666
flat angles P-C4'-P energy: -22.563
tors. eta vs tors. theta energy: -47.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -536.024217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.024217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.024217 (E_RNA)
where:
Base-Base interactions energy: -395.084
where: short stacking energy: -150.151
Base-Backbone interact. energy: -0.062
local terms energy: -140.877799
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -26.194
flat angles C4'-P-C4' energy: -29.965
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -47.392
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: 1
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -527.742129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.742129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.742129 (E_RNA)
where:
Base-Base interactions energy: -378.409
where: short stacking energy: -143.820
Base-Backbone interact. energy: -0.050
local terms energy: -149.283301
where:
bonds (distance) C4'-P energy: -25.197
bonds (distance) P-C4' energy: -23.424
flat angles C4'-P-C4' energy: -32.501
flat angles P-C4'-P energy: -21.732
tors. eta vs tors. theta energy: -46.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -526.411089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.411089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.411089 (E_RNA)
where:
Base-Base interactions energy: -387.970
where: short stacking energy: -153.561
Base-Backbone interact. energy: -0.660
local terms energy: -137.780337
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -29.191
flat angles P-C4'-P energy: -19.480
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: 8, replica: 5
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -490.285276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.285276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.285276 (E_RNA)
where:
Base-Base interactions energy: -361.452
where: short stacking energy: -145.130
Base-Backbone interact. energy: -0.134
local terms energy: -128.698737
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -18.480
flat angles C4'-P-C4' energy: -23.099
flat angles P-C4'-P energy: -23.158
tors. eta vs tors. theta energy: -45.053
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: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -505.351536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.351536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.351536 (E_RNA)
where:
Base-Base interactions energy: -373.998
where: short stacking energy: -145.615
Base-Backbone interact. energy: -0.590
local terms energy: -130.764239
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -21.680
flat angles C4'-P-C4' energy: -25.825
flat angles P-C4'-P energy: -19.181
tors. eta vs tors. theta energy: -43.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -493.788233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.788233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.788233 (E_RNA)
where:
Base-Base interactions energy: -372.172
where: short stacking energy: -145.832
Base-Backbone interact. energy: 0.367
local terms energy: -121.984178
where:
bonds (distance) C4'-P energy: -19.009
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -22.202
flat angles P-C4'-P energy: -20.139
tors. eta vs tors. theta energy: -41.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -565.789463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.789463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.789463 (E_RNA)
where:
Base-Base interactions energy: -415.137
where: short stacking energy: -163.776
Base-Backbone interact. energy: -0.243
local terms energy: -150.410076
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -30.825
flat angles C4'-P-C4' energy: -29.879
flat angles P-C4'-P energy: -19.432
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: 2, replica: 8
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -553.450032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.450032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.450032 (E_RNA)
where:
Base-Base interactions energy: -393.560
where: short stacking energy: -154.112
Base-Backbone interact. energy: -0.399
local terms energy: -159.491125
where:
bonds (distance) C4'-P energy: -30.757
bonds (distance) P-C4' energy: -29.792
flat angles C4'-P-C4' energy: -28.430
flat angles P-C4'-P energy: -24.275
tors. eta vs tors. theta energy: -46.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -559.885743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.885743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.885743 (E_RNA)
where:
Base-Base interactions energy: -407.609
where: short stacking energy: -162.538
Base-Backbone interact. energy: -0.122
local terms energy: -152.154929
where:
bonds (distance) C4'-P energy: -27.737
bonds (distance) P-C4' energy: -20.532
flat angles C4'-P-C4' energy: -30.872
flat angles P-C4'-P energy: -25.347
tors. eta vs tors. theta energy: -47.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -535.723787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.723787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.723787 (E_RNA)
where:
Base-Base interactions energy: -388.161
where: short stacking energy: -143.901
Base-Backbone interact. energy: -1.277
local terms energy: -146.286150
where:
bonds (distance) C4'-P energy: -26.420
bonds (distance) P-C4' energy: -26.845
flat angles C4'-P-C4' energy: -27.247
flat angles P-C4'-P energy: -24.234
tors. eta vs tors. theta energy: -41.539
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: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -533.009539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.009539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.009539 (E_RNA)
where:
Base-Base interactions energy: -380.032
where: short stacking energy: -151.127
Base-Backbone interact. energy: -0.289
local terms energy: -152.688254
where:
bonds (distance) C4'-P energy: -26.378
bonds (distance) P-C4' energy: -28.794
flat angles C4'-P-C4' energy: -28.306
flat angles P-C4'-P energy: -22.432
tors. eta vs tors. theta energy: -46.778
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: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -517.014633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.014633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.014633 (E_RNA)
where:
Base-Base interactions energy: -376.546
where: short stacking energy: -145.412
Base-Backbone interact. energy: -1.324
local terms energy: -139.144371
where:
bonds (distance) C4'-P energy: -23.313
bonds (distance) P-C4' energy: -26.493
flat angles C4'-P-C4' energy: -26.011
flat angles P-C4'-P energy: -20.185
tors. eta vs tors. theta energy: -43.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -509.421251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.421251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.421251 (E_RNA)
where:
Base-Base interactions energy: -378.065
where: short stacking energy: -147.290
Base-Backbone interact. energy: -0.010
local terms energy: -131.346251
where:
bonds (distance) C4'-P energy: -26.173
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -28.225
flat angles P-C4'-P energy: -15.834
tors. eta vs tors. theta energy: -41.131
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: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -522.040123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.040123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.040123 (E_RNA)
where:
Base-Base interactions energy: -382.088
where: short stacking energy: -153.710
Base-Backbone interact. energy: -0.028
local terms energy: -139.923916
where:
bonds (distance) C4'-P energy: -23.815
bonds (distance) P-C4' energy: -26.716
flat angles C4'-P-C4' energy: -29.211
flat angles P-C4'-P energy: -18.589
tors. eta vs tors. theta energy: -41.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -503.477671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.477671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.477671 (E_RNA)
where:
Base-Base interactions energy: -373.565
where: short stacking energy: -142.176
Base-Backbone interact. energy: -0.033
local terms energy: -129.880457
where:
bonds (distance) C4'-P energy: -23.930
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -30.422
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -43.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -493.308064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.308064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.308064 (E_RNA)
where:
Base-Base interactions energy: -353.036
where: short stacking energy: -144.062
Base-Backbone interact. energy: -0.251
local terms energy: -140.021251
where:
bonds (distance) C4'-P energy: -28.667
bonds (distance) P-C4' energy: -22.207
flat angles C4'-P-C4' energy: -25.262
flat angles P-C4'-P energy: -19.850
tors. eta vs tors. theta energy: -44.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -558.732405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.732405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.732405 (E_RNA)
where:
Base-Base interactions energy: -408.867
where: short stacking energy: -158.439
Base-Backbone interact. energy: -0.003
local terms energy: -149.862800
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -26.051
flat angles C4'-P-C4' energy: -32.567
flat angles P-C4'-P energy: -22.779
tors. eta vs tors. theta energy: -45.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -559.385625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.385625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.385625 (E_RNA)
where:
Base-Base interactions energy: -406.137
where: short stacking energy: -157.983
Base-Backbone interact. energy: -0.771
local terms energy: -152.478521
where:
bonds (distance) C4'-P energy: -24.781
bonds (distance) P-C4' energy: -23.009
flat angles C4'-P-C4' energy: -32.455
flat angles P-C4'-P energy: -24.890
tors. eta vs tors. theta energy: -47.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -546.332988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.332988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.332988 (E_RNA)
where:
Base-Base interactions energy: -391.097
where: short stacking energy: -148.743
Base-Backbone interact. energy: -0.002
local terms energy: -155.233589
where:
bonds (distance) C4'-P energy: -26.307
bonds (distance) P-C4' energy: -28.582
flat angles C4'-P-C4' energy: -29.447
flat angles P-C4'-P energy: -22.534
tors. eta vs tors. theta energy: -48.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -535.897092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.897092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.897092 (E_RNA)
where:
Base-Base interactions energy: -386.508
where: short stacking energy: -152.383
Base-Backbone interact. energy: -0.511
local terms energy: -148.878156
where:
bonds (distance) C4'-P energy: -25.830
bonds (distance) P-C4' energy: -26.932
flat angles C4'-P-C4' energy: -30.888
flat angles P-C4'-P energy: -17.843
tors. eta vs tors. theta energy: -47.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -539.393990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.393990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.393990 (E_RNA)
where:
Base-Base interactions energy: -393.405
where: short stacking energy: -160.727
Base-Backbone interact. energy: -0.704
local terms energy: -145.285087
where:
bonds (distance) C4'-P energy: -21.687
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -29.398
flat angles P-C4'-P energy: -22.733
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: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -525.793232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.793232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.793232 (E_RNA)
where:
Base-Base interactions energy: -390.179
where: short stacking energy: -150.555
Base-Backbone interact. energy: -0.794
local terms energy: -134.819948
where:
bonds (distance) C4'-P energy: -22.156
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -27.780
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -45.566
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: 9
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -503.566749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.566749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.566749 (E_RNA)
where:
Base-Base interactions energy: -371.625
where: short stacking energy: -146.977
Base-Backbone interact. energy: 0.570
local terms energy: -132.511160
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -20.909
flat angles C4'-P-C4' energy: -28.276
flat angles P-C4'-P energy: -20.374
tors. eta vs tors. theta energy: -42.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -513.519454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.519454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.519454 (E_RNA)
where:
Base-Base interactions energy: -373.598
where: short stacking energy: -144.668
Base-Backbone interact. energy: 1.298
local terms energy: -141.219966
where:
bonds (distance) C4'-P energy: -26.828
bonds (distance) P-C4' energy: -27.586
flat angles C4'-P-C4' energy: -26.864
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -43.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -482.950421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.950421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.950421 (E_RNA)
where:
Base-Base interactions energy: -345.612
where: short stacking energy: -139.960
Base-Backbone interact. energy: -0.123
local terms energy: -137.215405
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -24.700
flat angles C4'-P-C4' energy: -28.862
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: -40.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -494.757619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.757619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.757619 (E_RNA)
where:
Base-Base interactions energy: -371.742
where: short stacking energy: -145.850
Base-Backbone interact. energy: -0.112
local terms energy: -122.904204
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -26.643
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -43.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -556.914338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.914338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.914338 (E_RNA)
where:
Base-Base interactions energy: -408.246
where: short stacking energy: -160.138
Base-Backbone interact. energy: -0.499
local terms energy: -148.169700
where:
bonds (distance) C4'-P energy: -24.924
bonds (distance) P-C4' energy: -30.848
flat angles C4'-P-C4' energy: -29.503
flat angles P-C4'-P energy: -18.127
tors. eta vs tors. theta energy: -44.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -550.419966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.419966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.419966 (E_RNA)
where:
Base-Base interactions energy: -406.823
where: short stacking energy: -154.833
Base-Backbone interact. energy: -0.938
local terms energy: -142.659006
where:
bonds (distance) C4'-P energy: -23.011
bonds (distance) P-C4' energy: -28.620
flat angles C4'-P-C4' energy: -29.052
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -43.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -548.621279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.621279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.621279 (E_RNA)
where:
Base-Base interactions energy: -393.544
where: short stacking energy: -153.749
Base-Backbone interact. energy: -0.635
local terms energy: -154.442425
where:
bonds (distance) C4'-P energy: -28.931
bonds (distance) P-C4' energy: -27.490
flat angles C4'-P-C4' energy: -30.918
flat angles P-C4'-P energy: -20.101
tors. eta vs tors. theta energy: -47.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -541.222352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.222352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.222352 (E_RNA)
where:
Base-Base interactions energy: -401.266
where: short stacking energy: -156.057
Base-Backbone interact. energy: -0.277
local terms energy: -139.678976
where:
bonds (distance) C4'-P energy: -23.781
bonds (distance) P-C4' energy: -22.495
flat angles C4'-P-C4' energy: -26.300
flat angles P-C4'-P energy: -20.128
tors. eta vs tors. theta energy: -46.975
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: 1
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -535.363441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.363441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.363441 (E_RNA)
where:
Base-Base interactions energy: -378.745
where: short stacking energy: -148.713
Base-Backbone interact. energy: -0.004
local terms energy: -156.614873
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -27.673
flat angles C4'-P-C4' energy: -31.683
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: -47.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -518.352177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.352177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.352177 (E_RNA)
where:
Base-Base interactions energy: -369.723
where: short stacking energy: -142.360
Base-Backbone interact. energy: -0.267
local terms energy: -148.363022
where:
bonds (distance) C4'-P energy: -18.586
bonds (distance) P-C4' energy: -27.758
flat angles C4'-P-C4' energy: -30.589
flat angles P-C4'-P energy: -24.480
tors. eta vs tors. theta energy: -46.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -524.190750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.190750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.190750 (E_RNA)
where:
Base-Base interactions energy: -383.309
where: short stacking energy: -144.276
Base-Backbone interact. energy: -0.008
local terms energy: -140.874198
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -28.159
flat angles C4'-P-C4' energy: -28.624
flat angles P-C4'-P energy: -22.962
tors. eta vs tors. theta energy: -42.754
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: 9
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -516.128439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.128439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.128439 (E_RNA)
where:
Base-Base interactions energy: -379.508
where: short stacking energy: -142.754
Base-Backbone interact. energy: -0.956
local terms energy: -135.664835
where:
bonds (distance) C4'-P energy: -25.627
bonds (distance) P-C4' energy: -28.311
flat angles C4'-P-C4' energy: -27.273
flat angles P-C4'-P energy: -13.038
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: 9, replica: 6
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -511.194619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.194619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.194619 (E_RNA)
where:
Base-Base interactions energy: -367.170
where: short stacking energy: -138.475
Base-Backbone interact. energy: -1.155
local terms energy: -142.869655
where:
bonds (distance) C4'-P energy: -24.847
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -27.625
flat angles P-C4'-P energy: -22.678
tors. eta vs tors. theta energy: -45.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -499.138133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.138133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.138133 (E_RNA)
where:
Base-Base interactions energy: -361.791
where: short stacking energy: -144.186
Base-Backbone interact. energy: -0.017
local terms energy: -137.329675
where:
bonds (distance) C4'-P energy: -24.300
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -30.522
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -46.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -565.305150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.305150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.305150 (E_RNA)
where:
Base-Base interactions energy: -408.632
where: short stacking energy: -162.400
Base-Backbone interact. energy: -1.815
local terms energy: -154.858133
where:
bonds (distance) C4'-P energy: -26.506
bonds (distance) P-C4' energy: -28.949
flat angles C4'-P-C4' energy: -30.151
flat angles P-C4'-P energy: -21.465
tors. eta vs tors. theta energy: -47.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -558.573030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.573030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.573030 (E_RNA)
where:
Base-Base interactions energy: -399.110
where: short stacking energy: -158.141
Base-Backbone interact. energy: -2.012
local terms energy: -157.450580
where:
bonds (distance) C4'-P energy: -29.636
bonds (distance) P-C4' energy: -26.447
flat angles C4'-P-C4' energy: -29.004
flat angles P-C4'-P energy: -25.314
tors. eta vs tors. theta energy: -47.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -550.589926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.589926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.589926 (E_RNA)
where:
Base-Base interactions energy: -401.995
where: short stacking energy: -162.234
Base-Backbone interact. energy: -0.798
local terms energy: -147.796930
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -21.689
flat angles C4'-P-C4' energy: -32.943
flat angles P-C4'-P energy: -23.658
tors. eta vs tors. theta energy: -46.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -549.513776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.513776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.513776 (E_RNA)
where:
Base-Base interactions energy: -404.464
where: short stacking energy: -158.980
Base-Backbone interact. energy: -0.220
local terms energy: -144.830485
where:
bonds (distance) C4'-P energy: -24.064
bonds (distance) P-C4' energy: -18.732
flat angles C4'-P-C4' energy: -29.690
flat angles P-C4'-P energy: -26.507
tors. eta vs tors. theta energy: -45.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -522.299903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.299903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.299903 (E_RNA)
where:
Base-Base interactions energy: -381.355
where: short stacking energy: -144.704
Base-Backbone interact. energy: -0.582
local terms energy: -140.363590
where:
bonds (distance) C4'-P energy: -24.875
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -30.300
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -44.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -522.234119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.234119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.234119 (E_RNA)
where:
Base-Base interactions energy: -388.040
where: short stacking energy: -147.895
Base-Backbone interact. energy: -0.051
local terms energy: -134.143662
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -23.442
flat angles C4'-P-C4' energy: -31.358
flat angles P-C4'-P energy: -18.977
tors. eta vs tors. theta energy: -42.219
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: 487
Temperature: 1.200000
Total energy: -523.440834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.440834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.440834 (E_RNA)
where:
Base-Base interactions energy: -387.543
where: short stacking energy: -151.206
Base-Backbone interact. energy: -1.164
local terms energy: -134.733293
where:
bonds (distance) C4'-P energy: -25.011
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -25.800
flat angles P-C4'-P energy: -19.913
tors. eta vs tors. theta energy: -42.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -504.970696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.970696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.970696 (E_RNA)
where:
Base-Base interactions energy: -374.298
where: short stacking energy: -142.614
Base-Backbone interact. energy: -0.026
local terms energy: -130.646819
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -23.692
flat angles C4'-P-C4' energy: -27.620
flat angles P-C4'-P energy: -19.090
tors. eta vs tors. theta energy: -42.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -500.369058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.369058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.369058 (E_RNA)
where:
Base-Base interactions energy: -360.634
where: short stacking energy: -138.109
Base-Backbone interact. energy: -0.023
local terms energy: -139.712601
where:
bonds (distance) C4'-P energy: -24.079
bonds (distance) P-C4' energy: -20.524
flat angles C4'-P-C4' energy: -29.548
flat angles P-C4'-P energy: -19.130
tors. eta vs tors. theta energy: -46.432
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: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -500.405154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.405154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.405154 (E_RNA)
where:
Base-Base interactions energy: -365.674
where: short stacking energy: -138.490
Base-Backbone interact. energy: -0.025
local terms energy: -134.706860
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -27.329
flat angles C4'-P-C4' energy: -27.643
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -38.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -564.398877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.398877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.398877 (E_RNA)
where:
Base-Base interactions energy: -402.671
where: short stacking energy: -156.680
Base-Backbone interact. energy: -1.287
local terms energy: -160.440901
where:
bonds (distance) C4'-P energy: -28.402
bonds (distance) P-C4' energy: -30.868
flat angles C4'-P-C4' energy: -31.882
flat angles P-C4'-P energy: -23.743
tors. eta vs tors. theta energy: -45.547
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: 488
Temperature: 0.950000
Total energy: -549.529566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.529566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.529566 (E_RNA)
where:
Base-Base interactions energy: -395.679
where: short stacking energy: -149.684
Base-Backbone interact. energy: -1.082
local terms energy: -152.768413
where:
bonds (distance) C4'-P energy: -24.878
bonds (distance) P-C4' energy: -30.235
flat angles C4'-P-C4' energy: -31.469
flat angles P-C4'-P energy: -20.858
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: 3, replica: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -547.017038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.017038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.017038 (E_RNA)
where:
Base-Base interactions energy: -401.934
where: short stacking energy: -154.778
Base-Backbone interact. energy: -0.001
local terms energy: -145.082413
where:
bonds (distance) C4'-P energy: -23.455
bonds (distance) P-C4' energy: -22.953
flat angles C4'-P-C4' energy: -32.455
flat angles P-C4'-P energy: -19.066
tors. eta vs tors. theta energy: -47.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -546.157100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.157100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.157100 (E_RNA)
where:
Base-Base interactions energy: -394.462
where: short stacking energy: -150.940
Base-Backbone interact. energy: -1.403
local terms energy: -150.292951
where:
bonds (distance) C4'-P energy: -25.824
bonds (distance) P-C4' energy: -25.294
flat angles C4'-P-C4' energy: -28.669
flat angles P-C4'-P energy: -25.686
tors. eta vs tors. theta energy: -44.821
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: 5, replica: 8
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -543.564853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.564853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.564853 (E_RNA)
where:
Base-Base interactions energy: -390.510
where: short stacking energy: -152.447
Base-Backbone interact. energy: -0.280
local terms energy: -152.774686
where:
bonds (distance) C4'-P energy: -21.232
bonds (distance) P-C4' energy: -29.409
flat angles C4'-P-C4' energy: -32.032
flat angles P-C4'-P energy: -24.890
tors. eta vs tors. theta energy: -45.211
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: 6, replica: 5
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -534.177816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.177816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.177816 (E_RNA)
where:
Base-Base interactions energy: -388.213
where: short stacking energy: -147.000
Base-Backbone interact. energy: -0.841
local terms energy: -145.123352
where:
bonds (distance) C4'-P energy: -27.355
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -32.091
flat angles P-C4'-P energy: -21.904
tors. eta vs tors. theta energy: -45.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -514.279809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.279809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.279809 (E_RNA)
where:
Base-Base interactions energy: -370.633
where: short stacking energy: -144.759
Base-Backbone interact. energy: 0.172
local terms energy: -143.818839
where:
bonds (distance) C4'-P energy: -24.709
bonds (distance) P-C4' energy: -31.013
flat angles C4'-P-C4' energy: -27.728
flat angles P-C4'-P energy: -20.588
tors. eta vs tors. theta energy: -39.781
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: 6
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -506.449685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.449685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.449685 (E_RNA)
where:
Base-Base interactions energy: -373.853
where: short stacking energy: -143.433
Base-Backbone interact. energy: -0.163
local terms energy: -132.433231
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -27.637
flat angles C4'-P-C4' energy: -27.069
flat angles P-C4'-P energy: -19.603
tors. eta vs tors. theta energy: -42.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -488.388698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.388698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.388698 (E_RNA)
where:
Base-Base interactions energy: -359.676
where: short stacking energy: -138.221
Base-Backbone interact. energy: -0.602
local terms energy: -128.110901
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -23.522
flat angles C4'-P-C4' energy: -27.676
flat angles P-C4'-P energy: -20.312
tors. eta vs tors. theta energy: -38.652
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: 488
Temperature: 1.350000
Total energy: -482.537986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.537986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.537986 (E_RNA)
where:
Base-Base interactions energy: -347.789
where: short stacking energy: -140.303
Base-Backbone interact. energy: -0.012
local terms energy: -134.737252
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -28.221
flat angles C4'-P-C4' energy: -26.629
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -43.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -560.912893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.912893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.912893 (E_RNA)
where:
Base-Base interactions energy: -397.957
where: short stacking energy: -152.842
Base-Backbone interact. energy: -0.014
local terms energy: -162.942453
where:
bonds (distance) C4'-P energy: -31.436
bonds (distance) P-C4' energy: -31.376
flat angles C4'-P-C4' energy: -27.743
flat angles P-C4'-P energy: -25.694
tors. eta vs tors. theta energy: -46.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -545.846025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.846025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.846025 (E_RNA)
where:
Base-Base interactions energy: -403.003
where: short stacking energy: -161.453
Base-Backbone interact. energy: -0.128
local terms energy: -142.714800
where:
bonds (distance) C4'-P energy: -24.916
bonds (distance) P-C4' energy: -25.082
flat angles C4'-P-C4' energy: -25.071
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: -48.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -547.989009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.989009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.989009 (E_RNA)
where:
Base-Base interactions energy: -396.318
where: short stacking energy: -154.965
Base-Backbone interact. energy: -1.505
local terms energy: -150.166855
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -28.738
flat angles C4'-P-C4' energy: -25.433
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -48.367
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: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -537.983144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.983144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.983144 (E_RNA)
where:
Base-Base interactions energy: -391.663
where: short stacking energy: -150.522
Base-Backbone interact. energy: -0.004
local terms energy: -146.315929
where:
bonds (distance) C4'-P energy: -28.443
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -28.942
flat angles P-C4'-P energy: -23.306
tors. eta vs tors. theta energy: -43.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -539.518889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.518889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.518889 (E_RNA)
where:
Base-Base interactions energy: -393.386
where: short stacking energy: -151.915
Base-Backbone interact. energy: -0.433
local terms energy: -145.699618
where:
bonds (distance) C4'-P energy: -23.965
bonds (distance) P-C4' energy: -23.491
flat angles C4'-P-C4' energy: -31.830
flat angles P-C4'-P energy: -19.204
tors. eta vs tors. theta energy: -47.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -523.673935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.673935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.673935 (E_RNA)
where:
Base-Base interactions energy: -384.295
where: short stacking energy: -144.749
Base-Backbone interact. energy: -0.396
local terms energy: -138.982805
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -24.944
flat angles C4'-P-C4' energy: -27.777
flat angles P-C4'-P energy: -21.534
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: 7, replica: 5
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -527.447582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.447582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.447582 (E_RNA)
where:
Base-Base interactions energy: -380.798
where: short stacking energy: -151.642
Base-Backbone interact. energy: -0.303
local terms energy: -146.346112
where:
bonds (distance) C4'-P energy: -22.482
bonds (distance) P-C4' energy: -25.627
flat angles C4'-P-C4' energy: -30.622
flat angles P-C4'-P energy: -20.885
tors. eta vs tors. theta energy: -46.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -505.413186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.413186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.413186 (E_RNA)
where:
Base-Base interactions energy: -374.021
where: short stacking energy: -143.531
Base-Backbone interact. energy: -0.980
local terms energy: -130.412104
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -19.884
flat angles C4'-P-C4' energy: -28.382
flat angles P-C4'-P energy: -18.732
tors. eta vs tors. theta energy: -42.451
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: 489
Temperature: 1.300000
Total energy: -519.640762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.640762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.640762 (E_RNA)
where:
Base-Base interactions energy: -384.770
where: short stacking energy: -157.411
Base-Backbone interact. energy: -0.003
local terms energy: -134.867929
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -27.204
flat angles P-C4'-P energy: -20.957
tors. eta vs tors. theta energy: -45.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -482.703002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.703002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.703002 (E_RNA)
where:
Base-Base interactions energy: -361.323
where: short stacking energy: -128.084
Base-Backbone interact. energy: -0.015
local terms energy: -121.365077
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -27.876
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -41.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -557.457043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.457043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.457043 (E_RNA)
where:
Base-Base interactions energy: -401.205
where: short stacking energy: -156.163
Base-Backbone interact. energy: -0.181
local terms energy: -156.071850
where:
bonds (distance) C4'-P energy: -26.966
bonds (distance) P-C4' energy: -31.254
flat angles C4'-P-C4' energy: -31.146
flat angles P-C4'-P energy: -20.530
tors. eta vs tors. theta energy: -46.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -549.928521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.928521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.928521 (E_RNA)
where:
Base-Base interactions energy: -399.973
where: short stacking energy: -154.839
Base-Backbone interact. energy: -0.379
local terms energy: -149.577064
where:
bonds (distance) C4'-P energy: -27.153
bonds (distance) P-C4' energy: -26.854
flat angles C4'-P-C4' energy: -31.731
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -45.104
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: 8
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -555.071235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.071235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.071235 (E_RNA)
where:
Base-Base interactions energy: -402.934
where: short stacking energy: -159.997
Base-Backbone interact. energy: -0.766
local terms energy: -151.371109
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -32.094
flat angles C4'-P-C4' energy: -27.435
flat angles P-C4'-P energy: -23.172
tors. eta vs tors. theta energy: -46.104
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: 4, replica: 3
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -536.035604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.035604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.035604 (E_RNA)
where:
Base-Base interactions energy: -385.934
where: short stacking energy: -150.439
Base-Backbone interact. energy: -0.240
local terms energy: -149.861989
where:
bonds (distance) C4'-P energy: -23.940
bonds (distance) P-C4' energy: -28.081
flat angles C4'-P-C4' energy: -32.811
flat angles P-C4'-P energy: -18.992
tors. eta vs tors. theta energy: -46.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -537.522993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.522993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.522993 (E_RNA)
where:
Base-Base interactions energy: -389.904
where: short stacking energy: -147.412
Base-Backbone interact. energy: -1.337
local terms energy: -146.282110
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -26.233
flat angles C4'-P-C4' energy: -31.162
flat angles P-C4'-P energy: -21.446
tors. eta vs tors. theta energy: -44.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -522.214262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.214262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.214262 (E_RNA)
where:
Base-Base interactions energy: -387.425
where: short stacking energy: -145.871
Base-Backbone interact. energy: -0.080
local terms energy: -134.709700
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -22.642
flat angles C4'-P-C4' energy: -25.793
flat angles P-C4'-P energy: -19.307
tors. eta vs tors. theta energy: -45.371
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: 7, replica: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -521.128163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.128163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.128163 (E_RNA)
where:
Base-Base interactions energy: -373.688
where: short stacking energy: -143.202
Base-Backbone interact. energy: -0.642
local terms energy: -146.798573
where:
bonds (distance) C4'-P energy: -29.748
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -28.378
flat angles P-C4'-P energy: -19.279
tors. eta vs tors. theta energy: -46.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -518.657125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.657125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.657125 (E_RNA)
where:
Base-Base interactions energy: -382.066
where: short stacking energy: -147.421
Base-Backbone interact. energy: 0.038
local terms energy: -136.629869
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -32.669
flat angles P-C4'-P energy: -24.770
tors. eta vs tors. theta energy: -45.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -518.566559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.566559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.566559 (E_RNA)
where:
Base-Base interactions energy: -381.623
where: short stacking energy: -149.690
Base-Backbone interact. energy: 0.594
local terms energy: -137.537666
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -24.925
flat angles C4'-P-C4' energy: -31.044
flat angles P-C4'-P energy: -22.430
tors. eta vs tors. theta energy: -40.915
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: 10
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -476.812948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.812948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.812948 (E_RNA)
where:
Base-Base interactions energy: -354.853
where: short stacking energy: -138.306
Base-Backbone interact. energy: -1.647
local terms energy: -120.312620
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -10.575
flat angles C4'-P-C4' energy: -25.687
flat angles P-C4'-P energy: -19.759
tors. eta vs tors. theta energy: -43.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -563.696131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.696131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.696131 (E_RNA)
where:
Base-Base interactions energy: -408.074
where: short stacking energy: -159.608
Base-Backbone interact. energy: -0.392
local terms energy: -155.229522
where:
bonds (distance) C4'-P energy: -28.536
bonds (distance) P-C4' energy: -29.192
flat angles C4'-P-C4' energy: -30.838
flat angles P-C4'-P energy: -20.862
tors. eta vs tors. theta energy: -45.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -554.003380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.003380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.003380 (E_RNA)
where:
Base-Base interactions energy: -400.745
where: short stacking energy: -160.550
Base-Backbone interact. energy: -1.731
local terms energy: -151.527131
where:
bonds (distance) C4'-P energy: -25.653
bonds (distance) P-C4' energy: -27.944
flat angles C4'-P-C4' energy: -25.855
flat angles P-C4'-P energy: -25.363
tors. eta vs tors. theta energy: -46.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -543.448666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.448666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.448666 (E_RNA)
where:
Base-Base interactions energy: -391.255
where: short stacking energy: -153.218
Base-Backbone interact. energy: -1.869
local terms energy: -150.325072
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -25.076
flat angles C4'-P-C4' energy: -31.768
flat angles P-C4'-P energy: -24.772
tors. eta vs tors. theta energy: -46.798
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: 491
Temperature: 1.050000
Total energy: -539.582733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.582733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.582733 (E_RNA)
where:
Base-Base interactions energy: -385.696
where: short stacking energy: -143.785
Base-Backbone interact. energy: 0.286
local terms energy: -154.173481
where:
bonds (distance) C4'-P energy: -23.312
bonds (distance) P-C4' energy: -31.931
flat angles C4'-P-C4' energy: -33.803
flat angles P-C4'-P energy: -20.615
tors. eta vs tors. theta energy: -44.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -522.892992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.892992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.892992 (E_RNA)
where:
Base-Base interactions energy: -377.663
where: short stacking energy: -143.556
Base-Backbone interact. energy: -1.619
local terms energy: -143.610396
where:
bonds (distance) C4'-P energy: -22.865
bonds (distance) P-C4' energy: -27.704
flat angles C4'-P-C4' energy: -29.117
flat angles P-C4'-P energy: -21.526
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: 6, replica: 5
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -526.131223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.131223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.131223 (E_RNA)
where:
Base-Base interactions energy: -384.432
where: short stacking energy: -153.533
Base-Backbone interact. energy: -0.280
local terms energy: -141.419230
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -24.063
flat angles C4'-P-C4' energy: -29.563
flat angles P-C4'-P energy: -20.638
tors. eta vs tors. theta energy: -47.749
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: 7, replica: 1
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -506.148349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.148349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.148349 (E_RNA)
where:
Base-Base interactions energy: -371.288
where: short stacking energy: -139.603
Base-Backbone interact. energy: -0.010
local terms energy: -134.850702
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -25.714
flat angles C4'-P-C4' energy: -29.701
flat angles P-C4'-P energy: -18.383
tors. eta vs tors. theta energy: -45.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -509.396849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.396849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.396849 (E_RNA)
where:
Base-Base interactions energy: -376.724
where: short stacking energy: -143.544
Base-Backbone interact. energy: -0.012
local terms energy: -132.661191
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -26.295
flat angles P-C4'-P energy: -17.722
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: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -502.614422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.614422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.614422 (E_RNA)
where:
Base-Base interactions energy: -370.349
where: short stacking energy: -142.798
Base-Backbone interact. energy: -0.035
local terms energy: -132.230161
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -25.931
flat angles C4'-P-C4' energy: -22.981
flat angles P-C4'-P energy: -21.620
tors. eta vs tors. theta energy: -43.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -491.839332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.839332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.839332 (E_RNA)
where:
Base-Base interactions energy: -347.656
where: short stacking energy: -129.752
Base-Backbone interact. energy: -0.042
local terms energy: -144.141007
where:
bonds (distance) C4'-P energy: -26.033
bonds (distance) P-C4' energy: -28.592
flat angles C4'-P-C4' energy: -24.491
flat angles P-C4'-P energy: -22.297
tors. eta vs tors. theta energy: -42.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -568.068219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.068219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.068219 (E_RNA)
where:
Base-Base interactions energy: -411.541
where: short stacking energy: -165.095
Base-Backbone interact. energy: -0.001
local terms energy: -156.525665
where:
bonds (distance) C4'-P energy: -25.116
bonds (distance) P-C4' energy: -30.534
flat angles C4'-P-C4' energy: -32.437
flat angles P-C4'-P energy: -21.695
tors. eta vs tors. theta energy: -46.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -550.110926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.110926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.110926 (E_RNA)
where:
Base-Base interactions energy: -393.728
where: short stacking energy: -156.841
Base-Backbone interact. energy: -0.004
local terms energy: -156.379082
where:
bonds (distance) C4'-P energy: -28.871
bonds (distance) P-C4' energy: -27.824
flat angles C4'-P-C4' energy: -27.626
flat angles P-C4'-P energy: -25.013
tors. eta vs tors. theta energy: -47.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -543.547216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.547216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.547216 (E_RNA)
where:
Base-Base interactions energy: -393.447
where: short stacking energy: -151.483
Base-Backbone interact. energy: -0.001
local terms energy: -150.099508
where:
bonds (distance) C4'-P energy: -26.986
bonds (distance) P-C4' energy: -30.469
flat angles C4'-P-C4' energy: -24.744
flat angles P-C4'-P energy: -22.825
tors. eta vs tors. theta energy: -45.076
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: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -545.698660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.698660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.698660 (E_RNA)
where:
Base-Base interactions energy: -393.204
where: short stacking energy: -153.076
Base-Backbone interact. energy: -0.157
local terms energy: -152.338359
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -30.024
flat angles C4'-P-C4' energy: -32.456
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -46.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -530.504326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.504326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.504326 (E_RNA)
where:
Base-Base interactions energy: -393.599
where: short stacking energy: -153.528
Base-Backbone interact. energy: -0.660
local terms energy: -136.244948
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -23.022
flat angles P-C4'-P energy: -22.379
tors. eta vs tors. theta energy: -45.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -528.066280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.066280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.066280 (E_RNA)
where:
Base-Base interactions energy: -393.155
where: short stacking energy: -149.382
Base-Backbone interact. energy: -1.596
local terms energy: -133.315054
where:
bonds (distance) C4'-P energy: -25.992
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -23.942
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: -45.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -517.642409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.642409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.642409 (E_RNA)
where:
Base-Base interactions energy: -378.803
where: short stacking energy: -145.884
Base-Backbone interact. energy: -1.127
local terms energy: -137.712224
where:
bonds (distance) C4'-P energy: -23.321
bonds (distance) P-C4' energy: -22.434
flat angles C4'-P-C4' energy: -30.574
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -43.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -509.885541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.885541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.885541 (E_RNA)
where:
Base-Base interactions energy: -379.940
where: short stacking energy: -142.859
Base-Backbone interact. energy: -0.450
local terms energy: -129.495682
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -24.911
flat angles C4'-P-C4' energy: -25.267
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -45.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -507.394262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.394262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.394262 (E_RNA)
where:
Base-Base interactions energy: -363.676
where: short stacking energy: -145.361
Base-Backbone interact. energy: -0.080
local terms energy: -143.637870
where:
bonds (distance) C4'-P energy: -30.091
bonds (distance) P-C4' energy: -22.559
flat angles C4'-P-C4' energy: -31.000
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: -40.564
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: 492
Temperature: 1.350000
Total energy: -491.874424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.874424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.874424 (E_RNA)
where:
Base-Base interactions energy: -354.734
where: short stacking energy: -139.882
Base-Backbone interact. energy: -0.386
local terms energy: -136.754539
where:
bonds (distance) C4'-P energy: -23.244
bonds (distance) P-C4' energy: -23.807
flat angles C4'-P-C4' energy: -24.531
flat angles P-C4'-P energy: -18.663
tors. eta vs tors. theta energy: -46.511
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: 493
Temperature: 0.900000
Total energy: -559.055470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.055470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.055470 (E_RNA)
where:
Base-Base interactions energy: -405.767
where: short stacking energy: -160.250
Base-Backbone interact. energy: -0.872
local terms energy: -152.416157
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -29.314
flat angles C4'-P-C4' energy: -34.266
flat angles P-C4'-P energy: -20.491
tors. eta vs tors. theta energy: -46.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -558.872025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.872025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.872025 (E_RNA)
where:
Base-Base interactions energy: -412.331
where: short stacking energy: -159.911
Base-Backbone interact. energy: -1.086
local terms energy: -145.455811
where:
bonds (distance) C4'-P energy: -23.152
bonds (distance) P-C4' energy: -23.455
flat angles C4'-P-C4' energy: -30.379
flat angles P-C4'-P energy: -22.296
tors. eta vs tors. theta energy: -46.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -545.377829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.377829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.377829 (E_RNA)
where:
Base-Base interactions energy: -396.342
where: short stacking energy: -154.196
Base-Backbone interact. energy: 0.042
local terms energy: -149.077702
where:
bonds (distance) C4'-P energy: -24.483
bonds (distance) P-C4' energy: -25.932
flat angles C4'-P-C4' energy: -27.479
flat angles P-C4'-P energy: -24.168
tors. eta vs tors. theta energy: -47.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -546.050645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.050645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.050645 (E_RNA)
where:
Base-Base interactions energy: -396.657
where: short stacking energy: -150.723
Base-Backbone interact. energy: -0.067
local terms energy: -149.325984
where:
bonds (distance) C4'-P energy: -24.248
bonds (distance) P-C4' energy: -24.890
flat angles C4'-P-C4' energy: -31.677
flat angles P-C4'-P energy: -22.753
tors. eta vs tors. theta energy: -45.758
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: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -549.002099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.002099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.002099 (E_RNA)
where:
Base-Base interactions energy: -395.382
where: short stacking energy: -153.887
Base-Backbone interact. energy: -0.461
local terms energy: -153.159638
where:
bonds (distance) C4'-P energy: -25.973
bonds (distance) P-C4' energy: -28.174
flat angles C4'-P-C4' energy: -33.053
flat angles P-C4'-P energy: -20.445
tors. eta vs tors. theta energy: -45.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -526.816108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.816108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.816108 (E_RNA)
where:
Base-Base interactions energy: -384.467
where: short stacking energy: -153.977
Base-Backbone interact. energy: -0.853
local terms energy: -141.496494
where:
bonds (distance) C4'-P energy: -24.735
bonds (distance) P-C4' energy: -20.536
flat angles C4'-P-C4' energy: -31.511
flat angles P-C4'-P energy: -20.364
tors. eta vs tors. theta energy: -44.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -525.443647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.443647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.443647 (E_RNA)
where:
Base-Base interactions energy: -379.295
where: short stacking energy: -146.085
Base-Backbone interact. energy: -0.001
local terms energy: -146.147839
where:
bonds (distance) C4'-P energy: -20.540
bonds (distance) P-C4' energy: -32.603
flat angles C4'-P-C4' energy: -24.012
flat angles P-C4'-P energy: -23.008
tors. eta vs tors. theta energy: -45.985
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: 9
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -521.786751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.786751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.786751 (E_RNA)
where:
Base-Base interactions energy: -389.859
where: short stacking energy: -150.757
Base-Backbone interact. energy: -0.475
local terms energy: -131.452573
where:
bonds (distance) C4'-P energy: -25.999
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -24.475
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -45.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -502.092139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.092139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.092139 (E_RNA)
where:
Base-Base interactions energy: -358.311
where: short stacking energy: -136.582
Base-Backbone interact. energy: 2.621
local terms energy: -146.402003
where:
bonds (distance) C4'-P energy: -26.688
bonds (distance) P-C4' energy: -27.364
flat angles C4'-P-C4' energy: -29.316
flat angles P-C4'-P energy: -22.791
tors. eta vs tors. theta energy: -40.244
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: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -497.173231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.173231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.173231 (E_RNA)
where:
Base-Base interactions energy: -368.152
where: short stacking energy: -140.208
Base-Backbone interact. energy: -0.012
local terms energy: -129.009084
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -23.523
flat angles C4'-P-C4' energy: -27.132
flat angles P-C4'-P energy: -17.093
tors. eta vs tors. theta energy: -42.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -559.725463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.725463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.725463 (E_RNA)
where:
Base-Base interactions energy: -400.104
where: short stacking energy: -155.250
Base-Backbone interact. energy: -0.364
local terms energy: -159.257828
where:
bonds (distance) C4'-P energy: -28.530
bonds (distance) P-C4' energy: -27.571
flat angles C4'-P-C4' energy: -31.589
flat angles P-C4'-P energy: -26.549
tors. eta vs tors. theta energy: -45.020
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: 4
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -559.230134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.230134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.230134 (E_RNA)
where:
Base-Base interactions energy: -401.957
where: short stacking energy: -155.661
Base-Backbone interact. energy: -1.977
local terms energy: -155.296258
where:
bonds (distance) C4'-P energy: -25.295
bonds (distance) P-C4' energy: -26.649
flat angles C4'-P-C4' energy: -33.518
flat angles P-C4'-P energy: -23.479
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: 3, replica: 2
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -551.128847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.128847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.128847 (E_RNA)
where:
Base-Base interactions energy: -401.829
where: short stacking energy: -156.940
Base-Backbone interact. energy: -0.069
local terms energy: -149.230174
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -27.862
flat angles C4'-P-C4' energy: -33.778
flat angles P-C4'-P energy: -20.233
tors. eta vs tors. theta energy: -46.320
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: 7
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -535.527584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.527584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.527584 (E_RNA)
where:
Base-Base interactions energy: -388.879
where: short stacking energy: -146.837
Base-Backbone interact. energy: -0.562
local terms energy: -146.086808
where:
bonds (distance) C4'-P energy: -26.279
bonds (distance) P-C4' energy: -24.101
flat angles C4'-P-C4' energy: -31.131
flat angles P-C4'-P energy: -20.008
tors. eta vs tors. theta energy: -44.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -540.290854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.290854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.290854 (E_RNA)
where:
Base-Base interactions energy: -386.552
where: short stacking energy: -158.041
Base-Backbone interact. energy: -0.291
local terms energy: -153.447895
where:
bonds (distance) C4'-P energy: -25.591
bonds (distance) P-C4' energy: -27.532
flat angles C4'-P-C4' energy: -30.613
flat angles P-C4'-P energy: -20.060
tors. eta vs tors. theta energy: -49.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -520.551396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.551396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.551396 (E_RNA)
where:
Base-Base interactions energy: -390.534
where: short stacking energy: -154.622
Base-Backbone interact. energy: -0.400
local terms energy: -129.616973
where:
bonds (distance) C4'-P energy: -23.319
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -29.681
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -42.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -525.210732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.210732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.210732 (E_RNA)
where:
Base-Base interactions energy: -379.540
where: short stacking energy: -161.744
Base-Backbone interact. energy: -0.008
local terms energy: -145.662459
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -29.956
flat angles C4'-P-C4' energy: -31.337
flat angles P-C4'-P energy: -19.587
tors. eta vs tors. theta energy: -46.185
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: 8, replica: 9
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -511.624549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.624549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.624549 (E_RNA)
where:
Base-Base interactions energy: -386.294
where: short stacking energy: -152.024
Base-Backbone interact. energy: -0.306
local terms energy: -125.024695
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -42.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -505.344864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.344864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.344864 (E_RNA)
where:
Base-Base interactions energy: -366.323
where: short stacking energy: -145.440
Base-Backbone interact. energy: -0.397
local terms energy: -138.625643
where:
bonds (distance) C4'-P energy: -22.450
bonds (distance) P-C4' energy: -28.675
flat angles C4'-P-C4' energy: -28.702
flat angles P-C4'-P energy: -12.765
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: 10, replica: 6
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -501.317351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.317351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.317351 (E_RNA)
where:
Base-Base interactions energy: -384.317
where: short stacking energy: -147.413
Base-Backbone interact. energy: -0.001
local terms energy: -116.999679
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -26.336
flat angles P-C4'-P energy: -15.535
tors. eta vs tors. theta energy: -44.421
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: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -563.604635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.604635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.604635 (E_RNA)
where:
Base-Base interactions energy: -400.714
where: short stacking energy: -158.938
Base-Backbone interact. energy: -0.725
local terms energy: -162.166224
where:
bonds (distance) C4'-P energy: -31.113
bonds (distance) P-C4' energy: -30.179
flat angles C4'-P-C4' energy: -32.493
flat angles P-C4'-P energy: -22.495
tors. eta vs tors. theta energy: -45.886
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: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -551.950401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.950401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.950401 (E_RNA)
where:
Base-Base interactions energy: -403.306
where: short stacking energy: -158.814
Base-Backbone interact. energy: -0.252
local terms energy: -148.392780
where:
bonds (distance) C4'-P energy: -22.311
bonds (distance) P-C4' energy: -26.449
flat angles C4'-P-C4' energy: -28.491
flat angles P-C4'-P energy: -23.897
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: 3, replica: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -547.665088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.665088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.665088 (E_RNA)
where:
Base-Base interactions energy: -394.822
where: short stacking energy: -157.029
Base-Backbone interact. energy: -0.183
local terms energy: -152.660131
where:
bonds (distance) C4'-P energy: -27.811
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -29.489
flat angles P-C4'-P energy: -23.032
tors. eta vs tors. theta energy: -48.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -548.331231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.331231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.331231 (E_RNA)
where:
Base-Base interactions energy: -389.833
where: short stacking energy: -153.876
Base-Backbone interact. energy: -1.213
local terms energy: -157.285607
where:
bonds (distance) C4'-P energy: -29.979
bonds (distance) P-C4' energy: -26.132
flat angles C4'-P-C4' energy: -27.275
flat angles P-C4'-P energy: -25.657
tors. eta vs tors. theta energy: -48.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -530.150615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.150615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.150615 (E_RNA)
where:
Base-Base interactions energy: -379.317
where: short stacking energy: -145.018
Base-Backbone interact. energy: -0.789
local terms energy: -150.043944
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -24.862
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -25.363
tors. eta vs tors. theta energy: -44.087
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: 3
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -516.838465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.838465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.838465 (E_RNA)
where:
Base-Base interactions energy: -378.637
where: short stacking energy: -145.463
Base-Backbone interact. energy: -0.179
local terms energy: -138.021977
where:
bonds (distance) C4'-P energy: -27.455
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -27.374
flat angles P-C4'-P energy: -18.675
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: 7, replica: 1
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -514.012112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.012112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.012112 (E_RNA)
where:
Base-Base interactions energy: -375.446
where: short stacking energy: -143.380
Base-Backbone interact. energy: -0.093
local terms energy: -138.473532
where:
bonds (distance) C4'-P energy: -25.443
bonds (distance) P-C4' energy: -23.736
flat angles C4'-P-C4' energy: -31.006
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -42.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -513.077165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.077165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.077165 (E_RNA)
where:
Base-Base interactions energy: -368.897
where: short stacking energy: -142.364
Base-Backbone interact. energy: -0.105
local terms energy: -144.075522
where:
bonds (distance) C4'-P energy: -22.281
bonds (distance) P-C4' energy: -25.951
flat angles C4'-P-C4' energy: -31.620
flat angles P-C4'-P energy: -22.735
tors. eta vs tors. theta energy: -41.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -511.249403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.249403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.249403 (E_RNA)
where:
Base-Base interactions energy: -376.396
where: short stacking energy: -147.122
Base-Backbone interact. energy: -0.123
local terms energy: -134.729850
where:
bonds (distance) C4'-P energy: -24.584
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -27.609
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -44.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -488.156993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.156993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.156993 (E_RNA)
where:
Base-Base interactions energy: -344.112
where: short stacking energy: -133.659
Base-Backbone interact. energy: -0.187
local terms energy: -143.857514
where:
bonds (distance) C4'-P energy: -20.755
bonds (distance) P-C4' energy: -28.874
flat angles C4'-P-C4' energy: -29.840
flat angles P-C4'-P energy: -22.809
tors. eta vs tors. theta energy: -41.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -563.168200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.168200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.168200 (E_RNA)
where:
Base-Base interactions energy: -406.380
where: short stacking energy: -162.415
Base-Backbone interact. energy: -1.467
local terms energy: -155.321494
where:
bonds (distance) C4'-P energy: -25.914
bonds (distance) P-C4' energy: -27.828
flat angles C4'-P-C4' energy: -30.341
flat angles P-C4'-P energy: -22.166
tors. eta vs tors. theta energy: -49.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -558.536045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.536045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.536045 (E_RNA)
where:
Base-Base interactions energy: -401.470
where: short stacking energy: -154.534
Base-Backbone interact. energy: -0.519
local terms energy: -156.546794
where:
bonds (distance) C4'-P energy: -27.513
bonds (distance) P-C4' energy: -29.791
flat angles C4'-P-C4' energy: -28.284
flat angles P-C4'-P energy: -23.707
tors. eta vs tors. theta energy: -47.252
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: 2
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -554.006140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.006140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.006140 (E_RNA)
where:
Base-Base interactions energy: -403.461
where: short stacking energy: -159.687
Base-Backbone interact. energy: -1.120
local terms energy: -149.424660
where:
bonds (distance) C4'-P energy: -25.663
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -32.295
flat angles P-C4'-P energy: -22.837
tors. eta vs tors. theta energy: -45.513
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: 5
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -558.840224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.840224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.840224 (E_RNA)
where:
Base-Base interactions energy: -405.872
where: short stacking energy: -160.124
Base-Backbone interact. energy: -1.184
local terms energy: -151.784262
where:
bonds (distance) C4'-P energy: -21.739
bonds (distance) P-C4' energy: -27.570
flat angles C4'-P-C4' energy: -32.743
flat angles P-C4'-P energy: -22.628
tors. eta vs tors. theta energy: -47.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -526.083489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.083489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.083489 (E_RNA)
where:
Base-Base interactions energy: -382.567
where: short stacking energy: -153.135
Base-Backbone interact. energy: -0.190
local terms energy: -143.327012
where:
bonds (distance) C4'-P energy: -25.742
bonds (distance) P-C4' energy: -25.939
flat angles C4'-P-C4' energy: -26.910
flat angles P-C4'-P energy: -19.388
tors. eta vs tors. theta energy: -45.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -525.308301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.308301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.308301 (E_RNA)
where:
Base-Base interactions energy: -383.557
where: short stacking energy: -147.282
Base-Backbone interact. energy: -0.525
local terms energy: -141.226639
where:
bonds (distance) C4'-P energy: -22.083
bonds (distance) P-C4' energy: -26.535
flat angles C4'-P-C4' energy: -25.272
flat angles P-C4'-P energy: -21.373
tors. eta vs tors. theta energy: -45.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -519.388346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.388346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.388346 (E_RNA)
where:
Base-Base interactions energy: -372.141
where: short stacking energy: -146.280
Base-Backbone interact. energy: -1.874
local terms energy: -145.372851
where:
bonds (distance) C4'-P energy: -26.969
bonds (distance) P-C4' energy: -22.178
flat angles C4'-P-C4' energy: -31.347
flat angles P-C4'-P energy: -19.110
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: 8, replica: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -513.725520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.725520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.725520 (E_RNA)
where:
Base-Base interactions energy: -380.316
where: short stacking energy: -152.319
Base-Backbone interact. energy: -0.008
local terms energy: -133.402310
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -21.492
flat angles C4'-P-C4' energy: -28.584
flat angles P-C4'-P energy: -21.381
tors. eta vs tors. theta energy: -40.827
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: 496
Temperature: 1.300000
Total energy: -513.748379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.748379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.748379 (E_RNA)
where:
Base-Base interactions energy: -384.080
where: short stacking energy: -154.360
Base-Backbone interact. energy: -0.162
local terms energy: -129.506573
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -23.596
flat angles C4'-P-C4' energy: -24.937
flat angles P-C4'-P energy: -20.977
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: 10, replica: 9
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -492.326549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.326549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.326549 (E_RNA)
where:
Base-Base interactions energy: -357.321
where: short stacking energy: -137.464
Base-Backbone interact. energy: -0.016
local terms energy: -134.989468
where:
bonds (distance) C4'-P energy: -23.877
bonds (distance) P-C4' energy: -26.615
flat angles C4'-P-C4' energy: -23.098
flat angles P-C4'-P energy: -19.913
tors. eta vs tors. theta energy: -41.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -566.602953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.602953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.602953 (E_RNA)
where:
Base-Base interactions energy: -408.770
where: short stacking energy: -159.069
Base-Backbone interact. energy: -2.272
local terms energy: -155.561193
where:
bonds (distance) C4'-P energy: -27.164
bonds (distance) P-C4' energy: -29.289
flat angles C4'-P-C4' energy: -32.992
flat angles P-C4'-P energy: -18.883
tors. eta vs tors. theta energy: -47.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -554.413291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.413291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.413291 (E_RNA)
where:
Base-Base interactions energy: -401.683
where: short stacking energy: -159.603
Base-Backbone interact. energy: -0.446
local terms energy: -152.284553
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -29.397
flat angles C4'-P-C4' energy: -29.828
flat angles P-C4'-P energy: -23.724
tors. eta vs tors. theta energy: -47.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -551.722526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.722526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.722526 (E_RNA)
where:
Base-Base interactions energy: -401.141
where: short stacking energy: -155.849
Base-Backbone interact. energy: -0.740
local terms energy: -149.841175
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -27.332
flat angles C4'-P-C4' energy: -27.083
flat angles P-C4'-P energy: -25.430
tors. eta vs tors. theta energy: -47.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -551.904716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.904716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.904716 (E_RNA)
where:
Base-Base interactions energy: -403.548
where: short stacking energy: -160.276
Base-Backbone interact. energy: -1.246
local terms energy: -147.110959
where:
bonds (distance) C4'-P energy: -28.085
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -30.383
flat angles P-C4'-P energy: -21.868
tors. eta vs tors. theta energy: -46.476
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: 5, replica: 5
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -545.801556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.801556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.801556 (E_RNA)
where:
Base-Base interactions energy: -391.357
where: short stacking energy: -152.412
Base-Backbone interact. energy: -2.036
local terms energy: -152.408834
where:
bonds (distance) C4'-P energy: -22.602
bonds (distance) P-C4' energy: -30.995
flat angles C4'-P-C4' energy: -30.825
flat angles P-C4'-P energy: -23.965
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: 6, replica: 10
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -526.298431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.298431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.298431 (E_RNA)
where:
Base-Base interactions energy: -380.636
where: short stacking energy: -144.686
Base-Backbone interact. energy: -0.612
local terms energy: -145.049800
where:
bonds (distance) C4'-P energy: -25.120
bonds (distance) P-C4' energy: -25.143
flat angles C4'-P-C4' energy: -26.880
flat angles P-C4'-P energy: -21.502
tors. eta vs tors. theta energy: -46.406
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: 7
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -520.673987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.673987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.673987 (E_RNA)
where:
Base-Base interactions energy: -379.387
where: short stacking energy: -141.489
Base-Backbone interact. energy: -0.149
local terms energy: -141.138292
where:
bonds (distance) C4'-P energy: -25.127
bonds (distance) P-C4' energy: -21.363
flat angles C4'-P-C4' energy: -28.913
flat angles P-C4'-P energy: -22.592
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: 8, replica: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -519.314745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.314745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.314745 (E_RNA)
where:
Base-Base interactions energy: -391.652
where: short stacking energy: -155.130
Base-Backbone interact. energy: -0.178
local terms energy: -127.485138
where:
bonds (distance) C4'-P energy: -24.087
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -28.384
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -43.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -494.663796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.663796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.663796 (E_RNA)
where:
Base-Base interactions energy: -365.194
where: short stacking energy: -146.469
Base-Backbone interact. energy: -0.960
local terms energy: -128.509191
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -21.977
tors. eta vs tors. theta energy: -42.817
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: 10, replica: 9
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -501.565108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.565108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.565108 (E_RNA)
where:
Base-Base interactions energy: -364.006
where: short stacking energy: -143.789
Base-Backbone interact. energy: -0.205
local terms energy: -137.353911
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -25.995
flat angles C4'-P-C4' energy: -25.874
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: -47.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -561.829441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.829441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.829441 (E_RNA)
where:
Base-Base interactions energy: -411.640
where: short stacking energy: -158.358
Base-Backbone interact. energy: -1.098
local terms energy: -149.091573
where:
bonds (distance) C4'-P energy: -26.055
bonds (distance) P-C4' energy: -24.218
flat angles C4'-P-C4' energy: -29.756
flat angles P-C4'-P energy: -21.562
tors. eta vs tors. theta energy: -47.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -554.441373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.441373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.441373 (E_RNA)
where:
Base-Base interactions energy: -403.125
where: short stacking energy: -153.320
Base-Backbone interact. energy: -0.432
local terms energy: -150.884391
where:
bonds (distance) C4'-P energy: -23.988
bonds (distance) P-C4' energy: -30.614
flat angles C4'-P-C4' energy: -29.642
flat angles P-C4'-P energy: -23.029
tors. eta vs tors. theta energy: -43.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -549.587026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.587026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.587026 (E_RNA)
where:
Base-Base interactions energy: -398.976
where: short stacking energy: -159.928
Base-Backbone interact. energy: -1.313
local terms energy: -149.297548
where:
bonds (distance) C4'-P energy: -23.284
bonds (distance) P-C4' energy: -28.812
flat angles C4'-P-C4' energy: -29.319
flat angles P-C4'-P energy: -20.876
tors. eta vs tors. theta energy: -47.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -545.515547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.515547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.515547 (E_RNA)
where:
Base-Base interactions energy: -394.149
where: short stacking energy: -152.281
Base-Backbone interact. energy: -1.246
local terms energy: -150.120292
where:
bonds (distance) C4'-P energy: -22.673
bonds (distance) P-C4' energy: -26.782
flat angles C4'-P-C4' energy: -31.845
flat angles P-C4'-P energy: -23.030
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: 5, replica: 10
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -542.857476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.857476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.857476 (E_RNA)
where:
Base-Base interactions energy: -394.122
where: short stacking energy: -154.582
Base-Backbone interact. energy: -0.001
local terms energy: -148.734940
where:
bonds (distance) C4'-P energy: -26.477
bonds (distance) P-C4' energy: -26.346
flat angles C4'-P-C4' energy: -29.509
flat angles P-C4'-P energy: -21.572
tors. eta vs tors. theta energy: -44.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -521.606309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.606309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.606309 (E_RNA)
where:
Base-Base interactions energy: -374.674
where: short stacking energy: -150.380
Base-Backbone interact. energy: -0.414
local terms energy: -146.518590
where:
bonds (distance) C4'-P energy: -28.383
bonds (distance) P-C4' energy: -27.251
flat angles C4'-P-C4' energy: -28.243
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: -44.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -524.623264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.623264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.623264 (E_RNA)
where:
Base-Base interactions energy: -378.734
where: short stacking energy: -145.726
Base-Backbone interact. energy: -0.015
local terms energy: -145.874083
where:
bonds (distance) C4'-P energy: -22.882
bonds (distance) P-C4' energy: -29.123
flat angles C4'-P-C4' energy: -28.760
flat angles P-C4'-P energy: -21.725
tors. eta vs tors. theta energy: -43.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -514.631064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.631064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.631064 (E_RNA)
where:
Base-Base interactions energy: -381.705
where: short stacking energy: -142.347
Base-Backbone interact. energy: -0.166
local terms energy: -132.760256
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -30.033
flat angles P-C4'-P energy: -15.115
tors. eta vs tors. theta energy: -46.077
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: 9, replica: 9
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -497.552877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.552877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.552877 (E_RNA)
where:
Base-Base interactions energy: -363.823
where: short stacking energy: -135.910
Base-Backbone interact. energy: -0.091
local terms energy: -133.638919
where:
bonds (distance) C4'-P energy: -22.604
bonds (distance) P-C4' energy: -25.434
flat angles C4'-P-C4' energy: -26.212
flat angles P-C4'-P energy: -18.894
tors. eta vs tors. theta energy: -40.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -497.252922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.252922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.252922 (E_RNA)
where:
Base-Base interactions energy: -366.319
where: short stacking energy: -135.834
Base-Backbone interact. energy: -0.044
local terms energy: -130.889684
where:
bonds (distance) C4'-P energy: -29.789
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -26.651
flat angles P-C4'-P energy: -16.504
tors. eta vs tors. theta energy: -43.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -565.595184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.595184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.595184 (E_RNA)
where:
Base-Base interactions energy: -412.556
where: short stacking energy: -161.070
Base-Backbone interact. energy: -0.639
local terms energy: -152.400812
where:
bonds (distance) C4'-P energy: -23.347
bonds (distance) P-C4' energy: -30.523
flat angles C4'-P-C4' energy: -30.963
flat angles P-C4'-P energy: -20.690
tors. eta vs tors. theta energy: -46.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -555.478839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.478839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.478839 (E_RNA)
where:
Base-Base interactions energy: -401.070
where: short stacking energy: -155.111
Base-Backbone interact. energy: -0.459
local terms energy: -153.949905
where:
bonds (distance) C4'-P energy: -24.307
bonds (distance) P-C4' energy: -25.639
flat angles C4'-P-C4' energy: -30.293
flat angles P-C4'-P energy: -25.771
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: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -549.258164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.258164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.258164 (E_RNA)
where:
Base-Base interactions energy: -400.126
where: short stacking energy: -156.540
Base-Backbone interact. energy: -0.266
local terms energy: -148.865673
where:
bonds (distance) C4'-P energy: -25.058
bonds (distance) P-C4' energy: -28.728
flat angles C4'-P-C4' energy: -31.111
flat angles P-C4'-P energy: -17.406
tors. eta vs tors. theta energy: -46.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -549.016720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.016720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.016720 (E_RNA)
where:
Base-Base interactions energy: -398.126
where: short stacking energy: -152.769
Base-Backbone interact. energy: -2.014
local terms energy: -148.876158
where:
bonds (distance) C4'-P energy: -25.318
bonds (distance) P-C4' energy: -28.853
flat angles C4'-P-C4' energy: -29.535
flat angles P-C4'-P energy: -20.263
tors. eta vs tors. theta energy: -44.907
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: 3
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -530.966036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.966036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.966036 (E_RNA)
where:
Base-Base interactions energy: -385.684
where: short stacking energy: -152.606
Base-Backbone interact. energy: -0.606
local terms energy: -144.676566
where:
bonds (distance) C4'-P energy: -20.380
bonds (distance) P-C4' energy: -26.933
flat angles C4'-P-C4' energy: -27.456
flat angles P-C4'-P energy: -22.535
tors. eta vs tors. theta energy: -47.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -520.912874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.912874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.912874 (E_RNA)
where:
Base-Base interactions energy: -385.768
where: short stacking energy: -154.450
Base-Backbone interact. energy: -0.025
local terms energy: -135.120383
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -24.975
flat angles C4'-P-C4' energy: -27.509
flat angles P-C4'-P energy: -21.600
tors. eta vs tors. theta energy: -45.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -517.423350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.423350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.423350 (E_RNA)
where:
Base-Base interactions energy: -380.175
where: short stacking energy: -147.172
Base-Backbone interact. energy: -1.419
local terms energy: -135.829918
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -31.170
flat angles P-C4'-P energy: -23.323
tors. eta vs tors. theta energy: -44.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -508.879280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.879280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.879280 (E_RNA)
where:
Base-Base interactions energy: -384.904
where: short stacking energy: -145.312
Base-Backbone interact. energy: -0.327
local terms energy: -123.648721
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -30.363
flat angles P-C4'-P energy: -19.450
tors. eta vs tors. theta energy: -42.980
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: 7
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -493.147612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.147612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.147612 (E_RNA)
where:
Base-Base interactions energy: -372.006
where: short stacking energy: -145.642
Base-Backbone interact. energy: -0.208
local terms energy: -120.933611
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -25.021
flat angles P-C4'-P energy: -21.393
tors. eta vs tors. theta energy: -40.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -493.504159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.504159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.504159 (E_RNA)
where:
Base-Base interactions energy: -370.887
where: short stacking energy: -138.864
Base-Backbone interact. energy: -0.729
local terms energy: -121.888097
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -20.163
flat angles C4'-P-C4' energy: -23.945
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -45.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -565.051764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.051764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.051764 (E_RNA)
where:
Base-Base interactions energy: -398.866
where: short stacking energy: -155.849
Base-Backbone interact. energy: -0.544
local terms energy: -165.641747
where:
bonds (distance) C4'-P energy: -30.468
bonds (distance) P-C4' energy: -27.257
flat angles C4'-P-C4' energy: -32.471
flat angles P-C4'-P energy: -25.607
tors. eta vs tors. theta energy: -49.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -555.294256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.294256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.294256 (E_RNA)
where:
Base-Base interactions energy: -400.294
where: short stacking energy: -155.525
Base-Backbone interact. energy: -0.002
local terms energy: -154.997850
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -26.716
flat angles C4'-P-C4' energy: -31.463
flat angles P-C4'-P energy: -26.400
tors. eta vs tors. theta energy: -49.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -544.418872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.418872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.418872 (E_RNA)
where:
Base-Base interactions energy: -386.907
where: short stacking energy: -151.775
Base-Backbone interact. energy: -0.352
local terms energy: -157.160151
where:
bonds (distance) C4'-P energy: -24.421
bonds (distance) P-C4' energy: -28.716
flat angles C4'-P-C4' energy: -31.612
flat angles P-C4'-P energy: -25.576
tors. eta vs tors. theta energy: -46.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -538.019694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.019694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.019694 (E_RNA)
where:
Base-Base interactions energy: -390.482
where: short stacking energy: -146.584
Base-Backbone interact. energy: -0.697
local terms energy: -146.840578
where:
bonds (distance) C4'-P energy: -25.579
bonds (distance) P-C4' energy: -23.351
flat angles C4'-P-C4' energy: -31.125
flat angles P-C4'-P energy: -20.706
tors. eta vs tors. theta energy: -46.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -528.004860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.004860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.004860 (E_RNA)
where:
Base-Base interactions energy: -378.550
where: short stacking energy: -143.955
Base-Backbone interact. energy: -0.755
local terms energy: -148.699845
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -27.121
flat angles C4'-P-C4' energy: -32.077
flat angles P-C4'-P energy: -21.885
tors. eta vs tors. theta energy: -44.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -529.318657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.318657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.318657 (E_RNA)
where:
Base-Base interactions energy: -383.965
where: short stacking energy: -152.491
Base-Backbone interact. energy: -0.065
local terms energy: -145.288764
where:
bonds (distance) C4'-P energy: -24.615
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -28.366
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: -47.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -516.618301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.618301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.618301 (E_RNA)
where:
Base-Base interactions energy: -365.994
where: short stacking energy: -146.103
Base-Backbone interact. energy: -2.542
local terms energy: -148.082256
where:
bonds (distance) C4'-P energy: -25.154
bonds (distance) P-C4' energy: -24.533
flat angles C4'-P-C4' energy: -33.084
flat angles P-C4'-P energy: -22.288
tors. eta vs tors. theta energy: -43.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -515.660753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.660753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.660753 (E_RNA)
where:
Base-Base interactions energy: -386.896
where: short stacking energy: -151.165
Base-Backbone interact. energy: 1.198
local terms energy: -129.962367
where:
bonds (distance) C4'-P energy: -20.048
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -27.145
flat angles P-C4'-P energy: -23.524
tors. eta vs tors. theta energy: -46.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -507.706479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.706479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.706479 (E_RNA)
where:
Base-Base interactions energy: -369.983
where: short stacking energy: -143.189
Base-Backbone interact. energy: -0.126
local terms energy: -137.597649
where:
bonds (distance) C4'-P energy: -27.395
bonds (distance) P-C4' energy: -21.840
flat angles C4'-P-C4' energy: -27.222
flat angles P-C4'-P energy: -20.196
tors. eta vs tors. theta energy: -40.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -495.446700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.446700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.446700 (E_RNA)
where:
Base-Base interactions energy: -357.466
where: short stacking energy: -142.656
Base-Backbone interact. energy: 0.082
local terms energy: -138.062457
where:
bonds (distance) C4'-P energy: -22.971
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -32.225
flat angles P-C4'-P energy: -18.941
tors. eta vs tors. theta energy: -42.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -566.449859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.449859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.449859 (E_RNA)
where:
Base-Base interactions energy: -404.975
where: short stacking energy: -156.687
Base-Backbone interact. energy: -0.536
local terms energy: -160.938826
where:
bonds (distance) C4'-P energy: -27.657
bonds (distance) P-C4' energy: -26.665
flat angles C4'-P-C4' energy: -32.441
flat angles P-C4'-P energy: -25.731
tors. eta vs tors. theta energy: -48.444
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: 10
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -543.963193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.963193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.963193 (E_RNA)
where:
Base-Base interactions energy: -390.909
where: short stacking energy: -152.920
Base-Backbone interact. energy: -0.492
local terms energy: -152.562471
where:
bonds (distance) C4'-P energy: -25.053
bonds (distance) P-C4' energy: -25.348
flat angles C4'-P-C4' energy: -32.969
flat angles P-C4'-P energy: -21.288
tors. eta vs tors. theta energy: -47.904
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: 8
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -560.588510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.588510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.588510 (E_RNA)
where:
Base-Base interactions energy: -401.148
where: short stacking energy: -158.637
Base-Backbone interact. energy: -0.857
local terms energy: -158.583783
where:
bonds (distance) C4'-P energy: -26.266
bonds (distance) P-C4' energy: -24.257
flat angles C4'-P-C4' energy: -33.410
flat angles P-C4'-P energy: -25.066
tors. eta vs tors. theta energy: -49.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -546.655683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.655683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.655683 (E_RNA)
where:
Base-Base interactions energy: -398.759
where: short stacking energy: -154.217
Base-Backbone interact. energy: -1.998
local terms energy: -145.899017
where:
bonds (distance) C4'-P energy: -26.163
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -31.315
flat angles P-C4'-P energy: -18.926
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: 5, replica: 2
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -537.378397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.378397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.378397 (E_RNA)
where:
Base-Base interactions energy: -400.385
where: short stacking energy: -153.941
Base-Backbone interact. energy: -0.512
local terms energy: -136.482009
where:
bonds (distance) C4'-P energy: -24.493
bonds (distance) P-C4' energy: -25.485
flat angles C4'-P-C4' energy: -25.633
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -44.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -521.800018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.800018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.800018 (E_RNA)
where:
Base-Base interactions energy: -376.775
where: short stacking energy: -147.187
Base-Backbone interact. energy: -0.002
local terms energy: -145.023265
where:
bonds (distance) C4'-P energy: -24.449
bonds (distance) P-C4' energy: -24.910
flat angles C4'-P-C4' energy: -28.401
flat angles P-C4'-P energy: -19.700
tors. eta vs tors. theta energy: -47.563
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: 9
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -517.250140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.250140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.250140 (E_RNA)
where:
Base-Base interactions energy: -380.635
where: short stacking energy: -148.863
Base-Backbone interact. energy: -0.198
local terms energy: -136.417120
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -23.372
flat angles C4'-P-C4' energy: -27.918
flat angles P-C4'-P energy: -22.476
tors. eta vs tors. theta energy: -42.266
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: 5
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -516.310835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.310835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.310835 (E_RNA)
where:
Base-Base interactions energy: -375.935
where: short stacking energy: -143.203
Base-Backbone interact. energy: -0.049
local terms energy: -140.327061
where:
bonds (distance) C4'-P energy: -22.413
bonds (distance) P-C4' energy: -24.091
flat angles C4'-P-C4' energy: -29.396
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -44.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -498.391289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.391289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.391289 (E_RNA)
where:
Base-Base interactions energy: -376.474
where: short stacking energy: -148.117
Base-Backbone interact. energy: -0.105
local terms energy: -121.812415
where:
bonds (distance) C4'-P energy: -22.006
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -21.094
flat angles P-C4'-P energy: -17.479
tors. eta vs tors. theta energy: -39.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -490.977896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.977896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.977896 (E_RNA)
where:
Base-Base interactions energy: -363.852
where: short stacking energy: -135.484
Base-Backbone interact. energy: 2.198
local terms energy: -129.323876
where:
bonds (distance) C4'-P energy: -18.829
bonds (distance) P-C4' energy: -23.036
flat angles C4'-P-C4' energy: -27.841
flat angles P-C4'-P energy: -18.134
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)
replica 4 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 15867333
moves confirmed later: 17051646
all moves confirmed: 32918979
percent of confirmed moves: 4.114872
current total energy: -528.838416
recalc. total energy: -528.838416
replica 10 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 16270716
moves confirmed later: 17589555
all moves confirmed: 33860271
percent of confirmed moves: 4.232534
current total energy: -497.844212
recalc. total energy: -497.844212
replica 8 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 15757397
moves confirmed later: 16962992
all moves confirmed: 32720389
percent of confirmed moves: 4.090049
current total energy: -500.491317
recalc. total energy: -500.491317
replica 6 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 16150882
moves confirmed later: 17421800
all moves confirmed: 33572682
percent of confirmed moves: 4.196585
current total energy: -460.451074
recalc. total energy: -460.451074
replica 3 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 15553689
moves confirmed later: 16617336
all moves confirmed: 32171025
percent of confirmed moves: 4.021378
current total energy: -473.280643
recalc. total energy: -473.280643
replica 2 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 24630469
moves confirmed later: 28482910
all moves confirmed: 53113379
percent of confirmed moves: 6.639172
current total energy: -456.392082
recalc. total energy: -456.392082
replica 5 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 15226852
moves confirmed later: 16171192
all moves confirmed: 31398044
percent of confirmed moves: 3.924755
current total energy: -463.266703
recalc. total energy: -463.266703
replica 9 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 17708883
moves confirmed later: 19436617
all moves confirmed: 37145500
percent of confirmed moves: 4.643187
current total energy: -443.548075
recalc. total energy: -443.548075
replica 1 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 15266739
moves confirmed later: 16216340
all moves confirmed: 31483079
percent of confirmed moves: 3.935385
current total energy: -459.243984
recalc. total energy: -459.243984
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 14881544
moves confirmed later: 15760420
all moves confirmed: 30641964
percent of confirmed moves: 3.830246
current total energy: -440.736046
recalc. total energy: -440.736046
out arg RESULTS//1/hairpin1-78d9cb0a_01
Time of doing 8000000 iterations: 4831.496 seconds