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/e2-b0826708/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e2-b0826708/inputs/seq.fa: 1
curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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/e2-b0826708/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e2-b0826708/inputs/seq.fa: 1
curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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 = 1.283
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e2-b0826708/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e2-b0826708/inputs/seq.fa: 1
curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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 = 1.667
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e2-b0826708/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e2-b0826708/inputs/seq.fa: 1
curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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 = 2.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e2-b0826708/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e2-b0826708/inputs/seq.fa: 1
curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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 = 2.433
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e2-b0826708/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e2-b0826708/inputs/seq.fa: 1
curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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 = 2.817
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e2-b0826708/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e2-b0826708/inputs/seq.fa: 1
curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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 = 3.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e2-b0826708/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e2-b0826708/inputs/seq.fa: 1
curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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 = 3.583
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e2-b0826708/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e2-b0826708/inputs/seq.fa: 1
curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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 = 3.967
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e2-b0826708/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/e2-b0826708/inputs/seq.fa: 1
curr_seq: _AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAGGGAUGCCGUUUGGGCCCAAGUUCGGCAUAGUGC
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 36 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: 185
n_atoms_counter: 185
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 36.000000 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 = 4.350
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: -130.622217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.622217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.622217 (E_RNA)
where:
Base-Base interactions energy: 2.946
where: short stacking energy: 2.946
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
tors. eta vs tors. theta energy: -8.821
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: 2
=====================================
Write number: 1
Temperature: 1.283333
Total energy: -130.622217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.622217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.622217 (E_RNA)
where:
Base-Base interactions energy: 2.946
where: short stacking energy: 2.946
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
tors. eta vs tors. theta energy: -8.821
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: 3
=====================================
Write number: 1
Temperature: 1.666667
Total energy: -130.622217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.622217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.622217 (E_RNA)
where:
Base-Base interactions energy: 2.946
where: short stacking energy: 2.946
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
tors. eta vs tors. theta energy: -8.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 2.050000
Total energy: -130.622217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.622217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.622217 (E_RNA)
where:
Base-Base interactions energy: 2.946
where: short stacking energy: 2.946
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
tors. eta vs tors. theta energy: -8.821
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: 5
=====================================
Write number: 1
Temperature: 2.433333
Total energy: -130.622217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.622217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.622217 (E_RNA)
where:
Base-Base interactions energy: 2.946
where: short stacking energy: 2.946
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
tors. eta vs tors. theta energy: -8.821
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: 6
=====================================
Write number: 1
Temperature: 2.816667
Total energy: -130.622217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.622217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.622217 (E_RNA)
where:
Base-Base interactions energy: 2.946
where: short stacking energy: 2.946
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
tors. eta vs tors. theta energy: -8.821
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: 7
=====================================
Write number: 1
Temperature: 3.200000
Total energy: -130.622217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.622217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.622217 (E_RNA)
where:
Base-Base interactions energy: 2.946
where: short stacking energy: 2.946
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
tors. eta vs tors. theta energy: -8.821
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: 8
=====================================
Write number: 1
Temperature: 3.583333
Total energy: -130.622217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.622217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.622217 (E_RNA)
where:
Base-Base interactions energy: 2.946
where: short stacking energy: 2.946
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
tors. eta vs tors. theta energy: -8.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 3.966667
Total energy: -130.622217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.622217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.622217 (E_RNA)
where:
Base-Base interactions energy: 2.946
where: short stacking energy: 2.946
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
tors. eta vs tors. theta energy: -8.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 4.350000
Total energy: -130.622217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.622217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.622217 (E_RNA)
where:
Base-Base interactions energy: 2.946
where: short stacking energy: 2.946
Base-Backbone interact. energy: -0.000
local terms energy: -133.568029
where:
bonds (distance) C4'-P energy: -34.977
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -30.235
tors. eta vs tors. theta energy: -8.821
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -198.008961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.008961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.008961 (E_RNA)
where:
Base-Base interactions energy: -86.656
where: short stacking energy: -86.656
Base-Backbone interact. energy: -0.025
local terms energy: -111.327402
where:
bonds (distance) C4'-P energy: -21.709
bonds (distance) P-C4' energy: -30.021
flat angles C4'-P-C4' energy: -24.954
flat angles P-C4'-P energy: -19.904
tors. eta vs tors. theta energy: -14.739
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 1.283333
Total energy: -134.356873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.356873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.356873 (E_RNA)
where:
Base-Base interactions energy: -1.554
where: short stacking energy: -1.554
Base-Backbone interact. energy: -0.000
local terms energy: -132.802682
where:
bonds (distance) C4'-P energy: -34.505
bonds (distance) P-C4' energy: -33.095
flat angles C4'-P-C4' energy: -25.993
flat angles P-C4'-P energy: -30.198
tors. eta vs tors. theta energy: -9.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.666667
Total energy: -132.970803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.970803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.970803 (E_RNA)
where:
Base-Base interactions energy: -0.881
where: short stacking energy: -0.881
Base-Backbone interact. energy: -0.000
local terms energy: -132.089568
where:
bonds (distance) C4'-P energy: -34.389
bonds (distance) P-C4' energy: -33.089
flat angles C4'-P-C4' energy: -25.550
flat angles P-C4'-P energy: -29.992
tors. eta vs tors. theta energy: -9.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 2.050000
Total energy: -133.521441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.521441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.521441 (E_RNA)
where:
Base-Base interactions energy: -0.925
where: short stacking energy: -0.925
Base-Backbone interact. energy: -0.000
local terms energy: -132.596464
where:
bonds (distance) C4'-P energy: -34.745
bonds (distance) P-C4' energy: -33.089
flat angles C4'-P-C4' energy: -25.639
flat angles P-C4'-P energy: -29.984
tors. eta vs tors. theta energy: -9.140
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: 5
=====================================
Write number: 2
Temperature: 2.433333
Total energy: -133.296019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.296019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.296019 (E_RNA)
where:
Base-Base interactions energy: -0.925
where: short stacking energy: -0.925
Base-Backbone interact. energy: -0.000
local terms energy: -132.371183
where:
bonds (distance) C4'-P energy: -34.745
bonds (distance) P-C4' energy: -33.089
flat angles C4'-P-C4' energy: -25.559
flat angles P-C4'-P energy: -29.843
tors. eta vs tors. theta energy: -9.136
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: 6
=====================================
Write number: 2
Temperature: 2.816667
Total energy: -132.845793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.845793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.845793 (E_RNA)
where:
Base-Base interactions energy: -0.925
where: short stacking energy: -0.925
Base-Backbone interact. energy: -0.000
local terms energy: -131.921168
where:
bonds (distance) C4'-P energy: -34.745
bonds (distance) P-C4' energy: -33.089
flat angles C4'-P-C4' energy: -25.682
flat angles P-C4'-P energy: -29.745
tors. eta vs tors. theta energy: -8.661
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: 7
=====================================
Write number: 2
Temperature: 3.200000
Total energy: -125.514371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.514371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.514371 (E_RNA)
where:
Base-Base interactions energy: -2.432
where: short stacking energy: -2.432
Base-Backbone interact. energy: -0.000
local terms energy: -123.082331
where:
bonds (distance) C4'-P energy: -33.892
bonds (distance) P-C4' energy: -30.346
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -27.948
tors. eta vs tors. theta energy: -8.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 3.583333
Total energy: -123.763610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.763610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.763610 (E_RNA)
where:
Base-Base interactions energy: -3.586
where: short stacking energy: -3.586
Base-Backbone interact. energy: -0.000
local terms energy: -120.177304
where:
bonds (distance) C4'-P energy: -33.892
bonds (distance) P-C4' energy: -30.346
flat angles C4'-P-C4' energy: -22.559
flat angles P-C4'-P energy: -26.244
tors. eta vs tors. theta energy: -7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 3.966667
Total energy: -130.602595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.602595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.602595 (E_RNA)
where:
Base-Base interactions energy: -2.393
where: short stacking energy: -2.393
Base-Backbone interact. energy: -0.000
local terms energy: -128.209327
where:
bonds (distance) C4'-P energy: -34.745
bonds (distance) P-C4' energy: -33.089
flat angles C4'-P-C4' energy: -25.140
flat angles P-C4'-P energy: -26.380
tors. eta vs tors. theta energy: -8.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 4.350000
Total energy: -133.650854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.650854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.650854 (E_RNA)
where:
Base-Base interactions energy: -1.554
where: short stacking energy: -1.554
Base-Backbone interact. energy: -0.000
local terms energy: -132.096665
where:
bonds (distance) C4'-P energy: -34.861
bonds (distance) P-C4' energy: -33.095
flat angles C4'-P-C4' energy: -26.840
flat angles P-C4'-P energy: -29.541
tors. eta vs tors. theta energy: -7.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -263.888288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.888288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.888288 (E_RNA)
where:
Base-Base interactions energy: -145.574
where: short stacking energy: -102.600
Base-Backbone interact. energy: -0.189
local terms energy: -118.125304
where:
bonds (distance) C4'-P energy: -24.199
bonds (distance) P-C4' energy: -27.117
flat angles C4'-P-C4' energy: -26.796
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -26.275
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: 2, replica: 2
=====================================
Write number: 3
Temperature: 1.283333
Total energy: -140.627474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.627474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.627474 (E_RNA)
where:
Base-Base interactions energy: -68.582
where: short stacking energy: -35.690
Base-Backbone interact. energy: 0.966
local terms energy: -73.011924
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -22.095
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -8.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.666667
Total energy: -86.864747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.864747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.864747 (E_RNA)
where:
Base-Base interactions energy: -23.823
where: short stacking energy: -21.831
Base-Backbone interact. energy: -0.548
local terms energy: -62.493768
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: 1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 2.050000
Total energy: -76.557370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.557370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.557370 (E_RNA)
where:
Base-Base interactions energy: -31.519
where: short stacking energy: -18.566
Base-Backbone interact. energy: 2.091
local terms energy: -47.128748
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -8.179
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: 5, replica: 5
=====================================
Write number: 3
Temperature: 2.433333
Total energy: -50.356154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.356154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.356154 (E_RNA)
where:
Base-Base interactions energy: -19.746
where: short stacking energy: -11.646
Base-Backbone interact. energy: 3.332
local terms energy: -33.941531
where:
bonds (distance) C4'-P energy: -20.558
bonds (distance) P-C4' energy: -18.975
flat angles C4'-P-C4' energy: -0.725
flat angles P-C4'-P energy: -4.351
tors. eta vs tors. theta energy: 10.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 2.816667
Total energy: -31.927099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.927099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.927099 (E_RNA)
where:
Base-Base interactions energy: -7.540
where: short stacking energy: -8.709
Base-Backbone interact. energy: 1.849
local terms energy: -26.236001
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -6.326
flat angles P-C4'-P energy: 0.608
tors. eta vs tors. theta energy: 11.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 3.200000
Total energy: -20.520453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.520453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.520453 (E_RNA)
where:
Base-Base interactions energy: -7.159
where: short stacking energy: -4.285
Base-Backbone interact. energy: -0.725
local terms energy: -12.636222
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: 3.511
tors. eta vs tors. theta energy: 20.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 3.583333
Total energy: -21.748856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.748856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.748856 (E_RNA)
where:
Base-Base interactions energy: -3.919
where: short stacking energy: -4.582
Base-Backbone interact. energy: 4.102
local terms energy: -21.931677
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -9.764
flat angles C4'-P-C4' energy: -1.220
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: 14.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 3.966667
Total energy: -11.101395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.101395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.101395 (E_RNA)
where:
Base-Base interactions energy: 1.221
where: short stacking energy: -3.230
Base-Backbone interact. energy: 9.258
local terms energy: -21.580423
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -19.608
flat angles C4'-P-C4' energy: 5.888
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: 15.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 4.350000
Total energy: -1.005290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.005290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.005290 (E_RNA)
where:
Base-Base interactions energy: -2.309
where: short stacking energy: 0.000
Base-Backbone interact. energy: 5.695
local terms energy: -4.391757
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: 0.590
flat angles P-C4'-P energy: 16.609
tors. eta vs tors. theta energy: 9.265
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -303.906288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.906288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.906288 (E_RNA)
where:
Base-Base interactions energy: -180.711
where: short stacking energy: -102.310
Base-Backbone interact. energy: -0.006
local terms energy: -123.189093
where:
bonds (distance) C4'-P energy: -24.291
bonds (distance) P-C4' energy: -24.484
flat angles C4'-P-C4' energy: -26.187
flat angles P-C4'-P energy: -19.403
tors. eta vs tors. theta energy: -28.825
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: 2
=====================================
Write number: 4
Temperature: 1.283333
Total energy: -149.392951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.392951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.392951 (E_RNA)
where:
Base-Base interactions energy: -71.734
where: short stacking energy: -44.417
Base-Backbone interact. energy: 0.931
local terms energy: -78.590367
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -12.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.666667
Total energy: -91.817208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.817208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.817208 (E_RNA)
where:
Base-Base interactions energy: -28.129
where: short stacking energy: -26.310
Base-Backbone interact. energy: 0.758
local terms energy: -64.445575
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -23.095
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: 2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 2.050000
Total energy: -66.525801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.525801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.525801 (E_RNA)
where:
Base-Base interactions energy: -21.401
where: short stacking energy: -21.401
Base-Backbone interact. energy: 1.497
local terms energy: -46.621417
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -20.558
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: 9.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 2.433333
Total energy: -56.866267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.866267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.866267 (E_RNA)
where:
Base-Base interactions energy: -11.404
where: short stacking energy: -11.071
Base-Backbone interact. energy: -0.527
local terms energy: -44.935107
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -4.928
flat angles P-C4'-P energy: -15.895
tors. eta vs tors. theta energy: 11.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 2.816667
Total energy: -31.015982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.015982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.015982 (E_RNA)
where:
Base-Base interactions energy: -3.061
where: short stacking energy: -1.682
Base-Backbone interact. energy: 0.181
local terms energy: -28.135436
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -7.841
flat angles P-C4'-P energy: 6.221
tors. eta vs tors. theta energy: 6.524
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: 9
=====================================
Write number: 4
Temperature: 3.200000
Total energy: -34.291268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.291268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.291268 (E_RNA)
where:
Base-Base interactions energy: -6.240
where: short stacking energy: -6.006
Base-Backbone interact. energy: -0.414
local terms energy: -27.637075
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -17.289
flat angles C4'-P-C4' energy: -3.943
flat angles P-C4'-P energy: -4.385
tors. eta vs tors. theta energy: 11.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 3.583333
Total energy: -19.238535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.238535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.238535 (E_RNA)
where:
Base-Base interactions energy: -4.354
where: short stacking energy: -3.394
Base-Backbone interact. energy: 1.558
local terms energy: -16.442762
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -7.636
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: 3.592
tors. eta vs tors. theta energy: 10.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 3.966667
Total energy: -12.663358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.663358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.663358 (E_RNA)
where:
Base-Base interactions energy: -0.838
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.642
local terms energy: -11.183207
where:
bonds (distance) C4'-P energy: -9.981
bonds (distance) P-C4' energy: -8.973
flat angles C4'-P-C4' energy: -7.413
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: 21.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 4.350000
Total energy: -25.466052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.466052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.466052 (E_RNA)
where:
Base-Base interactions energy: -16.623
where: short stacking energy: -15.295
Base-Backbone interact. energy: -0.249
local terms energy: -8.594790
where:
bonds (distance) C4'-P energy: -10.039
bonds (distance) P-C4' energy: -23.650
flat angles C4'-P-C4' energy: -2.142
flat angles P-C4'-P energy: 8.645
tors. eta vs tors. theta energy: 18.591
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: 5
Temperature: 0.900000
Total energy: -324.240702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.240702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.240702 (E_RNA)
where:
Base-Base interactions energy: -213.090
where: short stacking energy: -114.620
Base-Backbone interact. energy: -0.115
local terms energy: -111.035448
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -24.457
flat angles C4'-P-C4' energy: -24.740
flat angles P-C4'-P energy: -20.493
tors. eta vs tors. theta energy: -27.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 1.283333
Total energy: -128.084724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.084724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.084724 (E_RNA)
where:
Base-Base interactions energy: -46.822
where: short stacking energy: -46.822
Base-Backbone interact. energy: -0.054
local terms energy: -81.207965
where:
bonds (distance) C4'-P energy: -21.826
bonds (distance) P-C4' energy: -21.872
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: 0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.666667
Total energy: -87.907336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.907336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.907336 (E_RNA)
where:
Base-Base interactions energy: -31.839
where: short stacking energy: -27.945
Base-Backbone interact. energy: -0.686
local terms energy: -55.382726
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -18.546
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: 5.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 2.050000
Total energy: -61.957830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.957830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.957830 (E_RNA)
where:
Base-Base interactions energy: -16.804
where: short stacking energy: -16.804
Base-Backbone interact. energy: -0.299
local terms energy: -44.854747
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -8.205
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: 3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 2.433333
Total energy: -51.924173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.924173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.924173 (E_RNA)
where:
Base-Base interactions energy: -9.844
where: short stacking energy: -5.429
Base-Backbone interact. energy: 1.415
local terms energy: -43.495632
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: 11.945
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: 6, replica: 9
=====================================
Write number: 5
Temperature: 2.816667
Total energy: -38.423811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.423811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.423811 (E_RNA)
where:
Base-Base interactions energy: -4.916
where: short stacking energy: -3.910
Base-Backbone interact. energy: -0.613
local terms energy: -32.894613
where:
bonds (distance) C4'-P energy: -21.125
bonds (distance) P-C4' energy: -10.169
flat angles C4'-P-C4' energy: 2.032
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: 7.988
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: 7, replica: 6
=====================================
Write number: 5
Temperature: 3.200000
Total energy: -18.391248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.391248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.391248 (E_RNA)
where:
Base-Base interactions energy: -8.252
where: short stacking energy: -1.937
Base-Backbone interact. energy: 1.560
local terms energy: -11.699259
where:
bonds (distance) C4'-P energy: -4.685
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -6.887
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: 14.605
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: 8
=====================================
Write number: 5
Temperature: 3.583333
Total energy: -19.738442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.738442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.738442 (E_RNA)
where:
Base-Base interactions energy: -2.105
where: short stacking energy: -0.923
Base-Backbone interact. energy: -0.341
local terms energy: -17.292366
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -8.530
flat angles P-C4'-P energy: 11.677
tors. eta vs tors. theta energy: 10.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 5
Temperature: 3.966667
Total energy: -12.589139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.589139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.589139 (E_RNA)
where:
Base-Base interactions energy: -2.001
where: short stacking energy: -2.501
Base-Backbone interact. energy: 0.952
local terms energy: -11.539337
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: 0.050
flat angles P-C4'-P energy: 2.854
tors. eta vs tors. theta energy: 16.679
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: 10
=====================================
Write number: 5
Temperature: 4.350000
Total energy: -2.531430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.531430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.531430 (E_RNA)
where:
Base-Base interactions energy: -7.127
where: short stacking energy: -7.127
Base-Backbone interact. energy: 3.861
local terms energy: 0.734590
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -3.913
flat angles C4'-P-C4' energy: 3.336
flat angles P-C4'-P energy: 3.789
tors. eta vs tors. theta energy: 10.541
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: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -337.522284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.522284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.522284 (E_RNA)
where:
Base-Base interactions energy: -216.036
where: short stacking energy: -113.150
Base-Backbone interact. energy: -0.217
local terms energy: -121.269579
where:
bonds (distance) C4'-P energy: -25.304
bonds (distance) P-C4' energy: -26.126
flat angles C4'-P-C4' energy: -21.035
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -35.491
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: 2
=====================================
Write number: 6
Temperature: 1.283333
Total energy: -171.425978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.425978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.425978 (E_RNA)
where:
Base-Base interactions energy: -90.266
where: short stacking energy: -48.262
Base-Backbone interact. energy: -0.236
local terms energy: -80.924085
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -25.826
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -5.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.666667
Total energy: -86.504188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.504188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.504188 (E_RNA)
where:
Base-Base interactions energy: -35.922
where: short stacking energy: -33.386
Base-Backbone interact. energy: -0.813
local terms energy: -49.768844
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: 3.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 2.050000
Total energy: -70.612658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.612658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.612658 (E_RNA)
where:
Base-Base interactions energy: -15.577
where: short stacking energy: -14.660
Base-Backbone interact. energy: -0.220
local terms energy: -54.815024
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: 8.319
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: 5, replica: 5
=====================================
Write number: 6
Temperature: 2.433333
Total energy: -43.505530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.505530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.505530 (E_RNA)
where:
Base-Base interactions energy: -12.667
where: short stacking energy: -12.767
Base-Backbone interact. energy: 0.903
local terms energy: -31.741834
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -6.719
flat angles P-C4'-P energy: 0.169
tors. eta vs tors. theta energy: 5.736
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: 9
=====================================
Write number: 6
Temperature: 2.816667
Total energy: -32.941806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.941806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.941806 (E_RNA)
where:
Base-Base interactions energy: -8.549
where: short stacking energy: -7.905
Base-Backbone interact. energy: 2.254
local terms energy: -26.647235
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -3.434
flat angles C4'-P-C4' energy: -9.276
flat angles P-C4'-P energy: -0.929
tors. eta vs tors. theta energy: 5.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 3.200000
Total energy: -20.493325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.493325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.493325 (E_RNA)
where:
Base-Base interactions energy: 0.085
where: short stacking energy: 0.266
Base-Backbone interact. energy: 0.772
local terms energy: -21.350754
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -6.420
flat angles P-C4'-P energy: -1.975
tors. eta vs tors. theta energy: 16.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 3.583333
Total energy: -15.354835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.354835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.354835 (E_RNA)
where:
Base-Base interactions energy: -10.766
where: short stacking energy: -7.452
Base-Backbone interact. energy: -0.447
local terms energy: -4.141502
where:
bonds (distance) C4'-P energy: -8.540
bonds (distance) P-C4' energy: -7.964
flat angles C4'-P-C4' energy: -6.338
flat angles P-C4'-P energy: 0.881
tors. eta vs tors. theta energy: 17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 3.966667
Total energy: -1.789075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.789075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.789075 (E_RNA)
where:
Base-Base interactions energy: -2.618
where: short stacking energy: -3.494
Base-Backbone interact. energy: 10.733
local terms energy: -9.904266
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: 2.630
flat angles P-C4'-P energy: 5.862
tors. eta vs tors. theta energy: 16.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 6
Temperature: 4.350000
Total energy: -8.961019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.961019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.961019 (E_RNA)
where:
Base-Base interactions energy: -0.852
where: short stacking energy: -1.052
Base-Backbone interact. energy: 1.335
local terms energy: -9.443833
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -3.518
flat angles C4'-P-C4' energy: -2.989
flat angles P-C4'-P energy: -4.068
tors. eta vs tors. theta energy: 16.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -344.716839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.716839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.716839 (E_RNA)
where:
Base-Base interactions energy: -216.185
where: short stacking energy: -107.528
Base-Backbone interact. energy: 0.633
local terms energy: -129.164572
where:
bonds (distance) C4'-P energy: -25.816
bonds (distance) P-C4' energy: -25.625
flat angles C4'-P-C4' energy: -28.056
flat angles P-C4'-P energy: -18.398
tors. eta vs tors. theta energy: -31.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 7
Temperature: 1.283333
Total energy: -228.838749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.838749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.838749 (E_RNA)
where:
Base-Base interactions energy: -153.182
where: short stacking energy: -81.476
Base-Backbone interact. energy: -0.429
local terms energy: -75.227790
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.666667
Total energy: -90.626588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.626588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.626588 (E_RNA)
where:
Base-Base interactions energy: -31.566
where: short stacking energy: -28.320
Base-Backbone interact. energy: -0.654
local terms energy: -58.405933
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: 4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 2.050000
Total energy: -79.749539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.749539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.749539 (E_RNA)
where:
Base-Base interactions energy: -23.547
where: short stacking energy: -19.715
Base-Backbone interact. energy: -0.384
local terms energy: -55.819097
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -4.215
tors. eta vs tors. theta energy: 4.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 7
Temperature: 2.433333
Total energy: -40.414456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.414456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.414456 (E_RNA)
where:
Base-Base interactions energy: -11.684
where: short stacking energy: -7.933
Base-Backbone interact. energy: -0.638
local terms energy: -28.092566
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -0.543
tors. eta vs tors. theta energy: 17.017
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: 6, replica: 9
=====================================
Write number: 7
Temperature: 2.816667
Total energy: -30.379802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.379802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.379802 (E_RNA)
where:
Base-Base interactions energy: -7.853
where: short stacking energy: -5.845
Base-Backbone interact. energy: -0.132
local terms energy: -22.395072
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: 2.572
flat angles P-C4'-P energy: -4.278
tors. eta vs tors. theta energy: 12.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 7
Temperature: 3.200000
Total energy: -20.719369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.719369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.719369 (E_RNA)
where:
Base-Base interactions energy: -4.895
where: short stacking energy: -3.837
Base-Backbone interact. energy: 1.041
local terms energy: -16.865312
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -20.844
flat angles C4'-P-C4' energy: -1.227
flat angles P-C4'-P energy: 4.457
tors. eta vs tors. theta energy: 14.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 3.583333
Total energy: -10.203463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.203463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.203463 (E_RNA)
where:
Base-Base interactions energy: -6.198
where: short stacking energy: -1.614
Base-Backbone interact. energy: 2.545
local terms energy: -6.551203
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -8.291
flat angles C4'-P-C4' energy: -8.910
flat angles P-C4'-P energy: 8.793
tors. eta vs tors. theta energy: 16.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 3.966667
Total energy: -5.909124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.909124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.909124 (E_RNA)
where:
Base-Base interactions energy: -1.978
where: short stacking energy: -1.978
Base-Backbone interact. energy: 6.294
local terms energy: -10.224840
where:
bonds (distance) C4'-P energy: -0.396
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -3.977
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: 21.244
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: 7
=====================================
Write number: 7
Temperature: 4.350000
Total energy: 1.739108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.739108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.739108 (E_RNA)
where:
Base-Base interactions energy: -8.582
where: short stacking energy: -4.301
Base-Backbone interact. energy: 4.853
local terms energy: 5.467425
where:
bonds (distance) C4'-P energy: -2.860
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: 6.328
flat angles P-C4'-P energy: 2.167
tors. eta vs tors. theta energy: 16.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -338.127202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.127202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.127202 (E_RNA)
where:
Base-Base interactions energy: -215.884
where: short stacking energy: -117.400
Base-Backbone interact. energy: -0.554
local terms energy: -121.688563
where:
bonds (distance) C4'-P energy: -21.891
bonds (distance) P-C4' energy: -24.684
flat angles C4'-P-C4' energy: -25.178
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -36.376
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: 2, replica: 2
=====================================
Write number: 8
Temperature: 1.283333
Total energy: -233.181768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.181768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.181768 (E_RNA)
where:
Base-Base interactions energy: -137.415
where: short stacking energy: -68.671
Base-Backbone interact. energy: -0.882
local terms energy: -94.885103
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -21.771
flat angles P-C4'-P energy: -17.876
tors. eta vs tors. theta energy: -11.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.666667
Total energy: -90.199262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.199262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.199262 (E_RNA)
where:
Base-Base interactions energy: -29.382
where: short stacking energy: -28.779
Base-Backbone interact. energy: 2.093
local terms energy: -62.910736
where:
bonds (distance) C4'-P energy: -21.479
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -2.580
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: 5
=====================================
Write number: 8
Temperature: 2.050000
Total energy: -69.666057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.666057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.666057 (E_RNA)
where:
Base-Base interactions energy: -17.674
where: short stacking energy: -17.674
Base-Backbone interact. energy: -0.782
local terms energy: -51.210048
where:
bonds (distance) C4'-P energy: -9.073
bonds (distance) P-C4' energy: -19.494
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: 4.600
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: 8
Temperature: 2.433333
Total energy: -51.677046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.677046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.677046 (E_RNA)
where:
Base-Base interactions energy: -15.125
where: short stacking energy: -13.183
Base-Backbone interact. energy: 0.155
local terms energy: -36.707278
where:
bonds (distance) C4'-P energy: -24.396
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -5.522
tors. eta vs tors. theta energy: 17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 8
Temperature: 2.816667
Total energy: -38.489590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.489590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.489590 (E_RNA)
where:
Base-Base interactions energy: -12.367
where: short stacking energy: -6.802
Base-Backbone interact. energy: -0.658
local terms energy: -25.464826
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -19.114
flat angles C4'-P-C4' energy: 3.898
flat angles P-C4'-P energy: -4.476
tors. eta vs tors. theta energy: 6.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 8
Temperature: 3.200000
Total energy: -31.257573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.257573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.257573 (E_RNA)
where:
Base-Base interactions energy: -5.867
where: short stacking energy: -5.810
Base-Backbone interact. energy: -0.462
local terms energy: -24.928371
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -5.392
flat angles P-C4'-P energy: -0.947
tors. eta vs tors. theta energy: 5.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 8
Temperature: 3.583333
Total energy: -22.170374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.170374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.170374 (E_RNA)
where:
Base-Base interactions energy: -10.095
where: short stacking energy: -7.628
Base-Backbone interact. energy: -0.715
local terms energy: -11.360312
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -4.703
flat angles C4'-P-C4' energy: -7.752
flat angles P-C4'-P energy: 6.132
tors. eta vs tors. theta energy: 9.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 8
Temperature: 3.966667
Total energy: -6.886458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.886458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.886458 (E_RNA)
where:
Base-Base interactions energy: -7.978
where: short stacking energy: -5.967
Base-Backbone interact. energy: 2.347
local terms energy: -1.255717
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -10.596
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: 13.989
tors. eta vs tors. theta energy: 18.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 4.350000
Total energy: -0.833779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.833779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.833779 (E_RNA)
where:
Base-Base interactions energy: -7.239
where: short stacking energy: -6.043
Base-Backbone interact. energy: -0.483
local terms energy: 6.887472
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -5.552
flat angles C4'-P-C4' energy: 7.275
flat angles P-C4'-P energy: 1.607
tors. eta vs tors. theta energy: 16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -341.923522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.923522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.923522 (E_RNA)
where:
Base-Base interactions energy: -211.295
where: short stacking energy: -115.392
Base-Backbone interact. energy: -0.437
local terms energy: -130.191956
where:
bonds (distance) C4'-P energy: -26.337
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -25.138
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -38.644
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: 2
=====================================
Write number: 9
Temperature: 1.283333
Total energy: -252.463984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.463984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.463984 (E_RNA)
where:
Base-Base interactions energy: -148.581
where: short stacking energy: -75.117
Base-Backbone interact. energy: -0.615
local terms energy: -103.268303
where:
bonds (distance) C4'-P energy: -25.328
bonds (distance) P-C4' energy: -24.444
flat angles C4'-P-C4' energy: -23.477
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -15.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.666667
Total energy: -86.253236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.253236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.253236 (E_RNA)
where:
Base-Base interactions energy: -31.769
where: short stacking energy: -23.953
Base-Backbone interact. energy: -0.371
local terms energy: -54.113427
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -1.129
tors. eta vs tors. theta energy: 2.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 9
Temperature: 2.050000
Total energy: -61.437014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.437014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.437014 (E_RNA)
where:
Base-Base interactions energy: -17.017
where: short stacking energy: -10.681
Base-Backbone interact. energy: -1.681
local terms energy: -42.739108
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -23.069
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -0.152
tors. eta vs tors. theta energy: 7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 9
Temperature: 2.433333
Total energy: -49.200737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.200737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.200737 (E_RNA)
where:
Base-Base interactions energy: -18.715
where: short stacking energy: -13.277
Base-Backbone interact. energy: 0.144
local terms energy: -30.629677
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -8.515
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: 14.415
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: 6
=====================================
Write number: 9
Temperature: 2.816667
Total energy: -34.228033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.228033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.228033 (E_RNA)
where:
Base-Base interactions energy: -23.632
where: short stacking energy: -21.522
Base-Backbone interact. energy: -0.718
local terms energy: -9.877909
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: 0.344
flat angles C4'-P-C4' energy: 2.998
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: 9.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 9
Temperature: 3.200000
Total energy: -33.277618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.277618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.277618 (E_RNA)
where:
Base-Base interactions energy: -3.054
where: short stacking energy: -0.586
Base-Backbone interact. energy: -0.439
local terms energy: -29.784230
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: 3.194
tors. eta vs tors. theta energy: 14.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 9
Temperature: 3.583333
Total energy: -13.210767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.210767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.210767 (E_RNA)
where:
Base-Base interactions energy: -7.945
where: short stacking energy: -4.334
Base-Backbone interact. energy: -1.208
local terms energy: -4.057061
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -7.828
flat angles C4'-P-C4' energy: 5.962
flat angles P-C4'-P energy: -3.880
tors. eta vs tors. theta energy: 14.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 9
Temperature: 3.966667
Total energy: -4.939664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.939664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.939664 (E_RNA)
where:
Base-Base interactions energy: -4.656
where: short stacking energy: -1.910
Base-Backbone interact. energy: 4.875
local terms energy: -5.158466
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -1.305
flat angles P-C4'-P energy: 13.927
tors. eta vs tors. theta energy: 13.167
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: 10, replica: 8
=====================================
Write number: 9
Temperature: 4.350000
Total energy: 0.508253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.508253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.508253 (E_RNA)
where:
Base-Base interactions energy: -0.230
where: short stacking energy: -0.664
Base-Backbone interact. energy: 7.093
local terms energy: -6.355284
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -3.332
flat angles P-C4'-P energy: 4.882
tors. eta vs tors. theta energy: 17.202
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: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -350.648644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.648644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.648644 (E_RNA)
where:
Base-Base interactions energy: -215.352
where: short stacking energy: -116.732
Base-Backbone interact. energy: -0.386
local terms energy: -134.910644
where:
bonds (distance) C4'-P energy: -28.666
bonds (distance) P-C4' energy: -25.201
flat angles C4'-P-C4' energy: -26.499
flat angles P-C4'-P energy: -20.965
tors. eta vs tors. theta energy: -33.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 1.283333
Total energy: -241.965958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.965958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.965958 (E_RNA)
where:
Base-Base interactions energy: -161.862
where: short stacking energy: -82.011
Base-Backbone interact. energy: -0.935
local terms energy: -79.168940
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -11.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.666667
Total energy: -84.725285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.725285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.725285 (E_RNA)
where:
Base-Base interactions energy: -25.391
where: short stacking energy: -24.663
Base-Backbone interact. energy: 1.328
local terms energy: -60.661586
where:
bonds (distance) C4'-P energy: -25.062
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: 0.918
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: 4, replica: 5
=====================================
Write number: 10
Temperature: 2.050000
Total energy: -59.301590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.301590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.301590 (E_RNA)
where:
Base-Base interactions energy: -23.499
where: short stacking energy: -17.625
Base-Backbone interact. energy: -0.458
local terms energy: -35.344677
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: 10.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 2.433333
Total energy: -58.857315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.857315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.857315 (E_RNA)
where:
Base-Base interactions energy: -15.240
where: short stacking energy: -9.753
Base-Backbone interact. energy: -1.599
local terms energy: -42.017875
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: 2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 10
Temperature: 2.816667
Total energy: -43.756084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.756084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.756084 (E_RNA)
where:
Base-Base interactions energy: -3.272
where: short stacking energy: -2.494
Base-Backbone interact. energy: -0.263
local terms energy: -40.221430
where:
bonds (distance) C4'-P energy: -23.891
bonds (distance) P-C4' energy: -24.041
flat angles C4'-P-C4' energy: -6.786
flat angles P-C4'-P energy: 4.337
tors. eta vs tors. theta energy: 10.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 10
Temperature: 3.200000
Total energy: -24.249189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.249189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.249189 (E_RNA)
where:
Base-Base interactions energy: -14.703
where: short stacking energy: -13.239
Base-Backbone interact. energy: -0.306
local terms energy: -9.240626
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -8.305
flat angles C4'-P-C4' energy: -6.185
flat angles P-C4'-P energy: 5.038
tors. eta vs tors. theta energy: 11.268
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: 8, replica: 10
=====================================
Write number: 10
Temperature: 3.583333
Total energy: -19.448861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.448861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.448861 (E_RNA)
where:
Base-Base interactions energy: -8.176
where: short stacking energy: -3.275
Base-Backbone interact. energy: 5.434
local terms energy: -16.706810
where:
bonds (distance) C4'-P energy: -6.311
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: 2.612
tors. eta vs tors. theta energy: 11.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 10
Temperature: 3.966667
Total energy: -22.308577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.308577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.308577 (E_RNA)
where:
Base-Base interactions energy: -7.881
where: short stacking energy: -6.286
Base-Backbone interact. energy: -1.000
local terms energy: -13.427469
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -4.806
flat angles P-C4'-P energy: -0.269
tors. eta vs tors. theta energy: 20.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 4.350000
Total energy: -21.918927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.918927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.918927 (E_RNA)
where:
Base-Base interactions energy: 1.213
where: short stacking energy: 1.100
Base-Backbone interact. energy: -0.250
local terms energy: -22.881993
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -8.183
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: 14.717
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: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -348.896116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.896116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.896116 (E_RNA)
where:
Base-Base interactions energy: -216.173
where: short stacking energy: -120.121
Base-Backbone interact. energy: -0.860
local terms energy: -131.862229
where:
bonds (distance) C4'-P energy: -25.068
bonds (distance) P-C4' energy: -25.896
flat angles C4'-P-C4' energy: -29.770
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: -34.227
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: 2, replica: 2
=====================================
Write number: 11
Temperature: 1.283333
Total energy: -226.197291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.197291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.197291 (E_RNA)
where:
Base-Base interactions energy: -145.100
where: short stacking energy: -64.171
Base-Backbone interact. energy: -0.667
local terms energy: -80.429348
where:
bonds (distance) C4'-P energy: -19.678
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -8.683
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: 11
Temperature: 1.666667
Total energy: -88.162340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.162340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.162340 (E_RNA)
where:
Base-Base interactions energy: -35.302
where: short stacking energy: -31.871
Base-Backbone interact. energy: -0.213
local terms energy: -52.647451
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -7.366
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: 1.926
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: 5
=====================================
Write number: 11
Temperature: 2.050000
Total energy: -70.325860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.325860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.325860 (E_RNA)
where:
Base-Base interactions energy: -27.250
where: short stacking energy: -22.934
Base-Backbone interact. energy: -0.226
local terms energy: -42.849162
where:
bonds (distance) C4'-P energy: -9.352
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: 9.705
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: 6
=====================================
Write number: 11
Temperature: 2.433333
Total energy: -50.292208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.292208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.292208 (E_RNA)
where:
Base-Base interactions energy: -15.907
where: short stacking energy: -14.434
Base-Backbone interact. energy: -0.918
local terms energy: -33.467033
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -6.232
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: 13.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 11
Temperature: 2.816667
Total energy: -42.603104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.603104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.603104 (E_RNA)
where:
Base-Base interactions energy: -7.254
where: short stacking energy: -5.108
Base-Backbone interact. energy: -0.772
local terms energy: -34.576880
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -5.067
tors. eta vs tors. theta energy: 17.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 11
Temperature: 3.200000
Total energy: -38.833511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.833511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.833511 (E_RNA)
where:
Base-Base interactions energy: -4.707
where: short stacking energy: -4.556
Base-Backbone interact. energy: 7.003
local terms energy: -41.129468
where:
bonds (distance) C4'-P energy: -23.297
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -6.219
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: 13.092
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: 11
Temperature: 3.583333
Total energy: -25.240764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.240764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.240764 (E_RNA)
where:
Base-Base interactions energy: -6.153
where: short stacking energy: -8.990
Base-Backbone interact. energy: 5.580
local terms energy: -24.668079
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -4.236
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: 15.705
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: 10
=====================================
Write number: 11
Temperature: 3.966667
Total energy: -9.032320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.032320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.032320 (E_RNA)
where:
Base-Base interactions energy: -3.269
where: short stacking energy: -3.269
Base-Backbone interact. energy: -0.572
local terms energy: -5.191716
where:
bonds (distance) C4'-P energy: -9.559
bonds (distance) P-C4' energy: -11.012
flat angles C4'-P-C4' energy: -5.633
flat angles P-C4'-P energy: 9.888
tors. eta vs tors. theta energy: 11.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 4.350000
Total energy: -1.562759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.562759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.562759 (E_RNA)
where:
Base-Base interactions energy: -7.904
where: short stacking energy: -7.745
Base-Backbone interact. energy: 0.773
local terms energy: 5.568068
where:
bonds (distance) C4'-P energy: -1.750
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -0.532
flat angles P-C4'-P energy: -0.473
tors. eta vs tors. theta energy: 21.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -348.039949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.039949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.039949 (E_RNA)
where:
Base-Base interactions energy: -225.898
where: short stacking energy: -124.274
Base-Backbone interact. energy: 0.608
local terms energy: -122.749576
where:
bonds (distance) C4'-P energy: -28.098
bonds (distance) P-C4' energy: -22.248
flat angles C4'-P-C4' energy: -23.867
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -32.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 1.283333
Total energy: -202.041866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.041866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.041866 (E_RNA)
where:
Base-Base interactions energy: -115.684
where: short stacking energy: -48.780
Base-Backbone interact. energy: 0.267
local terms energy: -86.624758
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -24.213
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.666667
Total energy: -87.586509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.586509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.586509 (E_RNA)
where:
Base-Base interactions energy: -30.915
where: short stacking energy: -20.831
Base-Backbone interact. energy: -0.420
local terms energy: -56.251692
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: 3.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 12
Temperature: 2.050000
Total energy: -65.737455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.737455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.737455 (E_RNA)
where:
Base-Base interactions energy: -28.206
where: short stacking energy: -11.760
Base-Backbone interact. energy: -0.184
local terms energy: -37.347418
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -2.036
tors. eta vs tors. theta energy: 14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 12
Temperature: 2.433333
Total energy: -56.205336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.205336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.205336 (E_RNA)
where:
Base-Base interactions energy: -9.153
where: short stacking energy: -7.298
Base-Backbone interact. energy: -0.347
local terms energy: -46.705880
where:
bonds (distance) C4'-P energy: -22.208
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: 14.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 12
Temperature: 2.816667
Total energy: -37.776418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.776418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.776418 (E_RNA)
where:
Base-Base interactions energy: -13.468
where: short stacking energy: -6.994
Base-Backbone interact. energy: 3.552
local terms energy: -27.860114
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -1.836
tors. eta vs tors. theta energy: 17.043
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: 7, replica: 9
=====================================
Write number: 12
Temperature: 3.200000
Total energy: -25.966136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.966136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.966136 (E_RNA)
where:
Base-Base interactions energy: -8.437
where: short stacking energy: -8.309
Base-Backbone interact. energy: -0.187
local terms energy: -17.342426
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: 5.012
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: 7.655
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: 7
=====================================
Write number: 12
Temperature: 3.583333
Total energy: -16.237844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.237844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.237844 (E_RNA)
where:
Base-Base interactions energy: -2.011
where: short stacking energy: -2.011
Base-Backbone interact. energy: -0.359
local terms energy: -13.867729
where:
bonds (distance) C4'-P energy: -8.052
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -6.163
flat angles P-C4'-P energy: 5.652
tors. eta vs tors. theta energy: 12.576
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: 8
=====================================
Write number: 12
Temperature: 3.966667
Total energy: -7.699084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.699084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.699084 (E_RNA)
where:
Base-Base interactions energy: -8.032
where: short stacking energy: -0.585
Base-Backbone interact. energy: 4.506
local terms energy: -4.173173
where:
bonds (distance) C4'-P energy: -8.083
bonds (distance) P-C4' energy: -6.023
flat angles C4'-P-C4' energy: -7.649
flat angles P-C4'-P energy: 2.627
tors. eta vs tors. theta energy: 14.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 4.350000
Total energy: -13.031957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.031957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.031957 (E_RNA)
where:
Base-Base interactions energy: -6.690
where: short stacking energy: -4.660
Base-Backbone interact. energy: 7.110
local terms energy: -13.452528
where:
bonds (distance) C4'-P energy: -4.979
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -3.820
flat angles P-C4'-P energy: -1.410
tors. eta vs tors. theta energy: 10.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -339.568537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.568537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.568537 (E_RNA)
where:
Base-Base interactions energy: -210.890
where: short stacking energy: -111.405
Base-Backbone interact. energy: -0.477
local terms energy: -128.201381
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -24.452
flat angles C4'-P-C4' energy: -25.344
flat angles P-C4'-P energy: -16.472
tors. eta vs tors. theta energy: -35.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 1.283333
Total energy: -203.418034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.418034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.418034 (E_RNA)
where:
Base-Base interactions energy: -117.491
where: short stacking energy: -60.079
Base-Backbone interact. energy: -0.029
local terms energy: -85.898944
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: -9.937
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: 13
Temperature: 1.666667
Total energy: -91.400838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.400838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.400838 (E_RNA)
where:
Base-Base interactions energy: -32.930
where: short stacking energy: -15.886
Base-Backbone interact. energy: 0.763
local terms energy: -59.233876
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -22.382
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: 5.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 13
Temperature: 2.050000
Total energy: -64.254091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.254091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.254091 (E_RNA)
where:
Base-Base interactions energy: -20.989
where: short stacking energy: -20.989
Base-Backbone interact. energy: -0.266
local terms energy: -42.998897
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -7.149
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: 6.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 13
Temperature: 2.433333
Total energy: -62.835186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.835186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.835186 (E_RNA)
where:
Base-Base interactions energy: -15.352
where: short stacking energy: -14.476
Base-Backbone interact. energy: -0.322
local terms energy: -47.160788
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: 0.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 13
Temperature: 2.816667
Total energy: -37.455891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.455891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.455891 (E_RNA)
where:
Base-Base interactions energy: -8.792
where: short stacking energy: -9.692
Base-Backbone interact. energy: 2.376
local terms energy: -31.040410
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -5.185
tors. eta vs tors. theta energy: 17.714
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: 9
=====================================
Write number: 13
Temperature: 3.200000
Total energy: -32.408344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.408344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.408344 (E_RNA)
where:
Base-Base interactions energy: -8.748
where: short stacking energy: -8.848
Base-Backbone interact. energy: 1.463
local terms energy: -25.123286
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -7.363
flat angles C4'-P-C4' energy: -3.324
flat angles P-C4'-P energy: -4.005
tors. eta vs tors. theta energy: 10.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 3.583333
Total energy: -21.731091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.731091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.731091 (E_RNA)
where:
Base-Base interactions energy: -9.255
where: short stacking energy: -8.423
Base-Backbone interact. energy: -0.477
local terms energy: -11.999301
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: 4.649
flat angles P-C4'-P energy: -1.104
tors. eta vs tors. theta energy: 19.463
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: 7
=====================================
Write number: 13
Temperature: 3.966667
Total energy: -9.958904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.958904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.958904 (E_RNA)
where:
Base-Base interactions energy: -4.591
where: short stacking energy: 1.100
Base-Backbone interact. energy: 0.986
local terms energy: -6.354692
where:
bonds (distance) C4'-P energy: -6.785
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: 1.037
flat angles P-C4'-P energy: 0.849
tors. eta vs tors. theta energy: 18.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 4.350000
Total energy: -13.761311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.761311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.761311 (E_RNA)
where:
Base-Base interactions energy: -7.111
where: short stacking energy: -7.522
Base-Backbone interact. energy: -0.173
local terms energy: -6.477569
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -8.288
flat angles P-C4'-P energy: 10.616
tors. eta vs tors. theta energy: 19.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -339.385173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.385173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.385173 (E_RNA)
where:
Base-Base interactions energy: -215.197
where: short stacking energy: -120.744
Base-Backbone interact. energy: -2.365
local terms energy: -121.823160
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -25.097
flat angles P-C4'-P energy: -20.418
tors. eta vs tors. theta energy: -32.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 1.283333
Total energy: -226.103987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.103987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.103987 (E_RNA)
where:
Base-Base interactions energy: -138.142
where: short stacking energy: -74.775
Base-Backbone interact. energy: 1.611
local terms energy: -89.573566
where:
bonds (distance) C4'-P energy: -19.066
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -22.409
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -15.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 14
Temperature: 1.666667
Total energy: -77.770685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.770685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.770685 (E_RNA)
where:
Base-Base interactions energy: -24.777
where: short stacking energy: -24.777
Base-Backbone interact. energy: 1.401
local terms energy: -54.394340
where:
bonds (distance) C4'-P energy: -21.870
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: 3.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 2.050000
Total energy: -60.638721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.638721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.638721 (E_RNA)
where:
Base-Base interactions energy: -12.671
where: short stacking energy: -10.851
Base-Backbone interact. energy: 2.029
local terms energy: -49.996466
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: 8.714
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: 6
=====================================
Write number: 14
Temperature: 2.433333
Total energy: -43.301255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.301255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.301255 (E_RNA)
where:
Base-Base interactions energy: -23.605
where: short stacking energy: -12.083
Base-Backbone interact. energy: 1.759
local terms energy: -21.454635
where:
bonds (distance) C4'-P energy: -9.005
bonds (distance) P-C4' energy: -6.226
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -3.327
tors. eta vs tors. theta energy: 8.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 14
Temperature: 2.816667
Total energy: -35.512700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.512700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.512700 (E_RNA)
where:
Base-Base interactions energy: -7.503
where: short stacking energy: -3.423
Base-Backbone interact. energy: 0.743
local terms energy: -28.752071
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -21.428
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -1.249
tors. eta vs tors. theta energy: 16.099
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: 8
=====================================
Write number: 14
Temperature: 3.200000
Total energy: -27.410476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.410476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.410476 (E_RNA)
where:
Base-Base interactions energy: -4.694
where: short stacking energy: -2.009
Base-Backbone interact. energy: 6.464
local terms energy: -29.180628
where:
bonds (distance) C4'-P energy: -5.660
bonds (distance) P-C4' energy: -19.673
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: 3.289
tors. eta vs tors. theta energy: 8.829
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: 14
Temperature: 3.583333
Total energy: -16.946827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.946827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.946827 (E_RNA)
where:
Base-Base interactions energy: -1.408
where: short stacking energy: -1.908
Base-Backbone interact. energy: 1.959
local terms energy: -17.497348
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -1.424
flat angles P-C4'-P energy: -4.662
tors. eta vs tors. theta energy: 15.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 14
Temperature: 3.966667
Total energy: -23.171229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.171229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.171229 (E_RNA)
where:
Base-Base interactions energy: -5.701
where: short stacking energy: -5.121
Base-Backbone interact. energy: -0.488
local terms energy: -16.982160
where:
bonds (distance) C4'-P energy: -7.832
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: 3.740
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: 11.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 4.350000
Total energy: -1.230228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.230228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.230228 (E_RNA)
where:
Base-Base interactions energy: -9.997
where: short stacking energy: -3.953
Base-Backbone interact. energy: 2.698
local terms energy: 6.068497
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -6.002
flat angles C4'-P-C4' energy: -5.939
flat angles P-C4'-P energy: 18.140
tors. eta vs tors. theta energy: 18.235
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: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -353.876828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.876828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.876828 (E_RNA)
where:
Base-Base interactions energy: -224.074
where: short stacking energy: -119.324
Base-Backbone interact. energy: -1.623
local terms energy: -128.180070
where:
bonds (distance) C4'-P energy: -21.828
bonds (distance) P-C4' energy: -30.676
flat angles C4'-P-C4' energy: -24.174
flat angles P-C4'-P energy: -18.093
tors. eta vs tors. theta energy: -33.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 15
Temperature: 1.283333
Total energy: -232.036428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.036428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.036428 (E_RNA)
where:
Base-Base interactions energy: -141.785
where: short stacking energy: -61.652
Base-Backbone interact. energy: -0.137
local terms energy: -90.114405
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -26.022
flat angles P-C4'-P energy: -16.348
tors. eta vs tors. theta energy: -9.915
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: 3, replica: 5
=====================================
Write number: 15
Temperature: 1.666667
Total energy: -83.144553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.144553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.144553 (E_RNA)
where:
Base-Base interactions energy: -21.307
where: short stacking energy: -11.567
Base-Backbone interact. energy: -0.789
local terms energy: -61.048395
where:
bonds (distance) C4'-P energy: -26.271
bonds (distance) P-C4' energy: -23.269
flat angles C4'-P-C4' energy: -8.520
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: 8.785
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: 4, replica: 3
=====================================
Write number: 15
Temperature: 2.050000
Total energy: -63.489483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.489483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.489483 (E_RNA)
where:
Base-Base interactions energy: -9.859
where: short stacking energy: -9.859
Base-Backbone interact. energy: 1.372
local terms energy: -55.002962
where:
bonds (distance) C4'-P energy: -23.686
bonds (distance) P-C4' energy: -22.296
flat angles C4'-P-C4' energy: -7.959
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: 8.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 15
Temperature: 2.433333
Total energy: -45.582985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.582985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.582985 (E_RNA)
where:
Base-Base interactions energy: -13.893
where: short stacking energy: -13.942
Base-Backbone interact. energy: -0.355
local terms energy: -31.334439
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -18.356
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: 15.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 15
Temperature: 2.816667
Total energy: -35.332810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.332810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.332810 (E_RNA)
where:
Base-Base interactions energy: -4.062
where: short stacking energy: -2.839
Base-Backbone interact. energy: -0.684
local terms energy: -30.586763
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -3.674
tors. eta vs tors. theta energy: 12.622
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: 4
=====================================
Write number: 15
Temperature: 3.200000
Total energy: -24.981867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.981867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.981867 (E_RNA)
where:
Base-Base interactions energy: -9.969
where: short stacking energy: -8.725
Base-Backbone interact. energy: 1.374
local terms energy: -16.386777
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -5.161
flat angles P-C4'-P energy: 5.088
tors. eta vs tors. theta energy: 11.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 15
Temperature: 3.583333
Total energy: -16.057708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.057708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.057708 (E_RNA)
where:
Base-Base interactions energy: -11.523
where: short stacking energy: -8.722
Base-Backbone interact. energy: -0.638
local terms energy: -3.896420
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: 5.954
flat angles P-C4'-P energy: -0.148
tors. eta vs tors. theta energy: 15.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 15
Temperature: 3.966667
Total energy: -16.115946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.115946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.115946 (E_RNA)
where:
Base-Base interactions energy: -8.799
where: short stacking energy: -7.293
Base-Backbone interact. energy: -1.389
local terms energy: -5.928280
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -7.196
flat angles C4'-P-C4' energy: 0.330
flat angles P-C4'-P energy: -0.706
tors. eta vs tors. theta energy: 17.001
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: 10, replica: 10
=====================================
Write number: 15
Temperature: 4.350000
Total energy: -0.253861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.253861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.253861 (E_RNA)
where:
Base-Base interactions energy: -5.280
where: short stacking energy: -5.517
Base-Backbone interact. energy: -0.442
local terms energy: 5.468930
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -7.532
flat angles C4'-P-C4' energy: 13.199
flat angles P-C4'-P energy: -2.764
tors. eta vs tors. theta energy: 14.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -352.958783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.958783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.958783 (E_RNA)
where:
Base-Base interactions energy: -231.771
where: short stacking energy: -123.097
Base-Backbone interact. energy: -0.244
local terms energy: -120.943528
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -29.326
flat angles P-C4'-P energy: -22.442
tors. eta vs tors. theta energy: -31.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 1.283333
Total energy: -243.878016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.878016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.878016 (E_RNA)
where:
Base-Base interactions energy: -149.026
where: short stacking energy: -82.728
Base-Backbone interact. energy: -0.093
local terms energy: -94.759108
where:
bonds (distance) C4'-P energy: -18.958
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -25.014
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.666667
Total energy: -89.054050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.054050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.054050 (E_RNA)
where:
Base-Base interactions energy: -37.367
where: short stacking energy: -33.494
Base-Backbone interact. energy: -0.391
local terms energy: -51.296529
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -24.244
flat angles C4'-P-C4' energy: -3.660
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 2.050000
Total energy: -61.953697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.953697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.953697 (E_RNA)
where:
Base-Base interactions energy: -13.289
where: short stacking energy: -13.289
Base-Backbone interact. energy: -0.904
local terms energy: -47.760165
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -6.079
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: 3.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 16
Temperature: 2.433333
Total energy: -49.276457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.276457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.276457 (E_RNA)
where:
Base-Base interactions energy: -9.149
where: short stacking energy: -8.118
Base-Backbone interact. energy: -0.389
local terms energy: -39.738787
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -5.277
flat angles P-C4'-P energy: -9.928
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: 6, replica: 8
=====================================
Write number: 16
Temperature: 2.816667
Total energy: -31.508088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.508088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.508088 (E_RNA)
where:
Base-Base interactions energy: -1.278
where: short stacking energy: -1.261
Base-Backbone interact. energy: -0.053
local terms energy: -30.177662
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: 15.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 16
Temperature: 3.200000
Total energy: -27.909567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.909567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.909567 (E_RNA)
where:
Base-Base interactions energy: -2.054
where: short stacking energy: -1.890
Base-Backbone interact. energy: -0.882
local terms energy: -24.974190
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: 0.103
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: 12.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 16
Temperature: 3.583333
Total energy: -17.602991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.602991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.602991 (E_RNA)
where:
Base-Base interactions energy: -0.789
where: short stacking energy: -0.722
Base-Backbone interact. energy: -0.197
local terms energy: -16.616685
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: 6.617
flat angles P-C4'-P energy: -5.365
tors. eta vs tors. theta energy: 12.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 3.966667
Total energy: -7.387601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.387601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.387601 (E_RNA)
where:
Base-Base interactions energy: -10.575
where: short stacking energy: -4.166
Base-Backbone interact. energy: 4.206
local terms energy: -1.018165
where:
bonds (distance) C4'-P energy: -7.859
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: 3.338
flat angles P-C4'-P energy: -2.992
tors. eta vs tors. theta energy: 20.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 16
Temperature: 4.350000
Total energy: 0.417481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.417481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.417481 (E_RNA)
where:
Base-Base interactions energy: -5.708
where: short stacking energy: 0.200
Base-Backbone interact. energy: 7.254
local terms energy: -1.128208
where:
bonds (distance) C4'-P energy: -7.182
bonds (distance) P-C4' energy: -9.889
flat angles C4'-P-C4' energy: -3.618
flat angles P-C4'-P energy: 0.983
tors. eta vs tors. theta energy: 18.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -346.634775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.634775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.634775 (E_RNA)
where:
Base-Base interactions energy: -221.706
where: short stacking energy: -118.102
Base-Backbone interact. energy: -1.270
local terms energy: -123.658880
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -28.612
flat angles C4'-P-C4' energy: -25.285
flat angles P-C4'-P energy: -17.956
tors. eta vs tors. theta energy: -33.247
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: 2
=====================================
Write number: 17
Temperature: 1.283333
Total energy: -250.624907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.624907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.624907 (E_RNA)
where:
Base-Base interactions energy: -167.035
where: short stacking energy: -78.945
Base-Backbone interact. energy: -0.150
local terms energy: -83.439764
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.666667
Total energy: -84.201502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.201502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.201502 (E_RNA)
where:
Base-Base interactions energy: -22.315
where: short stacking energy: -11.778
Base-Backbone interact. energy: 1.738
local terms energy: -63.623963
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -24.859
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: 6.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 2.050000
Total energy: -71.524856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.524856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.524856 (E_RNA)
where:
Base-Base interactions energy: -19.584
where: short stacking energy: -18.177
Base-Backbone interact. energy: -1.350
local terms energy: -50.590348
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -18.124
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: 10.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 17
Temperature: 2.433333
Total energy: -44.837396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.837396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.837396 (E_RNA)
where:
Base-Base interactions energy: -7.842
where: short stacking energy: -1.905
Base-Backbone interact. energy: 5.136
local terms energy: -42.131689
where:
bonds (distance) C4'-P energy: -21.444
bonds (distance) P-C4' energy: -21.952
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -3.084
tors. eta vs tors. theta energy: 16.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 17
Temperature: 2.816667
Total energy: -35.460658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.460658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.460658 (E_RNA)
where:
Base-Base interactions energy: -7.503
where: short stacking energy: -4.326
Base-Backbone interact. energy: -0.604
local terms energy: -27.353661
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: 0.954
flat angles P-C4'-P energy: -2.942
tors. eta vs tors. theta energy: 6.743
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: 4
=====================================
Write number: 17
Temperature: 3.200000
Total energy: -25.121648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.121648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.121648 (E_RNA)
where:
Base-Base interactions energy: -10.815
where: short stacking energy: -7.357
Base-Backbone interact. energy: 1.102
local terms energy: -15.409008
where:
bonds (distance) C4'-P energy: -3.809
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: 4.248
tors. eta vs tors. theta energy: 15.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 17
Temperature: 3.583333
Total energy: -20.653441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.653441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.653441 (E_RNA)
where:
Base-Base interactions energy: -13.364
where: short stacking energy: -8.581
Base-Backbone interact. energy: 1.129
local terms energy: -8.418398
where:
bonds (distance) C4'-P energy: -6.698
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -4.973
flat angles P-C4'-P energy: 6.029
tors. eta vs tors. theta energy: 11.644
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: 9
=====================================
Write number: 17
Temperature: 3.966667
Total energy: -7.118340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.118340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.118340 (E_RNA)
where:
Base-Base interactions energy: -0.293
where: short stacking energy: 0.000
Base-Backbone interact. energy: 11.957
local terms energy: -18.781581
where:
bonds (distance) C4'-P energy: -8.975
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -6.932
flat angles P-C4'-P energy: -2.301
tors. eta vs tors. theta energy: 14.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 17
Temperature: 4.350000
Total energy: -0.557139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.557139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.557139 (E_RNA)
where:
Base-Base interactions energy: -8.144
where: short stacking energy: -4.918
Base-Backbone interact. energy: -0.849
local terms energy: 8.435542
where:
bonds (distance) C4'-P energy: -3.863
bonds (distance) P-C4' energy: 0.911
flat angles C4'-P-C4' energy: -5.791
flat angles P-C4'-P energy: -1.285
tors. eta vs tors. theta energy: 18.464
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: 18
Temperature: 0.900000
Total energy: -340.575065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.575065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.575065 (E_RNA)
where:
Base-Base interactions energy: -205.677
where: short stacking energy: -109.494
Base-Backbone interact. energy: -0.007
local terms energy: -134.890781
where:
bonds (distance) C4'-P energy: -22.661
bonds (distance) P-C4' energy: -24.451
flat angles C4'-P-C4' energy: -28.719
flat angles P-C4'-P energy: -20.758
tors. eta vs tors. theta energy: -38.301
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: 2, replica: 2
=====================================
Write number: 18
Temperature: 1.283333
Total energy: -242.164452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.164452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.164452 (E_RNA)
where:
Base-Base interactions energy: -147.588
where: short stacking energy: -75.588
Base-Backbone interact. energy: 0.372
local terms energy: -94.949000
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -16.747
tors. eta vs tors. theta energy: -17.473
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: 5
=====================================
Write number: 18
Temperature: 1.666667
Total energy: -78.976319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.976319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.976319 (E_RNA)
where:
Base-Base interactions energy: -17.259
where: short stacking energy: -16.603
Base-Backbone interact. energy: -0.355
local terms energy: -61.362649
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -21.657
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -17.128
tors. eta vs tors. theta energy: 6.717
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: 3
=====================================
Write number: 18
Temperature: 2.050000
Total energy: -64.151246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.151246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.151246 (E_RNA)
where:
Base-Base interactions energy: -22.140
where: short stacking energy: -13.269
Base-Backbone interact. energy: -0.550
local terms energy: -41.460476
where:
bonds (distance) C4'-P energy: -20.979
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: 13.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 18
Temperature: 2.433333
Total energy: -50.620078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.620078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.620078 (E_RNA)
where:
Base-Base interactions energy: -14.922
where: short stacking energy: -13.228
Base-Backbone interact. energy: 0.079
local terms energy: -35.777011
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: 10.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 18
Temperature: 2.816667
Total energy: -31.381758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.381758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.381758 (E_RNA)
where:
Base-Base interactions energy: -5.415
where: short stacking energy: -5.415
Base-Backbone interact. energy: 2.659
local terms energy: -28.625669
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -6.421
flat angles P-C4'-P energy: 0.844
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: 7, replica: 4
=====================================
Write number: 18
Temperature: 3.200000
Total energy: -27.953297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.953297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.953297 (E_RNA)
where:
Base-Base interactions energy: -1.815
where: short stacking energy: -1.097
Base-Backbone interact. energy: 0.405
local terms energy: -26.543644
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -0.702
tors. eta vs tors. theta energy: 16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 18
Temperature: 3.583333
Total energy: -11.766677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.766677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.766677 (E_RNA)
where:
Base-Base interactions energy: -6.732
where: short stacking energy: -6.732
Base-Backbone interact. energy: 3.529
local terms energy: -8.563664
where:
bonds (distance) C4'-P energy: -0.037
bonds (distance) P-C4' energy: -8.510
flat angles C4'-P-C4' energy: -4.036
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: 10.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 18
Temperature: 3.966667
Total energy: -10.387881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.387881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.387881 (E_RNA)
where:
Base-Base interactions energy: -3.470
where: short stacking energy: 0.249
Base-Backbone interact. energy: -0.117
local terms energy: -6.801171
where:
bonds (distance) C4'-P energy: -3.636
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -5.533
flat angles P-C4'-P energy: 3.678
tors. eta vs tors. theta energy: 12.313
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: 10, replica: 9
=====================================
Write number: 18
Temperature: 4.350000
Total energy: 0.355339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.355339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.355339 (E_RNA)
where:
Base-Base interactions energy: -1.934
where: short stacking energy: 0.000
Base-Backbone interact. energy: 2.407
local terms energy: -0.117809
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: 9.951
flat angles P-C4'-P energy: 5.967
tors. eta vs tors. theta energy: 15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -345.705223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.705223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.705223 (E_RNA)
where:
Base-Base interactions energy: -216.121
where: short stacking energy: -116.095
Base-Backbone interact. energy: -0.081
local terms energy: -129.502400
where:
bonds (distance) C4'-P energy: -22.461
bonds (distance) P-C4' energy: -28.633
flat angles C4'-P-C4' energy: -26.812
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -37.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 19
Temperature: 1.283333
Total energy: -240.536399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.536399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.536399 (E_RNA)
where:
Base-Base interactions energy: -156.155
where: short stacking energy: -75.312
Base-Backbone interact. energy: -0.985
local terms energy: -83.395646
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -26.540
flat angles C4'-P-C4' energy: -20.497
flat angles P-C4'-P energy: -4.061
tors. eta vs tors. theta energy: -16.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 19
Temperature: 1.666667
Total energy: -86.789056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.789056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.789056 (E_RNA)
where:
Base-Base interactions energy: -22.506
where: short stacking energy: -22.806
Base-Backbone interact. energy: 0.887
local terms energy: -65.169618
where:
bonds (distance) C4'-P energy: -21.912
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: 2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 19
Temperature: 2.050000
Total energy: -59.187865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.187865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.187865 (E_RNA)
where:
Base-Base interactions energy: -23.811
where: short stacking energy: -17.442
Base-Backbone interact. energy: 5.468
local terms energy: -40.845621
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -4.962
tors. eta vs tors. theta energy: 12.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 19
Temperature: 2.433333
Total energy: -43.752874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.752874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.752874 (E_RNA)
where:
Base-Base interactions energy: -15.306
where: short stacking energy: -14.580
Base-Backbone interact. energy: -0.451
local terms energy: -27.996118
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: 1.979
tors. eta vs tors. theta energy: 14.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 19
Temperature: 2.816667
Total energy: -48.359910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.359910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.359910 (E_RNA)
where:
Base-Base interactions energy: -22.319
where: short stacking energy: -10.662
Base-Backbone interact. energy: -0.619
local terms energy: -25.422189
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -7.955
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: 15.424
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: 7, replica: 8
=====================================
Write number: 19
Temperature: 3.200000
Total energy: -21.299383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.299383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.299383 (E_RNA)
where:
Base-Base interactions energy: -5.095
where: short stacking energy: -5.095
Base-Backbone interact. energy: 3.074
local terms energy: -19.278312
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: 2.896
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: 13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 19
Temperature: 3.583333
Total energy: -15.187228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.187228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.187228 (E_RNA)
where:
Base-Base interactions energy: -5.250
where: short stacking energy: -2.503
Base-Backbone interact. energy: -0.383
local terms energy: -9.554170
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -1.133
flat angles P-C4'-P energy: 11.689
tors. eta vs tors. theta energy: 12.270
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: 10
=====================================
Write number: 19
Temperature: 3.966667
Total energy: -12.708010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.708010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.708010 (E_RNA)
where:
Base-Base interactions energy: -0.645
where: short stacking energy: 1.673
Base-Backbone interact. energy: 2.766
local terms energy: -14.829226
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: 6.212
tors. eta vs tors. theta energy: 17.629
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: 9
=====================================
Write number: 19
Temperature: 4.350000
Total energy: -4.122908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.122908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.122908 (E_RNA)
where:
Base-Base interactions energy: 2.465
where: short stacking energy: 2.500
Base-Backbone interact. energy: 3.083
local terms energy: -9.670524
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -5.312
flat angles C4'-P-C4' energy: -9.109
flat angles P-C4'-P energy: 2.328
tors. eta vs tors. theta energy: 13.736
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: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -338.043390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.043390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.043390 (E_RNA)
where:
Base-Base interactions energy: -211.626
where: short stacking energy: -116.237
Base-Backbone interact. energy: -0.365
local terms energy: -126.052739
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -25.939
flat angles C4'-P-C4' energy: -25.901
flat angles P-C4'-P energy: -18.167
tors. eta vs tors. theta energy: -34.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 1.283333
Total energy: -200.355632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.355632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.355632 (E_RNA)
where:
Base-Base interactions energy: -118.824
where: short stacking energy: -63.284
Base-Backbone interact. energy: 2.906
local terms energy: -84.437244
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -13.860
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: 5
=====================================
Write number: 20
Temperature: 1.666667
Total energy: -89.866567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.866567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.866567 (E_RNA)
where:
Base-Base interactions energy: -25.332
where: short stacking energy: -25.432
Base-Backbone interact. energy: -0.591
local terms energy: -63.943873
where:
bonds (distance) C4'-P energy: -23.890
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -1.270
tors. eta vs tors. theta energy: -0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 20
Temperature: 2.050000
Total energy: -68.092633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.092633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.092633 (E_RNA)
where:
Base-Base interactions energy: -15.069
where: short stacking energy: -15.069
Base-Backbone interact. energy: -0.271
local terms energy: -52.752374
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -23.336
flat angles C4'-P-C4' energy: -9.268
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: 4.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 20
Temperature: 2.433333
Total energy: -42.887479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.887479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.887479 (E_RNA)
where:
Base-Base interactions energy: -2.341
where: short stacking energy: -0.876
Base-Backbone interact. energy: -0.623
local terms energy: -39.923566
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -3.394
tors. eta vs tors. theta energy: 8.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 20
Temperature: 2.816667
Total energy: -37.974344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.974344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.974344 (E_RNA)
where:
Base-Base interactions energy: -6.677
where: short stacking energy: -8.929
Base-Backbone interact. energy: -1.388
local terms energy: -29.909459
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -7.413
flat angles C4'-P-C4' energy: -7.734
flat angles P-C4'-P energy: -2.346
tors. eta vs tors. theta energy: 10.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 3.200000
Total energy: -18.661040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.661040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.661040 (E_RNA)
where:
Base-Base interactions energy: -11.616
where: short stacking energy: -11.099
Base-Backbone interact. energy: 0.168
local terms energy: -7.212732
where:
bonds (distance) C4'-P energy: -1.664
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -1.697
flat angles P-C4'-P energy: -3.212
tors. eta vs tors. theta energy: 13.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 3.583333
Total energy: -15.559762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.559762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.559762 (E_RNA)
where:
Base-Base interactions energy: -5.536
where: short stacking energy: -3.069
Base-Backbone interact. energy: 3.356
local terms energy: -13.379707
where:
bonds (distance) C4'-P energy: -6.193
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -7.831
flat angles P-C4'-P energy: 3.583
tors. eta vs tors. theta energy: 15.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 20
Temperature: 3.966667
Total energy: -7.799679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.799679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.799679 (E_RNA)
where:
Base-Base interactions energy: -0.304
where: short stacking energy: -2.834
Base-Backbone interact. energy: -1.917
local terms energy: -5.578973
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -0.056
flat angles C4'-P-C4' energy: -5.622
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: 17.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 4.350000
Total energy: -0.733966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.733966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.733966 (E_RNA)
where:
Base-Base interactions energy: -10.043
where: short stacking energy: -10.043
Base-Backbone interact. energy: 3.695
local terms energy: 5.613480
where:
bonds (distance) C4'-P energy: -2.545
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -5.690
flat angles P-C4'-P energy: 14.348
tors. eta vs tors. theta energy: 12.033
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: 21
Temperature: 0.900000
Total energy: -353.275326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.275326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.275326 (E_RNA)
where:
Base-Base interactions energy: -224.096
where: short stacking energy: -116.254
Base-Backbone interact. energy: 0.626
local terms energy: -129.805536
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -24.326
flat angles C4'-P-C4' energy: -24.719
flat angles P-C4'-P energy: -20.757
tors. eta vs tors. theta energy: -36.865
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: 2, replica: 2
=====================================
Write number: 21
Temperature: 1.283333
Total energy: -217.248099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.248099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.248099 (E_RNA)
where:
Base-Base interactions energy: -129.859
where: short stacking energy: -55.147
Base-Backbone interact. energy: -0.213
local terms energy: -87.176182
where:
bonds (distance) C4'-P energy: -23.071
bonds (distance) P-C4' energy: -24.021
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -6.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.666667
Total energy: -88.503843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.503843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.503843 (E_RNA)
where:
Base-Base interactions energy: -32.313
where: short stacking energy: -23.720
Base-Backbone interact. energy: 1.131
local terms energy: -57.321953
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: 5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 21
Temperature: 2.050000
Total energy: -63.232371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.232371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.232371 (E_RNA)
where:
Base-Base interactions energy: -17.128
where: short stacking energy: -10.697
Base-Backbone interact. energy: 0.028
local terms energy: -46.132491
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -21.907
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -3.872
tors. eta vs tors. theta energy: 11.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 21
Temperature: 2.433333
Total energy: -45.020426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.020426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.020426 (E_RNA)
where:
Base-Base interactions energy: -9.506
where: short stacking energy: -5.942
Base-Backbone interact. energy: 1.505
local terms energy: -37.019059
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -5.054
tors. eta vs tors. theta energy: 17.978
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: 4
=====================================
Write number: 21
Temperature: 2.816667
Total energy: -36.933545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.933545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.933545 (E_RNA)
where:
Base-Base interactions energy: -10.012
where: short stacking energy: -5.082
Base-Backbone interact. energy: 1.139
local terms energy: -28.060710
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -7.255
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: 1.147
tors. eta vs tors. theta energy: 11.479
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: 7, replica: 7
=====================================
Write number: 21
Temperature: 3.200000
Total energy: -23.146328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.146328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.146328 (E_RNA)
where:
Base-Base interactions energy: -13.743
where: short stacking energy: -9.808
Base-Backbone interact. energy: 2.891
local terms energy: -12.295058
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: 1.292
flat angles P-C4'-P energy: 1.947
tors. eta vs tors. theta energy: 12.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 21
Temperature: 3.583333
Total energy: -14.848751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.848751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.848751 (E_RNA)
where:
Base-Base interactions energy: 1.641
where: short stacking energy: 2.500
Base-Backbone interact. energy: -0.737
local terms energy: -15.752792
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -7.353
flat angles P-C4'-P energy: 5.041
tors. eta vs tors. theta energy: 15.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 3.966667
Total energy: -17.164633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.164633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.164633 (E_RNA)
where:
Base-Base interactions energy: -1.160
where: short stacking energy: -1.642
Base-Backbone interact. energy: 1.269
local terms energy: -17.273769
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -3.690
flat angles P-C4'-P energy: 2.850
tors. eta vs tors. theta energy: 13.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 21
Temperature: 4.350000
Total energy: -2.539637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.539637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.539637 (E_RNA)
where:
Base-Base interactions energy: -3.385
where: short stacking energy: -3.234
Base-Backbone interact. energy: 4.373
local terms energy: -3.527739
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -3.831
flat angles C4'-P-C4' energy: -0.525
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: 16.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -347.355512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.355512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.355512 (E_RNA)
where:
Base-Base interactions energy: -219.001
where: short stacking energy: -119.354
Base-Backbone interact. energy: -1.000
local terms energy: -127.354359
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -25.780
flat angles P-C4'-P energy: -19.949
tors. eta vs tors. theta energy: -38.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 1.283333
Total energy: -204.555539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.555539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.555539 (E_RNA)
where:
Base-Base interactions energy: -124.085
where: short stacking energy: -54.374
Base-Backbone interact. energy: -1.208
local terms energy: -79.261876
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -5.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 22
Temperature: 1.666667
Total energy: -81.509050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.509050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.509050 (E_RNA)
where:
Base-Base interactions energy: -17.905
where: short stacking energy: -16.558
Base-Backbone interact. energy: -0.175
local terms energy: -63.428627
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -25.384
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: 5.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 22
Temperature: 2.050000
Total energy: -75.425432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.425432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.425432 (E_RNA)
where:
Base-Base interactions energy: -16.830
where: short stacking energy: -15.832
Base-Backbone interact. energy: -0.508
local terms energy: -58.087522
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -23.965
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: 6.215
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: 6
=====================================
Write number: 22
Temperature: 2.433333
Total energy: -47.506862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.506862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.506862 (E_RNA)
where:
Base-Base interactions energy: -7.270
where: short stacking energy: -5.342
Base-Backbone interact. energy: 1.584
local terms energy: -41.821004
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -7.910
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: 10.640
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: 6, replica: 4
=====================================
Write number: 22
Temperature: 2.816667
Total energy: -29.265201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.265201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.265201 (E_RNA)
where:
Base-Base interactions energy: -5.797
where: short stacking energy: -3.002
Base-Backbone interact. energy: -0.238
local terms energy: -23.229569
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -9.650
flat angles C4'-P-C4' energy: -0.485
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: 14.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 22
Temperature: 3.200000
Total energy: -24.238218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.238218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.238218 (E_RNA)
where:
Base-Base interactions energy: -10.105
where: short stacking energy: -5.922
Base-Backbone interact. energy: 5.722
local terms energy: -19.855364
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: 4.879
tors. eta vs tors. theta energy: 14.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 3.583333
Total energy: -19.871209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.871209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.871209 (E_RNA)
where:
Base-Base interactions energy: -5.664
where: short stacking energy: -3.587
Base-Backbone interact. energy: -0.234
local terms energy: -13.972366
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -18.480
flat angles C4'-P-C4' energy: -0.879
flat angles P-C4'-P energy: -1.153
tors. eta vs tors. theta energy: 15.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 22
Temperature: 3.966667
Total energy: -22.508498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.508498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.508498 (E_RNA)
where:
Base-Base interactions energy: -4.322
where: short stacking energy: -4.322
Base-Backbone interact. energy: 3.732
local terms energy: -21.918676
where:
bonds (distance) C4'-P energy: -8.571
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -3.312
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: 11.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 4.350000
Total energy: -3.853186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.853186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.853186 (E_RNA)
where:
Base-Base interactions energy: -0.285
where: short stacking energy: -3.085
Base-Backbone interact. energy: 2.146
local terms energy: -5.713936
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: 6.896
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: 22.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -348.301155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.301155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.301155 (E_RNA)
where:
Base-Base interactions energy: -230.672
where: short stacking energy: -114.630
Base-Backbone interact. energy: -0.626
local terms energy: -117.002259
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -32.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 1.283333
Total energy: -200.487870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.487870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.487870 (E_RNA)
where:
Base-Base interactions energy: -119.406
where: short stacking energy: -54.373
Base-Backbone interact. energy: 1.087
local terms energy: -82.168973
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -22.565
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -14.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.666667
Total energy: -98.521042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.521042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.521042 (E_RNA)
where:
Base-Base interactions energy: -37.048
where: short stacking energy: -37.048
Base-Backbone interact. energy: -0.774
local terms energy: -60.698888
where:
bonds (distance) C4'-P energy: -6.830
bonds (distance) P-C4' energy: -24.223
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -0.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 23
Temperature: 2.050000
Total energy: -71.870748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.870748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.870748 (E_RNA)
where:
Base-Base interactions energy: -18.815
where: short stacking energy: -18.641
Base-Backbone interact. energy: -0.371
local terms energy: -52.684697
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -25.221
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: 10.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 23
Temperature: 2.433333
Total energy: -56.655673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.655673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.655673 (E_RNA)
where:
Base-Base interactions energy: -1.745
where: short stacking energy: -1.745
Base-Backbone interact. energy: -0.349
local terms energy: -54.562252
where:
bonds (distance) C4'-P energy: -19.889
bonds (distance) P-C4' energy: -22.543
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: 15.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 23
Temperature: 2.816667
Total energy: -34.572482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.572482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.572482 (E_RNA)
where:
Base-Base interactions energy: -12.147
where: short stacking energy: -10.091
Base-Backbone interact. energy: 2.794
local terms energy: -25.219334
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -5.948
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: 14.747
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: 9
=====================================
Write number: 23
Temperature: 3.200000
Total energy: -31.409969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.409969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.409969 (E_RNA)
where:
Base-Base interactions energy: -4.639
where: short stacking energy: -2.318
Base-Backbone interact. energy: -0.722
local terms energy: -26.049726
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -0.505
flat angles P-C4'-P energy: -1.461
tors. eta vs tors. theta energy: 13.007
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: 10
=====================================
Write number: 23
Temperature: 3.583333
Total energy: -9.320196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.320196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.320196 (E_RNA)
where:
Base-Base interactions energy: -1.821
where: short stacking energy: -0.408
Base-Backbone interact. energy: -1.116
local terms energy: -6.383180
where:
bonds (distance) C4'-P energy: -7.377
bonds (distance) P-C4' energy: -3.115
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: 4.807
tors. eta vs tors. theta energy: 14.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 23
Temperature: 3.966667
Total energy: -10.146560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.146560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.146560 (E_RNA)
where:
Base-Base interactions energy: -12.709
where: short stacking energy: -8.858
Base-Backbone interact. energy: 9.322
local terms energy: -6.760176
where:
bonds (distance) C4'-P energy: -6.842
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: 6.452
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: 13.734
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: 8
=====================================
Write number: 23
Temperature: 4.350000
Total energy: -3.899820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.899820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.899820 (E_RNA)
where:
Base-Base interactions energy: -3.756
where: short stacking energy: -3.756
Base-Backbone interact. energy: -0.281
local terms energy: 0.137105
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -4.561
flat angles C4'-P-C4' energy: -1.962
flat angles P-C4'-P energy: 7.604
tors. eta vs tors. theta energy: 11.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -349.402105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.402105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.402105 (E_RNA)
where:
Base-Base interactions energy: -229.534
where: short stacking energy: -118.389
Base-Backbone interact. energy: -0.014
local terms energy: -119.854097
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -26.647
flat angles P-C4'-P energy: -19.031
tors. eta vs tors. theta energy: -33.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 1.283333
Total energy: -185.740079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.740079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.740079 (E_RNA)
where:
Base-Base interactions energy: -97.371
where: short stacking energy: -54.355
Base-Backbone interact. energy: 0.033
local terms energy: -88.402504
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -20.134
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -9.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 24
Temperature: 1.666667
Total energy: -83.238237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.238237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.238237 (E_RNA)
where:
Base-Base interactions energy: -29.477
where: short stacking energy: -22.544
Base-Backbone interact. energy: 1.454
local terms energy: -55.215467
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -21.936
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: 6.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 24
Temperature: 2.050000
Total energy: -67.091183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.091183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.091183 (E_RNA)
where:
Base-Base interactions energy: -19.798
where: short stacking energy: -19.480
Base-Backbone interact. energy: 1.322
local terms energy: -48.615592
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: 5.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 24
Temperature: 2.433333
Total energy: -56.659708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.659708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.659708 (E_RNA)
where:
Base-Base interactions energy: -9.894
where: short stacking energy: -5.703
Base-Backbone interact. energy: 0.840
local terms energy: -47.605611
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: 12.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 24
Temperature: 2.816667
Total energy: -37.118413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.118413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.118413 (E_RNA)
where:
Base-Base interactions energy: 2.702
where: short stacking energy: 1.102
Base-Backbone interact. energy: 0.886
local terms energy: -40.706983
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -20.635
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: 11.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 3.200000
Total energy: -26.690198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.690198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.690198 (E_RNA)
where:
Base-Base interactions energy: -4.081
where: short stacking energy: -2.885
Base-Backbone interact. energy: 1.700
local terms energy: -24.309311
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -8.515
flat angles P-C4'-P energy: 1.793
tors. eta vs tors. theta energy: 20.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 24
Temperature: 3.583333
Total energy: -12.634933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.634933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.634933 (E_RNA)
where:
Base-Base interactions energy: -4.740
where: short stacking energy: -2.780
Base-Backbone interact. energy: 3.449
local terms energy: -11.343951
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: 7.489
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: 18.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 3.966667
Total energy: -7.811787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.811787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.811787 (E_RNA)
where:
Base-Base interactions energy: -2.775
where: short stacking energy: -0.190
Base-Backbone interact. energy: -0.344
local terms energy: -4.692902
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -2.981
flat angles C4'-P-C4' energy: -2.856
flat angles P-C4'-P energy: 0.669
tors. eta vs tors. theta energy: 14.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 24
Temperature: 4.350000
Total energy: 0.977953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.977953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.977953 (E_RNA)
where:
Base-Base interactions energy: 1.015
where: short stacking energy: 1.306
Base-Backbone interact. energy: 6.035
local terms energy: -6.071717
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: 8.538
flat angles P-C4'-P energy: -0.688
tors. eta vs tors. theta energy: 16.629
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: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -366.662341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.662341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.662341 (E_RNA)
where:
Base-Base interactions energy: -239.889
where: short stacking energy: -123.227
Base-Backbone interact. energy: -0.018
local terms energy: -126.755792
where:
bonds (distance) C4'-P energy: -26.264
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -25.322
flat angles P-C4'-P energy: -17.902
tors. eta vs tors. theta energy: -35.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 25
Temperature: 1.283333
Total energy: -201.360471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.360471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.360471 (E_RNA)
where:
Base-Base interactions energy: -117.722
where: short stacking energy: -69.972
Base-Backbone interact. energy: -0.348
local terms energy: -83.290524
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -23.590
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -11.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 25
Temperature: 1.666667
Total energy: -93.347954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.347954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.347954 (E_RNA)
where:
Base-Base interactions energy: -35.457
where: short stacking energy: -31.906
Base-Backbone interact. energy: -0.371
local terms energy: -57.519599
where:
bonds (distance) C4'-P energy: -8.788
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: 0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 25
Temperature: 2.050000
Total energy: -64.729975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.729975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.729975 (E_RNA)
where:
Base-Base interactions energy: -28.345
where: short stacking energy: -14.967
Base-Backbone interact. energy: 3.892
local terms energy: -40.277357
where:
bonds (distance) C4'-P energy: -7.006
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: 10.834
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: 25
Temperature: 2.433333
Total energy: -49.524669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.524669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.524669 (E_RNA)
where:
Base-Base interactions energy: -11.406
where: short stacking energy: -10.675
Base-Backbone interact. energy: 3.714
local terms energy: -41.831763
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -21.486
flat angles P-C4'-P energy: -2.127
tors. eta vs tors. theta energy: 13.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 25
Temperature: 2.816667
Total energy: -31.557775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.557775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.557775 (E_RNA)
where:
Base-Base interactions energy: -12.610
where: short stacking energy: -9.279
Base-Backbone interact. energy: -1.109
local terms energy: -17.838468
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -1.120
tors. eta vs tors. theta energy: 18.804
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: 7, replica: 9
=====================================
Write number: 25
Temperature: 3.200000
Total energy: -19.917367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.917367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.917367 (E_RNA)
where:
Base-Base interactions energy: -13.308
where: short stacking energy: -10.896
Base-Backbone interact. energy: 0.518
local terms energy: -7.126846
where:
bonds (distance) C4'-P energy: -6.205
bonds (distance) P-C4' energy: -4.932
flat angles C4'-P-C4' energy: -0.430
flat angles P-C4'-P energy: -1.332
tors. eta vs tors. theta energy: 5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 25
Temperature: 3.583333
Total energy: -24.889605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.889605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.889605 (E_RNA)
where:
Base-Base interactions energy: -6.672
where: short stacking energy: -3.637
Base-Backbone interact. energy: 2.158
local terms energy: -20.375486
where:
bonds (distance) C4'-P energy: -5.966
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -3.866
flat angles P-C4'-P energy: -1.303
tors. eta vs tors. theta energy: 10.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 3.966667
Total energy: -13.035174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.035174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.035174 (E_RNA)
where:
Base-Base interactions energy: -11.046
where: short stacking energy: -9.040
Base-Backbone interact. energy: 4.784
local terms energy: -6.773294
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -11.230
flat angles C4'-P-C4' energy: -3.737
flat angles P-C4'-P energy: 13.310
tors. eta vs tors. theta energy: 10.572
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: 7
=====================================
Write number: 25
Temperature: 4.350000
Total energy: -3.804616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.804616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.804616 (E_RNA)
where:
Base-Base interactions energy: -5.503
where: short stacking energy: -2.996
Base-Backbone interact. energy: 4.995
local terms energy: -3.295676
where:
bonds (distance) C4'-P energy: -8.047
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: 4.562
flat angles P-C4'-P energy: -1.602
tors. eta vs tors. theta energy: 18.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -371.495996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.495996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.495996 (E_RNA)
where:
Base-Base interactions energy: -240.120
where: short stacking energy: -120.768
Base-Backbone interact. energy: -0.003
local terms energy: -131.372822
where:
bonds (distance) C4'-P energy: -23.377
bonds (distance) P-C4' energy: -24.157
flat angles C4'-P-C4' energy: -29.074
flat angles P-C4'-P energy: -18.883
tors. eta vs tors. theta energy: -35.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 26
Temperature: 1.283333
Total energy: -208.767492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.767492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.767492 (E_RNA)
where:
Base-Base interactions energy: -130.906
where: short stacking energy: -68.364
Base-Backbone interact. energy: -0.693
local terms energy: -77.167700
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -17.332
flat angles C4'-P-C4' energy: -23.169
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -13.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 26
Temperature: 1.666667
Total energy: -76.984264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.984264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.984264 (E_RNA)
where:
Base-Base interactions energy: -13.845
where: short stacking energy: -13.232
Base-Backbone interact. energy: 2.801
local terms energy: -65.940399
where:
bonds (distance) C4'-P energy: -21.969
bonds (distance) P-C4' energy: -24.073
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: 5.661
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: 4
=====================================
Write number: 26
Temperature: 2.050000
Total energy: -71.268219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.268219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.268219 (E_RNA)
where:
Base-Base interactions energy: -25.084
where: short stacking energy: -24.138
Base-Backbone interact. energy: -0.246
local terms energy: -45.939001
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -9.125
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: 10.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 26
Temperature: 2.433333
Total energy: -49.330189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.330189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.330189 (E_RNA)
where:
Base-Base interactions energy: -20.361
where: short stacking energy: -9.309
Base-Backbone interact. energy: -0.130
local terms energy: -28.839088
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -20.349
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: 1.920
tors. eta vs tors. theta energy: 15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 26
Temperature: 2.816667
Total energy: -34.450540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.450540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.450540 (E_RNA)
where:
Base-Base interactions energy: -11.293
where: short stacking energy: -5.070
Base-Backbone interact. energy: 2.230
local terms energy: -25.387126
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -2.331
flat angles P-C4'-P energy: 2.480
tors. eta vs tors. theta energy: 8.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 26
Temperature: 3.200000
Total energy: -29.148145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.148145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.148145 (E_RNA)
where:
Base-Base interactions energy: -1.330
where: short stacking energy: -1.304
Base-Backbone interact. energy: 3.030
local terms energy: -30.847639
where:
bonds (distance) C4'-P energy: -19.053
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -0.432
tors. eta vs tors. theta energy: 13.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 3.583333
Total energy: -15.018528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.018528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.018528 (E_RNA)
where:
Base-Base interactions energy: -12.394
where: short stacking energy: -12.323
Base-Backbone interact. energy: 6.239
local terms energy: -8.863842
where:
bonds (distance) C4'-P energy: -8.660
bonds (distance) P-C4' energy: -9.915
flat angles C4'-P-C4' energy: -8.797
flat angles P-C4'-P energy: 1.138
tors. eta vs tors. theta energy: 17.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 26
Temperature: 3.966667
Total energy: -9.376606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.376606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.376606 (E_RNA)
where:
Base-Base interactions energy: -1.840
where: short stacking energy: -1.840
Base-Backbone interact. energy: -0.673
local terms energy: -6.863787
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -1.867
flat angles P-C4'-P energy: 3.547
tors. eta vs tors. theta energy: 16.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 26
Temperature: 4.350000
Total energy: -5.007392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.007392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.007392 (E_RNA)
where:
Base-Base interactions energy: -2.288
where: short stacking energy: -1.541
Base-Backbone interact. energy: 0.519
local terms energy: -3.237735
where:
bonds (distance) C4'-P energy: -6.812
bonds (distance) P-C4' energy: -18.480
flat angles C4'-P-C4' energy: -4.440
flat angles P-C4'-P energy: 11.582
tors. eta vs tors. theta energy: 14.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -362.626335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.626335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.626335 (E_RNA)
where:
Base-Base interactions energy: -228.583
where: short stacking energy: -123.968
Base-Backbone interact. energy: -0.189
local terms energy: -133.854049
where:
bonds (distance) C4'-P energy: -21.896
bonds (distance) P-C4' energy: -27.376
flat angles C4'-P-C4' energy: -27.394
flat angles P-C4'-P energy: -17.997
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: 2, replica: 2
=====================================
Write number: 27
Temperature: 1.283333
Total energy: -194.546222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.546222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.546222 (E_RNA)
where:
Base-Base interactions energy: -106.622
where: short stacking energy: -54.261
Base-Backbone interact. energy: -0.728
local terms energy: -87.196813
where:
bonds (distance) C4'-P energy: -23.507
bonds (distance) P-C4' energy: -23.702
flat angles C4'-P-C4' energy: -20.958
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -8.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 27
Temperature: 1.666667
Total energy: -99.564005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.564005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.564005 (E_RNA)
where:
Base-Base interactions energy: -43.790
where: short stacking energy: -42.649
Base-Backbone interact. energy: 0.172
local terms energy: -55.946186
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -5.505
tors. eta vs tors. theta energy: 0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 27
Temperature: 2.050000
Total energy: -64.696283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.696283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.696283 (E_RNA)
where:
Base-Base interactions energy: -22.973
where: short stacking energy: -16.738
Base-Backbone interact. energy: 0.057
local terms energy: -41.780502
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -22.836
flat angles C4'-P-C4' energy: -6.939
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: 10.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 27
Temperature: 2.433333
Total energy: -47.866957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.866957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.866957 (E_RNA)
where:
Base-Base interactions energy: -6.074
where: short stacking energy: -3.905
Base-Backbone interact. energy: -0.172
local terms energy: -41.620371
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -3.403
tors. eta vs tors. theta energy: 11.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 27
Temperature: 2.816667
Total energy: -45.986057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.986057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.986057 (E_RNA)
where:
Base-Base interactions energy: -7.679
where: short stacking energy: -7.679
Base-Backbone interact. energy: -0.330
local terms energy: -37.977104
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: 12.188
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: 27
Temperature: 3.200000
Total energy: -30.957684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.957684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.957684 (E_RNA)
where:
Base-Base interactions energy: -8.266
where: short stacking energy: -9.335
Base-Backbone interact. energy: -0.634
local terms energy: -22.057584
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -0.203
tors. eta vs tors. theta energy: 12.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 3.583333
Total energy: -27.680967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.680967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.680967 (E_RNA)
where:
Base-Base interactions energy: -10.424
where: short stacking energy: -10.524
Base-Backbone interact. energy: 3.094
local terms energy: -20.351004
where:
bonds (distance) C4'-P energy: -1.138
bonds (distance) P-C4' energy: -10.167
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: 10.728
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: 9, replica: 8
=====================================
Write number: 27
Temperature: 3.966667
Total energy: -10.474992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.474992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.474992 (E_RNA)
where:
Base-Base interactions energy: -3.770
where: short stacking energy: -0.772
Base-Backbone interact. energy: 2.853
local terms energy: -9.558037
where:
bonds (distance) C4'-P energy: -1.817
bonds (distance) P-C4' energy: -22.396
flat angles C4'-P-C4' energy: -5.336
flat angles P-C4'-P energy: 3.580
tors. eta vs tors. theta energy: 16.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 4.350000
Total energy: -2.948484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.948484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.948484 (E_RNA)
where:
Base-Base interactions energy: -1.317
where: short stacking energy: -1.317
Base-Backbone interact. energy: 2.900
local terms energy: -4.531421
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -0.671
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: 1.321
tors. eta vs tors. theta energy: 19.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -359.569239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.569239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.569239 (E_RNA)
where:
Base-Base interactions energy: -235.421
where: short stacking energy: -118.094
Base-Backbone interact. energy: 0.627
local terms energy: -124.775158
where:
bonds (distance) C4'-P energy: -25.024
bonds (distance) P-C4' energy: -23.372
flat angles C4'-P-C4' energy: -27.382
flat angles P-C4'-P energy: -18.352
tors. eta vs tors. theta energy: -30.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 28
Temperature: 1.283333
Total energy: -187.853925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.853925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.853925 (E_RNA)
where:
Base-Base interactions energy: -102.633
where: short stacking energy: -59.308
Base-Backbone interact. energy: -0.982
local terms energy: -84.238449
where:
bonds (distance) C4'-P energy: -23.095
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -21.270
flat angles P-C4'-P energy: -17.762
tors. eta vs tors. theta energy: -5.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 28
Temperature: 1.666667
Total energy: -88.425824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.425824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.425824 (E_RNA)
where:
Base-Base interactions energy: -27.220
where: short stacking energy: -24.969
Base-Backbone interact. energy: 2.528
local terms energy: -63.734430
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 28
Temperature: 2.050000
Total energy: -68.476550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.476550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.476550 (E_RNA)
where:
Base-Base interactions energy: -22.368
where: short stacking energy: -19.598
Base-Backbone interact. energy: -1.530
local terms energy: -44.579104
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -2.450
tors. eta vs tors. theta energy: 8.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 28
Temperature: 2.433333
Total energy: -42.929490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.929490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.929490 (E_RNA)
where:
Base-Base interactions energy: -22.714
where: short stacking energy: -11.142
Base-Backbone interact. energy: -1.027
local terms energy: -19.188521
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -2.505
flat angles C4'-P-C4' energy: 1.596
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: 8.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 28
Temperature: 2.816667
Total energy: -34.252162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.252162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.252162 (E_RNA)
where:
Base-Base interactions energy: -17.523
where: short stacking energy: -14.266
Base-Backbone interact. energy: 3.848
local terms energy: -20.577954
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -10.012
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: 4.547
tors. eta vs tors. theta energy: 10.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 3.200000
Total energy: -28.455235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.455235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.455235 (E_RNA)
where:
Base-Base interactions energy: -4.663
where: short stacking energy: -4.663
Base-Backbone interact. energy: 3.674
local terms energy: -27.466311
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: 4.236
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: 10.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 28
Temperature: 3.583333
Total energy: -24.834518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.834518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.834518 (E_RNA)
where:
Base-Base interactions energy: -9.021
where: short stacking energy: -2.316
Base-Backbone interact. energy: 5.088
local terms energy: -20.902034
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -3.790
flat angles P-C4'-P energy: -4.533
tors. eta vs tors. theta energy: 18.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 3.966667
Total energy: -8.317638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.317638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.317638 (E_RNA)
where:
Base-Base interactions energy: -6.254
where: short stacking energy: -3.715
Base-Backbone interact. energy: 0.516
local terms energy: -2.579963
where:
bonds (distance) C4'-P energy: -4.397
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -0.940
flat angles P-C4'-P energy: -1.456
tors. eta vs tors. theta energy: 18.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 4.350000
Total energy: -0.917941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.917941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.917941 (E_RNA)
where:
Base-Base interactions energy: -2.502
where: short stacking energy: 1.134
Base-Backbone interact. energy: 1.672
local terms energy: -0.088223
where:
bonds (distance) C4'-P energy: -8.047
bonds (distance) P-C4' energy: -8.142
flat angles C4'-P-C4' energy: -0.848
flat angles P-C4'-P energy: 4.156
tors. eta vs tors. theta energy: 12.793
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: 1, replica: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -358.686894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.686894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.686894 (E_RNA)
where:
Base-Base interactions energy: -235.602
where: short stacking energy: -115.020
Base-Backbone interact. energy: -1.781
local terms energy: -121.304149
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -25.982
flat angles C4'-P-C4' energy: -25.900
flat angles P-C4'-P energy: -16.115
tors. eta vs tors. theta energy: -28.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 29
Temperature: 1.283333
Total energy: -184.983106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.983106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.983106 (E_RNA)
where:
Base-Base interactions energy: -106.192
where: short stacking energy: -56.744
Base-Backbone interact. energy: -0.461
local terms energy: -78.330368
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -22.871
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -6.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 29
Temperature: 1.666667
Total energy: -91.267502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.267502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.267502 (E_RNA)
where:
Base-Base interactions energy: -26.144
where: short stacking energy: -20.098
Base-Backbone interact. energy: 0.621
local terms energy: -65.744808
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -20.947
flat angles C4'-P-C4' energy: -25.658
flat angles P-C4'-P energy: -5.508
tors. eta vs tors. theta energy: 4.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 29
Temperature: 2.050000
Total energy: -66.354717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.354717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.354717 (E_RNA)
where:
Base-Base interactions energy: -20.168
where: short stacking energy: -18.226
Base-Backbone interact. energy: 0.581
local terms energy: -46.767869
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -0.131
tors. eta vs tors. theta energy: 7.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 29
Temperature: 2.433333
Total energy: -45.338299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.338299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.338299 (E_RNA)
where:
Base-Base interactions energy: -4.703
where: short stacking energy: -2.677
Base-Backbone interact. energy: -0.356
local terms energy: -40.279320
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -8.828
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: 7.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 29
Temperature: 2.816667
Total energy: -38.155573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.155573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.155573 (E_RNA)
where:
Base-Base interactions energy: -3.726
where: short stacking energy: -3.040
Base-Backbone interact. energy: 5.846
local terms energy: -40.275337
where:
bonds (distance) C4'-P energy: -24.785
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -2.968
tors. eta vs tors. theta energy: 17.132
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: 29
Temperature: 3.200000
Total energy: -22.401377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.401377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.401377 (E_RNA)
where:
Base-Base interactions energy: -13.233
where: short stacking energy: -12.657
Base-Backbone interact. energy: 1.731
local terms energy: -10.900046
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: 7.425
flat angles P-C4'-P energy: 1.297
tors. eta vs tors. theta energy: 12.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 3.583333
Total energy: -21.136267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.136267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.136267 (E_RNA)
where:
Base-Base interactions energy: 4.301
where: short stacking energy: 4.301
Base-Backbone interact. energy: 1.905
local terms energy: -27.341801
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -4.915
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: 16.595
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: 3
=====================================
Write number: 29
Temperature: 3.966667
Total energy: -12.375840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.375840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.375840 (E_RNA)
where:
Base-Base interactions energy: -9.601
where: short stacking energy: -9.174
Base-Backbone interact. energy: -0.294
local terms energy: -2.480505
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -3.936
flat angles C4'-P-C4' energy: 4.499
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: 12.418
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: 8
=====================================
Write number: 29
Temperature: 4.350000
Total energy: 6.773519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 6.773519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 6.773519 (E_RNA)
where:
Base-Base interactions energy: -7.485
where: short stacking energy: -2.037
Base-Backbone interact. energy: -0.771
local terms energy: 15.029563
where:
bonds (distance) C4'-P energy: -6.486
bonds (distance) P-C4' energy: -3.906
flat angles C4'-P-C4' energy: 8.873
flat angles P-C4'-P energy: 3.012
tors. eta vs tors. theta energy: 13.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -356.207730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.207730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.207730 (E_RNA)
where:
Base-Base interactions energy: -227.705
where: short stacking energy: -121.295
Base-Backbone interact. energy: -0.790
local terms energy: -127.712807
where:
bonds (distance) C4'-P energy: -26.980
bonds (distance) P-C4' energy: -26.859
flat angles C4'-P-C4' energy: -25.122
flat angles P-C4'-P energy: -18.182
tors. eta vs tors. theta energy: -30.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 30
Temperature: 1.283333
Total energy: -209.324834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.324834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.324834 (E_RNA)
where:
Base-Base interactions energy: -109.105
where: short stacking energy: -57.986
Base-Backbone interact. energy: -0.694
local terms energy: -99.525313
where:
bonds (distance) C4'-P energy: -27.356
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -19.617
tors. eta vs tors. theta energy: -17.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.666667
Total energy: -88.813949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.813949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.813949 (E_RNA)
where:
Base-Base interactions energy: -35.553
where: short stacking energy: -34.362
Base-Backbone interact. energy: -0.276
local terms energy: -52.985120
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -20.798
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: 2.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 30
Temperature: 2.050000
Total energy: -69.830162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.830162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.830162 (E_RNA)
where:
Base-Base interactions energy: -17.449
where: short stacking energy: -16.178
Base-Backbone interact. energy: -0.419
local terms energy: -51.961977
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: 2.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 30
Temperature: 2.433333
Total energy: -47.253866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.253866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.253866 (E_RNA)
where:
Base-Base interactions energy: -12.760
where: short stacking energy: -11.629
Base-Backbone interact. energy: 0.541
local terms energy: -35.034558
where:
bonds (distance) C4'-P energy: -21.639
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -6.490
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: 19.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 30
Temperature: 2.816667
Total energy: -34.221047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.221047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.221047 (E_RNA)
where:
Base-Base interactions energy: -8.063
where: short stacking energy: -6.721
Base-Backbone interact. energy: 3.593
local terms energy: -29.751305
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -5.735
flat angles P-C4'-P energy: -2.697
tors. eta vs tors. theta energy: 12.318
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: 7, replica: 4
=====================================
Write number: 30
Temperature: 3.200000
Total energy: -19.339942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.339942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.339942 (E_RNA)
where:
Base-Base interactions energy: -4.704
where: short stacking energy: -1.602
Base-Backbone interact. energy: 0.452
local terms energy: -15.087504
where:
bonds (distance) C4'-P energy: -9.729
bonds (distance) P-C4' energy: -24.038
flat angles C4'-P-C4' energy: -0.228
flat angles P-C4'-P energy: 5.181
tors. eta vs tors. theta energy: 13.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 3.583333
Total energy: -19.306270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.306270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.306270 (E_RNA)
where:
Base-Base interactions energy: -10.386
where: short stacking energy: -3.254
Base-Backbone interact. energy: -0.501
local terms energy: -8.418677
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -10.065
flat angles C4'-P-C4' energy: -5.062
flat angles P-C4'-P energy: 5.726
tors. eta vs tors. theta energy: 14.913
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: 30
Temperature: 3.966667
Total energy: -9.997130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.997130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.997130 (E_RNA)
where:
Base-Base interactions energy: -5.514
where: short stacking energy: -6.227
Base-Backbone interact. energy: -1.053
local terms energy: -3.430022
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: 6.979
flat angles P-C4'-P energy: 6.428
tors. eta vs tors. theta energy: 10.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 30
Temperature: 4.350000
Total energy: -1.492192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.492192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.492192 (E_RNA)
where:
Base-Base interactions energy: -2.833
where: short stacking energy: -2.833
Base-Backbone interact. energy: -0.160
local terms energy: 1.500969
where:
bonds (distance) C4'-P energy: -4.284
bonds (distance) P-C4' energy: -11.632
flat angles C4'-P-C4' energy: -7.286
flat angles P-C4'-P energy: 7.659
tors. eta vs tors. theta energy: 17.045
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: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -370.533240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.533240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.533240 (E_RNA)
where:
Base-Base interactions energy: -243.575
where: short stacking energy: -124.918
Base-Backbone interact. energy: -2.326
local terms energy: -124.631644
where:
bonds (distance) C4'-P energy: -21.335
bonds (distance) P-C4' energy: -24.316
flat angles C4'-P-C4' energy: -27.387
flat angles P-C4'-P energy: -19.345
tors. eta vs tors. theta energy: -32.248
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: 2, replica: 2
=====================================
Write number: 31
Temperature: 1.283333
Total energy: -179.561983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.561983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.561983 (E_RNA)
where:
Base-Base interactions energy: -97.146
where: short stacking energy: -51.747
Base-Backbone interact. energy: -0.272
local terms energy: -82.144102
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -8.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.666667
Total energy: -93.648263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.648263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.648263 (E_RNA)
where:
Base-Base interactions energy: -29.981
where: short stacking energy: -29.826
Base-Backbone interact. energy: -0.323
local terms energy: -63.344064
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: 8.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 31
Temperature: 2.050000
Total energy: -59.450939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.450939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.450939 (E_RNA)
where:
Base-Base interactions energy: -23.844
where: short stacking energy: -21.661
Base-Backbone interact. energy: -0.218
local terms energy: -35.388640
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -18.618
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: 2.804
tors. eta vs tors. theta energy: 7.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 31
Temperature: 2.433333
Total energy: -40.404139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.404139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.404139 (E_RNA)
where:
Base-Base interactions energy: -6.159
where: short stacking energy: -5.108
Base-Backbone interact. energy: -0.839
local terms energy: -33.406449
where:
bonds (distance) C4'-P energy: -4.865
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -8.400
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: 11.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 31
Temperature: 2.816667
Total energy: -31.220924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.220924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.220924 (E_RNA)
where:
Base-Base interactions energy: -1.362
where: short stacking energy: -1.959
Base-Backbone interact. energy: 2.732
local terms energy: -32.590901
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: 1.241
tors. eta vs tors. theta energy: 14.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 31
Temperature: 3.200000
Total energy: -31.248151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.248151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.248151 (E_RNA)
where:
Base-Base interactions energy: -3.962
where: short stacking energy: -1.773
Base-Backbone interact. energy: 3.606
local terms energy: -30.891980
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -26.491
flat angles C4'-P-C4' energy: -4.729
flat angles P-C4'-P energy: -4.070
tors. eta vs tors. theta energy: 19.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 31
Temperature: 3.583333
Total energy: -21.057287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.057287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.057287 (E_RNA)
where:
Base-Base interactions energy: -10.558
where: short stacking energy: -8.562
Base-Backbone interact. energy: -0.412
local terms energy: -10.087688
where:
bonds (distance) C4'-P energy: -8.949
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: 6.257
tors. eta vs tors. theta energy: 14.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 31
Temperature: 3.966667
Total energy: -9.603947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.603947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.603947 (E_RNA)
where:
Base-Base interactions energy: 1.073
where: short stacking energy: 2.830
Base-Backbone interact. energy: -0.485
local terms energy: -10.192073
where:
bonds (distance) C4'-P energy: -6.567
bonds (distance) P-C4' energy: -8.917
flat angles C4'-P-C4' energy: -5.809
flat angles P-C4'-P energy: -4.935
tors. eta vs tors. theta energy: 16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 31
Temperature: 4.350000
Total energy: -13.215031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.215031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.215031 (E_RNA)
where:
Base-Base interactions energy: -1.594
where: short stacking energy: -1.594
Base-Backbone interact. energy: -0.428
local terms energy: -11.192576
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -5.594
flat angles P-C4'-P energy: 8.082
tors. eta vs tors. theta energy: 22.642
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: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -380.663448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.663448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.663448 (E_RNA)
where:
Base-Base interactions energy: -250.292
where: short stacking energy: -128.745
Base-Backbone interact. energy: -0.669
local terms energy: -129.703038
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -28.122
flat angles P-C4'-P energy: -21.177
tors. eta vs tors. theta energy: -35.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 32
Temperature: 1.283333
Total energy: -192.732656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.732656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.732656 (E_RNA)
where:
Base-Base interactions energy: -111.443
where: short stacking energy: -65.760
Base-Backbone interact. energy: -0.296
local terms energy: -80.993521
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -20.923
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -12.116
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: 5
=====================================
Write number: 32
Temperature: 1.666667
Total energy: -85.986549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.986549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.986549 (E_RNA)
where:
Base-Base interactions energy: -28.696
where: short stacking energy: -27.675
Base-Backbone interact. energy: 1.236
local terms energy: -58.527075
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -23.683
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: 8.685
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: 9
=====================================
Write number: 32
Temperature: 2.050000
Total energy: -57.315176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.315176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.315176 (E_RNA)
where:
Base-Base interactions energy: -13.239
where: short stacking energy: -11.638
Base-Backbone interact. energy: -0.530
local terms energy: -43.546689
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -10.395
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: 13.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 32
Temperature: 2.433333
Total energy: -43.579587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.579587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.579587 (E_RNA)
where:
Base-Base interactions energy: -4.376
where: short stacking energy: -5.376
Base-Backbone interact. energy: 0.922
local terms energy: -40.125449
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -7.565
flat angles P-C4'-P energy: -5.072
tors. eta vs tors. theta energy: 9.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 32
Temperature: 2.816667
Total energy: -37.157162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.157162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.157162 (E_RNA)
where:
Base-Base interactions energy: -16.517
where: short stacking energy: -8.338
Base-Backbone interact. energy: 0.411
local terms energy: -21.050445
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: 6.101
tors. eta vs tors. theta energy: 11.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 32
Temperature: 3.200000
Total energy: -27.335394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.335394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.335394 (E_RNA)
where:
Base-Base interactions energy: -9.876
where: short stacking energy: -9.317
Base-Backbone interact. energy: 5.629
local terms energy: -23.088732
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: 4.505
tors. eta vs tors. theta energy: 15.075
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: 4
=====================================
Write number: 32
Temperature: 3.583333
Total energy: -31.324322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.324322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.324322 (E_RNA)
where:
Base-Base interactions energy: -16.265
where: short stacking energy: -13.116
Base-Backbone interact. energy: 1.435
local terms energy: -16.494221
where:
bonds (distance) C4'-P energy: -5.649
bonds (distance) P-C4' energy: -9.273
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -1.688
tors. eta vs tors. theta energy: 11.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 32
Temperature: 3.966667
Total energy: -9.510362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.510362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.510362 (E_RNA)
where:
Base-Base interactions energy: -0.851
where: short stacking energy: 0.249
Base-Backbone interact. energy: -0.370
local terms energy: -8.289101
where:
bonds (distance) C4'-P energy: -8.396
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -1.243
flat angles P-C4'-P energy: -2.214
tors. eta vs tors. theta energy: 15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 32
Temperature: 4.350000
Total energy: -1.513144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.513144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.513144 (E_RNA)
where:
Base-Base interactions energy: -15.712
where: short stacking energy: -4.904
Base-Backbone interact. energy: -0.817
local terms energy: 15.016252
where:
bonds (distance) C4'-P energy: -9.139
bonds (distance) P-C4' energy: -22.304
flat angles C4'-P-C4' energy: 20.123
flat angles P-C4'-P energy: 5.684
tors. eta vs tors. theta energy: 20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -370.795851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.795851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.795851 (E_RNA)
where:
Base-Base interactions energy: -246.656
where: short stacking energy: -109.397
Base-Backbone interact. energy: -0.994
local terms energy: -123.146003
where:
bonds (distance) C4'-P energy: -22.878
bonds (distance) P-C4' energy: -27.364
flat angles C4'-P-C4' energy: -21.550
flat angles P-C4'-P energy: -20.641
tors. eta vs tors. theta energy: -30.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 1.283333
Total energy: -184.724170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.724170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.724170 (E_RNA)
where:
Base-Base interactions energy: -101.142
where: short stacking energy: -51.141
Base-Backbone interact. energy: 1.633
local terms energy: -85.215326
where:
bonds (distance) C4'-P energy: -21.476
bonds (distance) P-C4' energy: -23.735
flat angles C4'-P-C4' energy: -25.597
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.666667
Total energy: -82.270338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.270338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.270338 (E_RNA)
where:
Base-Base interactions energy: -38.135
where: short stacking energy: -33.535
Base-Backbone interact. energy: -0.164
local terms energy: -43.971539
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: 6.839
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: 9
=====================================
Write number: 33
Temperature: 2.050000
Total energy: -54.785252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.785252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.785252 (E_RNA)
where:
Base-Base interactions energy: -10.018
where: short stacking energy: -10.018
Base-Backbone interact. energy: 1.166
local terms energy: -45.933483
where:
bonds (distance) C4'-P energy: -22.119
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: 12.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 33
Temperature: 2.433333
Total energy: -48.857354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.857354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.857354 (E_RNA)
where:
Base-Base interactions energy: -3.237
where: short stacking energy: -3.237
Base-Backbone interact. energy: -0.331
local terms energy: -45.289724
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: 5.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 33
Temperature: 2.816667
Total energy: -35.442939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.442939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.442939 (E_RNA)
where:
Base-Base interactions energy: -11.571
where: short stacking energy: -8.983
Base-Backbone interact. energy: 0.123
local terms energy: -23.994874
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -8.059
flat angles P-C4'-P energy: -1.782
tors. eta vs tors. theta energy: 12.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 33
Temperature: 3.200000
Total energy: -29.817360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.817360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.817360 (E_RNA)
where:
Base-Base interactions energy: -9.250
where: short stacking energy: -9.250
Base-Backbone interact. energy: -0.170
local terms energy: -20.397700
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: 0.219
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: 10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 33
Temperature: 3.583333
Total energy: -15.158446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.158446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.158446 (E_RNA)
where:
Base-Base interactions energy: -6.030
where: short stacking energy: -5.027
Base-Backbone interact. energy: 0.770
local terms energy: -9.898493
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -7.892
flat angles C4'-P-C4' energy: -1.803
flat angles P-C4'-P energy: 5.081
tors. eta vs tors. theta energy: 9.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 33
Temperature: 3.966667
Total energy: -5.913632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.913632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.913632 (E_RNA)
where:
Base-Base interactions energy: -4.576
where: short stacking energy: -1.402
Base-Backbone interact. energy: -0.614
local terms energy: -0.724419
where:
bonds (distance) C4'-P energy: -8.674
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -5.507
flat angles P-C4'-P energy: 9.360
tors. eta vs tors. theta energy: 19.460
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: 8
=====================================
Write number: 33
Temperature: 4.350000
Total energy: -4.000495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.000495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.000495 (E_RNA)
where:
Base-Base interactions energy: -3.943
where: short stacking energy: -5.616
Base-Backbone interact. energy: 2.311
local terms energy: -2.367957
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -5.239
flat angles C4'-P-C4' energy: 1.892
flat angles P-C4'-P energy: 0.950
tors. eta vs tors. theta energy: 17.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -353.654927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.654927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.654927 (E_RNA)
where:
Base-Base interactions energy: -226.166
where: short stacking energy: -109.199
Base-Backbone interact. energy: -1.572
local terms energy: -125.917657
where:
bonds (distance) C4'-P energy: -27.264
bonds (distance) P-C4' energy: -25.039
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -19.668
tors. eta vs tors. theta energy: -32.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 34
Temperature: 1.283333
Total energy: -190.697996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.697996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.697996 (E_RNA)
where:
Base-Base interactions energy: -101.303
where: short stacking energy: -52.055
Base-Backbone interact. energy: -0.451
local terms energy: -88.944787
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -22.475
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -13.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 34
Temperature: 1.666667
Total energy: -79.117799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.117799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.117799 (E_RNA)
where:
Base-Base interactions energy: -20.736
where: short stacking energy: -18.921
Base-Backbone interact. energy: -0.126
local terms energy: -58.255427
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: 3.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 34
Temperature: 2.050000
Total energy: -55.323318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.323318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.323318 (E_RNA)
where:
Base-Base interactions energy: -15.496
where: short stacking energy: -9.973
Base-Backbone interact. energy: -1.001
local terms energy: -38.826767
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -10.565
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: 12.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 34
Temperature: 2.433333
Total energy: -42.783631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.783631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.783631 (E_RNA)
where:
Base-Base interactions energy: -18.104
where: short stacking energy: -13.129
Base-Backbone interact. energy: -0.660
local terms energy: -24.019022
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -3.628
flat angles P-C4'-P energy: -4.723
tors. eta vs tors. theta energy: 13.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 34
Temperature: 2.816667
Total energy: -30.701852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.701852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.701852 (E_RNA)
where:
Base-Base interactions energy: -6.616
where: short stacking energy: -6.616
Base-Backbone interact. energy: 0.845
local terms energy: -24.930952
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -0.636
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: 10.972
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: 3
=====================================
Write number: 34
Temperature: 3.200000
Total energy: -20.919311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.919311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.919311 (E_RNA)
where:
Base-Base interactions energy: -5.446
where: short stacking energy: -5.446
Base-Backbone interact. energy: 4.618
local terms energy: -20.090857
where:
bonds (distance) C4'-P energy: -20.937
bonds (distance) P-C4' energy: -7.866
flat angles C4'-P-C4' energy: -6.851
flat angles P-C4'-P energy: 0.118
tors. eta vs tors. theta energy: 15.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 34
Temperature: 3.583333
Total energy: -20.762975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.762975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.762975 (E_RNA)
where:
Base-Base interactions energy: -11.747
where: short stacking energy: -5.430
Base-Backbone interact. energy: 1.849
local terms energy: -10.864924
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -18.882
flat angles C4'-P-C4' energy: 4.754
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: 20.769
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: 8
=====================================
Write number: 34
Temperature: 3.966667
Total energy: -4.356100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.356100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.356100 (E_RNA)
where:
Base-Base interactions energy: -5.139
where: short stacking energy: -4.148
Base-Backbone interact. energy: 1.116
local terms energy: -0.333412
where:
bonds (distance) C4'-P energy: -6.353
bonds (distance) P-C4' energy: -7.532
flat angles C4'-P-C4' energy: 4.212
flat angles P-C4'-P energy: -1.087
tors. eta vs tors. theta energy: 10.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 34
Temperature: 4.350000
Total energy: -3.441491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.441491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.441491 (E_RNA)
where:
Base-Base interactions energy: -0.812
where: short stacking energy: 0.000
Base-Backbone interact. energy: -1.546
local terms energy: -1.083703
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -5.760
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: 5.448
tors. eta vs tors. theta energy: 22.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -360.756567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.756567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.756567 (E_RNA)
where:
Base-Base interactions energy: -232.139
where: short stacking energy: -111.945
Base-Backbone interact. energy: -1.059
local terms energy: -127.558552
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -25.865
flat angles C4'-P-C4' energy: -25.723
flat angles P-C4'-P energy: -17.069
tors. eta vs tors. theta energy: -36.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 35
Temperature: 1.283333
Total energy: -232.502897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.502897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.502897 (E_RNA)
where:
Base-Base interactions energy: -154.252
where: short stacking energy: -77.229
Base-Backbone interact. energy: -0.734
local terms energy: -77.517265
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -13.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 35
Temperature: 1.666667
Total energy: -95.066676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.066676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.066676 (E_RNA)
where:
Base-Base interactions energy: -29.261
where: short stacking energy: -21.291
Base-Backbone interact. energy: -0.733
local terms energy: -65.072405
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -20.624
flat angles C4'-P-C4' energy: -21.497
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: 3.109
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: 5
=====================================
Write number: 35
Temperature: 2.050000
Total energy: -60.678878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.678878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.678878 (E_RNA)
where:
Base-Base interactions energy: -26.406
where: short stacking energy: -18.328
Base-Backbone interact. energy: -0.469
local terms energy: -33.803852
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: 14.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 35
Temperature: 2.433333
Total energy: -47.919080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.919080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.919080 (E_RNA)
where:
Base-Base interactions energy: -17.501
where: short stacking energy: -14.591
Base-Backbone interact. energy: 3.468
local terms energy: -33.886498
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -20.823
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: 16.287
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: 6, replica: 7
=====================================
Write number: 35
Temperature: 2.816667
Total energy: -32.385396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.385396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.385396 (E_RNA)
where:
Base-Base interactions energy: -10.092
where: short stacking energy: -9.522
Base-Backbone interact. energy: -0.123
local terms energy: -22.170030
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -0.773
flat angles P-C4'-P energy: -4.867
tors. eta vs tors. theta energy: 9.025
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: 3
=====================================
Write number: 35
Temperature: 3.200000
Total energy: -21.133867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.133867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.133867 (E_RNA)
where:
Base-Base interactions energy: -11.403
where: short stacking energy: -8.428
Base-Backbone interact. energy: -1.065
local terms energy: -8.665734
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -7.984
flat angles C4'-P-C4' energy: 2.541
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: 17.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 3.583333
Total energy: -16.663121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.663121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.663121 (E_RNA)
where:
Base-Base interactions energy: 0.310
where: short stacking energy: 0.210
Base-Backbone interact. energy: -0.268
local terms energy: -16.704630
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -4.714
flat angles P-C4'-P energy: 4.422
tors. eta vs tors. theta energy: 15.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 35
Temperature: 3.966667
Total energy: -7.543706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.543706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.543706 (E_RNA)
where:
Base-Base interactions energy: -2.455
where: short stacking energy: -2.521
Base-Backbone interact. energy: 8.608
local terms energy: -13.696153
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -8.835
flat angles C4'-P-C4' energy: 6.477
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: 8.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 35
Temperature: 4.350000
Total energy: 1.820500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.820500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.820500 (E_RNA)
where:
Base-Base interactions energy: -1.156
where: short stacking energy: -1.069
Base-Backbone interact. energy: -0.207
local terms energy: 3.182824
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -3.626
flat angles C4'-P-C4' energy: -4.872
flat angles P-C4'-P energy: 3.893
tors. eta vs tors. theta energy: 19.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -364.068878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.068878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.068878 (E_RNA)
where:
Base-Base interactions energy: -239.159
where: short stacking energy: -113.112
Base-Backbone interact. energy: -2.744
local terms energy: -122.165658
where:
bonds (distance) C4'-P energy: -19.169
bonds (distance) P-C4' energy: -28.963
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -33.769
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: 2
=====================================
Write number: 36
Temperature: 1.283333
Total energy: -247.089388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.089388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.089388 (E_RNA)
where:
Base-Base interactions energy: -146.683
where: short stacking energy: -75.856
Base-Backbone interact. energy: -1.320
local terms energy: -99.086673
where:
bonds (distance) C4'-P energy: -21.257
bonds (distance) P-C4' energy: -24.060
flat angles C4'-P-C4' energy: -22.752
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -15.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.666667
Total energy: -90.564386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.564386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.564386 (E_RNA)
where:
Base-Base interactions energy: -28.293
where: short stacking energy: -22.648
Base-Backbone interact. energy: -1.130
local terms energy: -61.141299
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: 5.770
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: 9
=====================================
Write number: 36
Temperature: 2.050000
Total energy: -72.680985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.680985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.680985 (E_RNA)
where:
Base-Base interactions energy: -25.499
where: short stacking energy: -14.010
Base-Backbone interact. energy: -0.468
local terms energy: -46.713168
where:
bonds (distance) C4'-P energy: -8.807
bonds (distance) P-C4' energy: -24.470
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: 3.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 36
Temperature: 2.433333
Total energy: -45.610271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.610271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.610271 (E_RNA)
where:
Base-Base interactions energy: -13.691
where: short stacking energy: -13.201
Base-Backbone interact. energy: 4.262
local terms energy: -36.180729
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -22.258
flat angles C4'-P-C4' energy: -8.129
flat angles P-C4'-P energy: 1.161
tors. eta vs tors. theta energy: 10.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 2.816667
Total energy: -31.892227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.892227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.892227 (E_RNA)
where:
Base-Base interactions energy: -12.928
where: short stacking energy: -11.584
Base-Backbone interact. energy: 3.839
local terms energy: -22.803348
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -9.407
flat angles C4'-P-C4' energy: -3.701
flat angles P-C4'-P energy: 0.338
tors. eta vs tors. theta energy: 6.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 36
Temperature: 3.200000
Total energy: -23.994794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.994794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.994794 (E_RNA)
where:
Base-Base interactions energy: -4.276
where: short stacking energy: 0.000
Base-Backbone interact. energy: 9.075
local terms energy: -28.793632
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -8.335
flat angles P-C4'-P energy: 5.627
tors. eta vs tors. theta energy: 13.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 36
Temperature: 3.583333
Total energy: -19.335446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.335446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.335446 (E_RNA)
where:
Base-Base interactions energy: 0.244
where: short stacking energy: -2.671
Base-Backbone interact. energy: 4.138
local terms energy: -23.717473
where:
bonds (distance) C4'-P energy: -5.815
bonds (distance) P-C4' energy: -21.972
flat angles C4'-P-C4' energy: -8.093
flat angles P-C4'-P energy: -4.141
tors. eta vs tors. theta energy: 16.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 36
Temperature: 3.966667
Total energy: -20.478808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.478808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.478808 (E_RNA)
where:
Base-Base interactions energy: -6.987
where: short stacking energy: -5.806
Base-Backbone interact. energy: -0.848
local terms energy: -12.643756
where:
bonds (distance) C4'-P energy: 1.147
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: 0.347
tors. eta vs tors. theta energy: 10.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 36
Temperature: 4.350000
Total energy: 1.307147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.307147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.307147 (E_RNA)
where:
Base-Base interactions energy: -1.970
where: short stacking energy: -0.962
Base-Backbone interact. energy: -0.230
local terms energy: 3.508063
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: 2.858
flat angles P-C4'-P energy: 11.832
tors. eta vs tors. theta energy: 20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -352.789154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.789154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.789154 (E_RNA)
where:
Base-Base interactions energy: -232.521
where: short stacking energy: -107.270
Base-Backbone interact. energy: -0.908
local terms energy: -119.359855
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -27.413
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -34.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 37
Temperature: 1.283333
Total energy: -223.795273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.795273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.795273 (E_RNA)
where:
Base-Base interactions energy: -142.268
where: short stacking energy: -65.553
Base-Backbone interact. energy: -1.088
local terms energy: -80.439549
where:
bonds (distance) C4'-P energy: -20.311
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -11.719
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: 37
Temperature: 1.666667
Total energy: -91.551470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.551470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.551470 (E_RNA)
where:
Base-Base interactions energy: -33.592
where: short stacking energy: -19.151
Base-Backbone interact. energy: -0.108
local terms energy: -57.851370
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: 11.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 37
Temperature: 2.050000
Total energy: -56.000737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.000737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.000737 (E_RNA)
where:
Base-Base interactions energy: -10.258
where: short stacking energy: -9.116
Base-Backbone interact. energy: -0.610
local terms energy: -45.133526
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -9.199
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: 8.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 37
Temperature: 2.433333
Total energy: -41.315691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.315691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.315691 (E_RNA)
where:
Base-Base interactions energy: -9.111
where: short stacking energy: -6.676
Base-Backbone interact. energy: -1.473
local terms energy: -30.731484
where:
bonds (distance) C4'-P energy: -3.069
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -3.065
tors. eta vs tors. theta energy: 3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 37
Temperature: 2.816667
Total energy: -32.769355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.769355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.769355 (E_RNA)
where:
Base-Base interactions energy: -1.256
where: short stacking energy: -0.620
Base-Backbone interact. energy: -0.252
local terms energy: -31.261118
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -2.787
tors. eta vs tors. theta energy: 15.893
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: 7, replica: 7
=====================================
Write number: 37
Temperature: 3.200000
Total energy: -29.955429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.955429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.955429 (E_RNA)
where:
Base-Base interactions energy: -5.764
where: short stacking energy: -5.764
Base-Backbone interact. energy: -0.775
local terms energy: -23.416436
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -6.343
flat angles P-C4'-P energy: 1.035
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: 8, replica: 4
=====================================
Write number: 37
Temperature: 3.583333
Total energy: -18.729410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.729410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.729410 (E_RNA)
where:
Base-Base interactions energy: -4.825
where: short stacking energy: -2.487
Base-Backbone interact. energy: -0.408
local terms energy: -13.496643
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -1.322
flat angles P-C4'-P energy: 5.067
tors. eta vs tors. theta energy: 14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 37
Temperature: 3.966667
Total energy: -12.030920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.030920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.030920 (E_RNA)
where:
Base-Base interactions energy: -2.701
where: short stacking energy: -3.001
Base-Backbone interact. energy: -0.234
local terms energy: -9.096055
where:
bonds (distance) C4'-P energy: -6.343
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -8.613
flat angles P-C4'-P energy: 0.450
tors. eta vs tors. theta energy: 16.754
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: 10
=====================================
Write number: 37
Temperature: 4.350000
Total energy: -7.388288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.388288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.388288 (E_RNA)
where:
Base-Base interactions energy: -1.477
where: short stacking energy: 0.297
Base-Backbone interact. energy: 3.944
local terms energy: -9.855667
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -6.073
flat angles P-C4'-P energy: 5.568
tors. eta vs tors. theta energy: 13.786
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: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -358.524954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.524954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.524954 (E_RNA)
where:
Base-Base interactions energy: -225.976
where: short stacking energy: -120.249
Base-Backbone interact. energy: -2.644
local terms energy: -129.904436
where:
bonds (distance) C4'-P energy: -24.524
bonds (distance) P-C4' energy: -24.182
flat angles C4'-P-C4' energy: -27.975
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -39.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 38
Temperature: 1.283333
Total energy: -221.225295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.225295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.225295 (E_RNA)
where:
Base-Base interactions energy: -140.250
where: short stacking energy: -73.666
Base-Backbone interact. energy: -0.067
local terms energy: -80.908073
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -25.342
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -4.777
tors. eta vs tors. theta energy: -16.221
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: 5
=====================================
Write number: 38
Temperature: 1.666667
Total energy: -91.245606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.245606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.245606 (E_RNA)
where:
Base-Base interactions energy: -37.322
where: short stacking energy: -27.281
Base-Backbone interact. energy: -0.024
local terms energy: -53.899861
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -20.804
flat angles C4'-P-C4' energy: -8.637
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: 5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 38
Temperature: 2.050000
Total energy: -61.867672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.867672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.867672 (E_RNA)
where:
Base-Base interactions energy: -25.316
where: short stacking energy: -21.676
Base-Backbone interact. energy: -0.235
local terms energy: -36.316085
where:
bonds (distance) C4'-P energy: -20.868
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -2.713
tors. eta vs tors. theta energy: 13.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 38
Temperature: 2.433333
Total energy: -52.590506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.590506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.590506 (E_RNA)
where:
Base-Base interactions energy: -8.883
where: short stacking energy: -8.737
Base-Backbone interact. energy: 0.230
local terms energy: -43.937425
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -8.516
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: 5.246
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: 6
=====================================
Write number: 38
Temperature: 2.816667
Total energy: -28.523628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.523628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.523628 (E_RNA)
where:
Base-Base interactions energy: -0.995
where: short stacking energy: -0.079
Base-Backbone interact. energy: 0.029
local terms energy: -27.557320
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -2.044
flat angles C4'-P-C4' energy: -19.591
flat angles P-C4'-P energy: 2.046
tors. eta vs tors. theta energy: 13.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 38
Temperature: 3.200000
Total energy: -22.421186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.421186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.421186 (E_RNA)
where:
Base-Base interactions energy: -2.730
where: short stacking energy: -5.057
Base-Backbone interact. energy: -0.688
local terms energy: -19.003145
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -9.790
flat angles C4'-P-C4' energy: 1.896
flat angles P-C4'-P energy: 0.680
tors. eta vs tors. theta energy: 9.846
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: 7
=====================================
Write number: 38
Temperature: 3.583333
Total energy: -10.431036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.431036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.431036 (E_RNA)
where:
Base-Base interactions energy: 0.841
where: short stacking energy: -0.759
Base-Backbone interact. energy: 1.626
local terms energy: -12.898565
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -6.837
flat angles P-C4'-P energy: -0.226
tors. eta vs tors. theta energy: 20.477
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: 9, replica: 10
=====================================
Write number: 38
Temperature: 3.966667
Total energy: -13.662703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.662703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.662703 (E_RNA)
where:
Base-Base interactions energy: -1.935
where: short stacking energy: -1.427
Base-Backbone interact. energy: -0.734
local terms energy: -10.994448
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -4.681
flat angles P-C4'-P energy: 3.138
tors. eta vs tors. theta energy: 22.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 38
Temperature: 4.350000
Total energy: -6.274187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.274187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.274187 (E_RNA)
where:
Base-Base interactions energy: -1.306
where: short stacking energy: 0.100
Base-Backbone interact. energy: 6.897
local terms energy: -11.864887
where:
bonds (distance) C4'-P energy: -9.141
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: 2.215
flat angles P-C4'-P energy: 0.678
tors. eta vs tors. theta energy: 16.935
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: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -349.915089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.915089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.915089 (E_RNA)
where:
Base-Base interactions energy: -224.178
where: short stacking energy: -118.235
Base-Backbone interact. energy: -0.455
local terms energy: -125.282467
where:
bonds (distance) C4'-P energy: -22.775
bonds (distance) P-C4' energy: -26.655
flat angles C4'-P-C4' energy: -22.007
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -33.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 1.283333
Total energy: -229.637757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.637757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.637757 (E_RNA)
where:
Base-Base interactions energy: -141.925
where: short stacking energy: -66.022
Base-Backbone interact. energy: -0.832
local terms energy: -86.880460
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -19.279
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -10.237
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: 5
=====================================
Write number: 39
Temperature: 1.666667
Total energy: -89.968382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.968382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.968382 (E_RNA)
where:
Base-Base interactions energy: -32.429
where: short stacking energy: -32.429
Base-Backbone interact. energy: -0.075
local terms energy: -57.464622
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -4.771
tors. eta vs tors. theta energy: 0.420
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: 9
=====================================
Write number: 39
Temperature: 2.050000
Total energy: -57.928521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.928521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.928521 (E_RNA)
where:
Base-Base interactions energy: -23.570
where: short stacking energy: -17.842
Base-Backbone interact. energy: 1.551
local terms energy: -35.909014
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -19.469
flat angles C4'-P-C4' energy: -5.417
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: 8.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 39
Temperature: 2.433333
Total energy: -59.819323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.819323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.819323 (E_RNA)
where:
Base-Base interactions energy: -12.283
where: short stacking energy: -12.283
Base-Backbone interact. energy: -0.681
local terms energy: -46.855763
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -24.060
flat angles C4'-P-C4' energy: -8.396
flat angles P-C4'-P energy: -15.029
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: 6, replica: 4
=====================================
Write number: 39
Temperature: 2.816667
Total energy: -38.930273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.930273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.930273 (E_RNA)
where:
Base-Base interactions energy: -1.510
where: short stacking energy: -3.110
Base-Backbone interact. energy: -0.192
local terms energy: -37.228592
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -4.615
tors. eta vs tors. theta energy: 13.512
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: 6
=====================================
Write number: 39
Temperature: 3.200000
Total energy: -27.631474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.631474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.631474 (E_RNA)
where:
Base-Base interactions energy: -23.623
where: short stacking energy: -10.407
Base-Backbone interact. energy: 3.799
local terms energy: -7.807923
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: 4.883
flat angles P-C4'-P energy: 6.208
tors. eta vs tors. theta energy: 13.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 39
Temperature: 3.583333
Total energy: -17.343841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.343841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.343841 (E_RNA)
where:
Base-Base interactions energy: -8.870
where: short stacking energy: -8.587
Base-Backbone interact. energy: 0.712
local terms energy: -9.186121
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -9.115
flat angles C4'-P-C4' energy: 1.835
flat angles P-C4'-P energy: -0.316
tors. eta vs tors. theta energy: 14.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 3.966667
Total energy: -15.896579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.896579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.896579 (E_RNA)
where:
Base-Base interactions energy: -0.736
where: short stacking energy: 0.000
Base-Backbone interact. energy: 7.524
local terms energy: -22.685400
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: 1.502
tors. eta vs tors. theta energy: 19.735
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: 3
=====================================
Write number: 39
Temperature: 4.350000
Total energy: -0.533977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.533977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.533977 (E_RNA)
where:
Base-Base interactions energy: -1.800
where: short stacking energy: -1.619
Base-Backbone interact. energy: -0.513
local terms energy: 1.778225
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -9.507
flat angles C4'-P-C4' energy: 1.019
flat angles P-C4'-P energy: 3.955
tors. eta vs tors. theta energy: 16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -345.487531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.487531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.487531 (E_RNA)
where:
Base-Base interactions energy: -223.877
where: short stacking energy: -109.283
Base-Backbone interact. energy: -0.985
local terms energy: -120.625530
where:
bonds (distance) C4'-P energy: -26.101
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -25.875
flat angles P-C4'-P energy: -19.413
tors. eta vs tors. theta energy: -30.781
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: 40
Temperature: 1.283333
Total energy: -230.434587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.434587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.434587 (E_RNA)
where:
Base-Base interactions energy: -139.699
where: short stacking energy: -61.186
Base-Backbone interact. energy: -0.386
local terms energy: -90.349999
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -23.456
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -11.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 40
Temperature: 1.666667
Total energy: -96.269171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.269171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.269171 (E_RNA)
where:
Base-Base interactions energy: -33.512
where: short stacking energy: -33.440
Base-Backbone interact. energy: -0.807
local terms energy: -61.950527
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 40
Temperature: 2.050000
Total energy: -56.647071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.647071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.647071 (E_RNA)
where:
Base-Base interactions energy: -15.023
where: short stacking energy: -7.591
Base-Backbone interact. energy: -0.425
local terms energy: -41.199176
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -9.941
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: 12.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 40
Temperature: 2.433333
Total energy: -53.951706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.951706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.951706 (E_RNA)
where:
Base-Base interactions energy: -11.740
where: short stacking energy: -8.784
Base-Backbone interact. energy: 1.493
local terms energy: -43.705044
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -22.904
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -4.180
tors. eta vs tors. theta energy: 14.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 40
Temperature: 2.816667
Total energy: -33.863953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.863953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.863953 (E_RNA)
where:
Base-Base interactions energy: -7.795
where: short stacking energy: -7.224
Base-Backbone interact. energy: 1.903
local terms energy: -27.972063
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -11.150
flat angles C4'-P-C4' energy: -7.876
flat angles P-C4'-P energy: -4.303
tors. eta vs tors. theta energy: 12.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 40
Temperature: 3.200000
Total energy: -25.143000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.143000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.143000 (E_RNA)
where:
Base-Base interactions energy: -7.500
where: short stacking energy: -3.332
Base-Backbone interact. energy: 2.753
local terms energy: -20.395727
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -6.519
flat angles P-C4'-P energy: 1.717
tors. eta vs tors. theta energy: 15.732
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: 6
=====================================
Write number: 40
Temperature: 3.583333
Total energy: -21.011622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.011622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.011622 (E_RNA)
where:
Base-Base interactions energy: -10.443
where: short stacking energy: -11.543
Base-Backbone interact. energy: -1.190
local terms energy: -9.379178
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -4.949
flat angles C4'-P-C4' energy: 0.119
flat angles P-C4'-P energy: -3.601
tors. eta vs tors. theta energy: 14.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 40
Temperature: 3.966667
Total energy: -20.117979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.117979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.117979 (E_RNA)
where:
Base-Base interactions energy: -1.554
where: short stacking energy: -0.534
Base-Backbone interact. energy: 3.600
local terms energy: -22.164151
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: 2.412
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: 14.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 40
Temperature: 4.350000
Total energy: 0.487292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.487292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.487292 (E_RNA)
where:
Base-Base interactions energy: -7.796
where: short stacking energy: -5.051
Base-Backbone interact. energy: 4.788
local terms energy: 3.495292
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -3.654
flat angles C4'-P-C4' energy: 3.448
flat angles P-C4'-P energy: 0.383
tors. eta vs tors. theta energy: 18.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -370.719562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.719562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.719562 (E_RNA)
where:
Base-Base interactions energy: -236.818
where: short stacking energy: -132.563
Base-Backbone interact. energy: -0.003
local terms energy: -133.899191
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -26.123
flat angles C4'-P-C4' energy: -29.742
flat angles P-C4'-P energy: -17.030
tors. eta vs tors. theta energy: -37.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 1.283333
Total energy: -225.678488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.678488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.678488 (E_RNA)
where:
Base-Base interactions energy: -138.719
where: short stacking energy: -62.552
Base-Backbone interact. energy: -0.665
local terms energy: -86.294988
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -11.184
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: 9
=====================================
Write number: 41
Temperature: 1.666667
Total energy: -82.075030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.075030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.075030 (E_RNA)
where:
Base-Base interactions energy: -25.952
where: short stacking energy: -21.752
Base-Backbone interact. energy: -1.055
local terms energy: -55.068409
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: 6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 41
Temperature: 2.050000
Total energy: -64.671440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.671440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.671440 (E_RNA)
where:
Base-Base interactions energy: -27.355
where: short stacking energy: -27.355
Base-Backbone interact. energy: 1.026
local terms energy: -38.343010
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -2.543
tors. eta vs tors. theta energy: 3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 41
Temperature: 2.433333
Total energy: -42.196344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.196344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.196344 (E_RNA)
where:
Base-Base interactions energy: -6.359
where: short stacking energy: -6.259
Base-Backbone interact. energy: 0.649
local terms energy: -36.486584
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -5.630
tors. eta vs tors. theta energy: 12.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 41
Temperature: 2.816667
Total energy: -45.966318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.966318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.966318 (E_RNA)
where:
Base-Base interactions energy: -14.038
where: short stacking energy: -10.719
Base-Backbone interact. energy: -0.026
local terms energy: -31.902048
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -6.893
flat angles P-C4'-P energy: -4.045
tors. eta vs tors. theta energy: 12.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 3.200000
Total energy: -28.553175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.553175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.553175 (E_RNA)
where:
Base-Base interactions energy: -2.586
where: short stacking energy: -2.748
Base-Backbone interact. energy: 5.404
local terms energy: -31.370408
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: 3.383
tors. eta vs tors. theta energy: 14.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 41
Temperature: 3.583333
Total energy: -10.318250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.318250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.318250 (E_RNA)
where:
Base-Base interactions energy: -0.437
where: short stacking energy: 1.351
Base-Backbone interact. energy: 3.592
local terms energy: -13.472338
where:
bonds (distance) C4'-P energy: -21.363
bonds (distance) P-C4' energy: -6.015
flat angles C4'-P-C4' energy: -1.296
flat angles P-C4'-P energy: 0.667
tors. eta vs tors. theta energy: 14.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 41
Temperature: 3.966667
Total energy: -8.508288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.508288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.508288 (E_RNA)
where:
Base-Base interactions energy: -6.164
where: short stacking energy: -4.629
Base-Backbone interact. energy: 0.344
local terms energy: -2.688054
where:
bonds (distance) C4'-P energy: -5.754
bonds (distance) P-C4' energy: -9.889
flat angles C4'-P-C4' energy: 4.128
flat angles P-C4'-P energy: -3.049
tors. eta vs tors. theta energy: 11.876
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: 10
=====================================
Write number: 41
Temperature: 4.350000
Total energy: 0.406126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.406126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.406126 (E_RNA)
where:
Base-Base interactions energy: 0.617
where: short stacking energy: -1.983
Base-Backbone interact. energy: 2.299
local terms energy: -2.510603
where:
bonds (distance) C4'-P energy: -8.196
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -8.383
flat angles P-C4'-P energy: 17.804
tors. eta vs tors. theta energy: 8.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -343.980226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.980226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.980226 (E_RNA)
where:
Base-Base interactions energy: -209.746
where: short stacking energy: -114.447
Base-Backbone interact. energy: -1.279
local terms energy: -132.954988
where:
bonds (distance) C4'-P energy: -25.943
bonds (distance) P-C4' energy: -26.855
flat angles C4'-P-C4' energy: -25.684
flat angles P-C4'-P energy: -19.162
tors. eta vs tors. theta energy: -35.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 1.283333
Total energy: -227.432774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.432774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.432774 (E_RNA)
where:
Base-Base interactions energy: -136.896
where: short stacking energy: -62.637
Base-Backbone interact. energy: -0.110
local terms energy: -90.426592
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -28.427
flat angles C4'-P-C4' energy: -21.782
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -9.176
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: 9
=====================================
Write number: 42
Temperature: 1.666667
Total energy: -87.433141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.433141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.433141 (E_RNA)
where:
Base-Base interactions energy: -22.086
where: short stacking energy: -21.685
Base-Backbone interact. energy: -0.248
local terms energy: -65.098440
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: 6.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 42
Temperature: 2.050000
Total energy: -61.795397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.795397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.795397 (E_RNA)
where:
Base-Base interactions energy: -21.494
where: short stacking energy: -17.015
Base-Backbone interact. energy: 2.259
local terms energy: -42.560373
where:
bonds (distance) C4'-P energy: -24.662
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -4.576
tors. eta vs tors. theta energy: 10.305
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: 4
=====================================
Write number: 42
Temperature: 2.433333
Total energy: -58.996226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.996226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.996226 (E_RNA)
where:
Base-Base interactions energy: -13.489
where: short stacking energy: -7.632
Base-Backbone interact. energy: -0.568
local terms energy: -44.939202
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -5.683
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: 4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 42
Temperature: 2.816667
Total energy: -35.983830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.983830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.983830 (E_RNA)
where:
Base-Base interactions energy: -7.184
where: short stacking energy: -6.303
Base-Backbone interact. energy: 0.479
local terms energy: -29.279574
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -9.153
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: 13.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 42
Temperature: 3.200000
Total energy: -20.609200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.609200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.609200 (E_RNA)
where:
Base-Base interactions energy: -3.597
where: short stacking energy: -2.501
Base-Backbone interact. energy: 1.748
local terms energy: -18.760134
where:
bonds (distance) C4'-P energy: -3.768
bonds (distance) P-C4' energy: -24.797
flat angles C4'-P-C4' energy: -8.943
flat angles P-C4'-P energy: 1.372
tors. eta vs tors. theta energy: 17.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 42
Temperature: 3.583333
Total energy: -15.543299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.543299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.543299 (E_RNA)
where:
Base-Base interactions energy: 1.069
where: short stacking energy: -1.131
Base-Backbone interact. energy: -0.876
local terms energy: -15.735826
where:
bonds (distance) C4'-P energy: -22.440
bonds (distance) P-C4' energy: -9.274
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: 15.176
tors. eta vs tors. theta energy: 13.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 42
Temperature: 3.966667
Total energy: -10.396028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.396028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.396028 (E_RNA)
where:
Base-Base interactions energy: -4.325
where: short stacking energy: -1.795
Base-Backbone interact. energy: -0.196
local terms energy: -5.875400
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -7.508
flat angles C4'-P-C4' energy: 5.456
flat angles P-C4'-P energy: 1.010
tors. eta vs tors. theta energy: 13.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 42
Temperature: 4.350000
Total energy: -16.062262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.062262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.062262 (E_RNA)
where:
Base-Base interactions energy: -9.689
where: short stacking energy: -4.075
Base-Backbone interact. energy: 0.923
local terms energy: -7.295778
where:
bonds (distance) C4'-P energy: -9.167
bonds (distance) P-C4' energy: -8.790
flat angles C4'-P-C4' energy: -0.811
flat angles P-C4'-P energy: -2.615
tors. eta vs tors. theta energy: 14.087
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: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -354.752239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.752239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.752239 (E_RNA)
where:
Base-Base interactions energy: -219.243
where: short stacking energy: -113.234
Base-Backbone interact. energy: -2.791
local terms energy: -132.718651
where:
bonds (distance) C4'-P energy: -24.214
bonds (distance) P-C4' energy: -26.503
flat angles C4'-P-C4' energy: -28.719
flat angles P-C4'-P energy: -20.998
tors. eta vs tors. theta energy: -32.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 1.283333
Total energy: -193.347002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.347002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.347002 (E_RNA)
where:
Base-Base interactions energy: -110.281
where: short stacking energy: -48.045
Base-Backbone interact. energy: -0.203
local terms energy: -82.863429
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -23.594
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -9.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 43
Temperature: 1.666667
Total energy: -90.494461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.494461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.494461 (E_RNA)
where:
Base-Base interactions energy: -22.913
where: short stacking energy: -22.792
Base-Backbone interact. energy: 0.849
local terms energy: -68.430092
where:
bonds (distance) C4'-P energy: -27.215
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: 4.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 2.050000
Total energy: -59.774549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.774549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.774549 (E_RNA)
where:
Base-Base interactions energy: -16.594
where: short stacking energy: -14.109
Base-Backbone interact. energy: -0.906
local terms energy: -42.274362
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: 13.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 43
Temperature: 2.433333
Total energy: -63.208286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.208286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.208286 (E_RNA)
where:
Base-Base interactions energy: -13.348
where: short stacking energy: -13.348
Base-Backbone interact. energy: 0.814
local terms energy: -50.674562
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: 15.392
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: 8
=====================================
Write number: 43
Temperature: 2.816667
Total energy: -31.024904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.024904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.024904 (E_RNA)
where:
Base-Base interactions energy: -8.028
where: short stacking energy: -8.028
Base-Backbone interact. energy: -0.357
local terms energy: -22.639936
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -9.105
flat angles C4'-P-C4' energy: 1.224
flat angles P-C4'-P energy: -3.273
tors. eta vs tors. theta energy: 7.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 43
Temperature: 3.200000
Total energy: -27.576575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.576575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.576575 (E_RNA)
where:
Base-Base interactions energy: -3.867
where: short stacking energy: 0.700
Base-Backbone interact. energy: -0.067
local terms energy: -23.643142
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -5.475
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: 20.420
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: 3
=====================================
Write number: 43
Temperature: 3.583333
Total energy: -19.367453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.367453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.367453 (E_RNA)
where:
Base-Base interactions energy: -2.542
where: short stacking energy: -2.183
Base-Backbone interact. energy: -0.257
local terms energy: -16.568146
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -20.089
flat angles C4'-P-C4' energy: 0.816
flat angles P-C4'-P energy: 0.653
tors. eta vs tors. theta energy: 16.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 43
Temperature: 3.966667
Total energy: -7.969914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.969914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.969914 (E_RNA)
where:
Base-Base interactions energy: -2.079
where: short stacking energy: -1.752
Base-Backbone interact. energy: 1.091
local terms energy: -6.982103
where:
bonds (distance) C4'-P energy: -5.877
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -3.459
flat angles P-C4'-P energy: 0.053
tors. eta vs tors. theta energy: 15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 4.350000
Total energy: -0.084234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.084234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.084234 (E_RNA)
where:
Base-Base interactions energy: -8.818
where: short stacking energy: -9.838
Base-Backbone interact. energy: 2.636
local terms energy: 6.097720
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: 13.782
flat angles P-C4'-P energy: 2.794
tors. eta vs tors. theta energy: 19.143
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: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -346.491478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.491478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.491478 (E_RNA)
where:
Base-Base interactions energy: -221.891
where: short stacking energy: -117.398
Base-Backbone interact. energy: -0.271
local terms energy: -124.329103
where:
bonds (distance) C4'-P energy: -22.484
bonds (distance) P-C4' energy: -26.148
flat angles C4'-P-C4' energy: -26.664
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -29.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 1.283333
Total energy: -195.329562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.329562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.329562 (E_RNA)
where:
Base-Base interactions energy: -111.605
where: short stacking energy: -68.976
Base-Backbone interact. energy: -0.250
local terms energy: -83.474764
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -23.309
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -7.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 44
Temperature: 1.666667
Total energy: -103.171249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.171249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.171249 (E_RNA)
where:
Base-Base interactions energy: -43.892
where: short stacking energy: -40.120
Base-Backbone interact. energy: 0.773
local terms energy: -60.052274
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -22.504
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: 0.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 44
Temperature: 2.050000
Total energy: -61.144584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.144584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.144584 (E_RNA)
where:
Base-Base interactions energy: -13.535
where: short stacking energy: -12.274
Base-Backbone interact. energy: -0.419
local terms energy: -47.191267
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -25.266
flat angles C4'-P-C4' energy: -7.985
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: 7.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 44
Temperature: 2.433333
Total energy: -56.439640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.439640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.439640 (E_RNA)
where:
Base-Base interactions energy: -13.850
where: short stacking energy: -12.787
Base-Backbone interact. energy: 2.179
local terms energy: -44.768572
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -5.992
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: 8.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 44
Temperature: 2.816667
Total energy: -39.160122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.160122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.160122 (E_RNA)
where:
Base-Base interactions energy: -17.026
where: short stacking energy: -13.315
Base-Backbone interact. energy: -0.556
local terms energy: -21.578398
where:
bonds (distance) C4'-P energy: -8.417
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -7.892
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: 13.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 3.200000
Total energy: -31.935083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.935083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.935083 (E_RNA)
where:
Base-Base interactions energy: -4.957
where: short stacking energy: -4.077
Base-Backbone interact. energy: 0.369
local terms energy: -27.347298
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -2.183
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: 12.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 44
Temperature: 3.583333
Total energy: -20.685540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.685540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.685540 (E_RNA)
where:
Base-Base interactions energy: -5.516
where: short stacking energy: -4.866
Base-Backbone interact. energy: -0.546
local terms energy: -14.623264
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -5.697
flat angles P-C4'-P energy: -1.064
tors. eta vs tors. theta energy: 16.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 44
Temperature: 3.966667
Total energy: -11.181217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.181217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.181217 (E_RNA)
where:
Base-Base interactions energy: 5.120
where: short stacking energy: -2.645
Base-Backbone interact. energy: -0.525
local terms energy: -15.776518
where:
bonds (distance) C4'-P energy: -10.035
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -4.850
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: 16.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 44
Temperature: 4.350000
Total energy: 4.613260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4.613260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 4.613260 (E_RNA)
where:
Base-Base interactions energy: -2.758
where: short stacking energy: -1.274
Base-Backbone interact. energy: 8.379
local terms energy: -1.007642
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: 2.674
flat angles P-C4'-P energy: 10.706
tors. eta vs tors. theta energy: 14.141
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: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -376.132637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.132637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.132637 (E_RNA)
where:
Base-Base interactions energy: -250.700
where: short stacking energy: -121.499
Base-Backbone interact. energy: -0.145
local terms energy: -125.287561
where:
bonds (distance) C4'-P energy: -27.650
bonds (distance) P-C4' energy: -25.038
flat angles C4'-P-C4' energy: -26.690
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -34.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 45
Temperature: 1.283333
Total energy: -188.386300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.386300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.386300 (E_RNA)
where:
Base-Base interactions energy: -116.842
where: short stacking energy: -69.714
Base-Backbone interact. energy: -0.420
local terms energy: -71.124163
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -22.255
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -7.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 45
Temperature: 1.666667
Total energy: -88.870621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.870621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.870621 (E_RNA)
where:
Base-Base interactions energy: -22.791
where: short stacking energy: -22.791
Base-Backbone interact. energy: -0.133
local terms energy: -65.946669
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -23.936
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: 2.035
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: 5
=====================================
Write number: 45
Temperature: 2.050000
Total energy: -63.005544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.005544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.005544 (E_RNA)
where:
Base-Base interactions energy: -20.000
where: short stacking energy: -16.280
Base-Backbone interact. energy: -0.393
local terms energy: -42.613241
where:
bonds (distance) C4'-P energy: -1.695
bonds (distance) P-C4' energy: -25.400
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: 4.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 45
Temperature: 2.433333
Total energy: -46.517320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.517320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.517320 (E_RNA)
where:
Base-Base interactions energy: -13.980
where: short stacking energy: -8.343
Base-Backbone interact. energy: -0.789
local terms energy: -31.749080
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -6.036
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: 14.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 45
Temperature: 2.816667
Total energy: -32.642656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.642656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.642656 (E_RNA)
where:
Base-Base interactions energy: -13.587
where: short stacking energy: -11.548
Base-Backbone interact. energy: 0.121
local terms energy: -19.177102
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: 6.699
flat angles P-C4'-P energy: -2.351
tors. eta vs tors. theta energy: 6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 45
Temperature: 3.200000
Total energy: -30.317533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.317533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.317533 (E_RNA)
where:
Base-Base interactions energy: -4.815
where: short stacking energy: -1.220
Base-Backbone interact. energy: 14.548
local terms energy: -40.050656
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -22.283
flat angles C4'-P-C4' energy: -5.523
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: 10.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 3.583333
Total energy: -17.910350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.910350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.910350 (E_RNA)
where:
Base-Base interactions energy: -7.374
where: short stacking energy: -6.356
Base-Backbone interact. energy: -0.254
local terms energy: -10.282036
where:
bonds (distance) C4'-P energy: -17.837
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -0.049
flat angles P-C4'-P energy: 8.184
tors. eta vs tors. theta energy: 13.968
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: 9, replica: 7
=====================================
Write number: 45
Temperature: 3.966667
Total energy: -4.497315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.497315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.497315 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 1.023
Base-Backbone interact. energy: 11.950
local terms energy: -16.448230
where:
bonds (distance) C4'-P energy: -3.381
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -4.124
tors. eta vs tors. theta energy: 18.781
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: 10, replica: 10
=====================================
Write number: 45
Temperature: 4.350000
Total energy: -4.799819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.799819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.799819 (E_RNA)
where:
Base-Base interactions energy: 2.726
where: short stacking energy: -1.374
Base-Backbone interact. energy: -0.546
local terms energy: -6.979533
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -10.483
flat angles C4'-P-C4' energy: -1.203
flat angles P-C4'-P energy: 0.974
tors. eta vs tors. theta energy: 16.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -376.452702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.452702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.452702 (E_RNA)
where:
Base-Base interactions energy: -251.991
where: short stacking energy: -125.881
Base-Backbone interact. energy: -0.293
local terms energy: -124.169585
where:
bonds (distance) C4'-P energy: -25.787
bonds (distance) P-C4' energy: -23.342
flat angles C4'-P-C4' energy: -28.495
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -33.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 1.283333
Total energy: -184.346476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.346476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.346476 (E_RNA)
where:
Base-Base interactions energy: -104.866
where: short stacking energy: -58.091
Base-Backbone interact. energy: -0.376
local terms energy: -79.103827
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -18.513
tors. eta vs tors. theta energy: -5.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 46
Temperature: 1.666667
Total energy: -85.734183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.734183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.734183 (E_RNA)
where:
Base-Base interactions energy: -17.237
where: short stacking energy: -14.888
Base-Backbone interact. energy: -0.472
local terms energy: -68.025137
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: 4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 46
Temperature: 2.050000
Total energy: -67.972543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.972543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.972543 (E_RNA)
where:
Base-Base interactions energy: -15.100
where: short stacking energy: -14.391
Base-Backbone interact. energy: -0.424
local terms energy: -52.448518
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: 10.626
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: 46
Temperature: 2.433333
Total energy: -44.156181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.156181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.156181 (E_RNA)
where:
Base-Base interactions energy: -14.920
where: short stacking energy: -12.020
Base-Backbone interact. energy: 0.982
local terms energy: -30.218141
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -1.850
tors. eta vs tors. theta energy: 12.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 46
Temperature: 2.816667
Total energy: -36.596606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.596606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.596606 (E_RNA)
where:
Base-Base interactions energy: -16.963
where: short stacking energy: -16.963
Base-Backbone interact. energy: -0.311
local terms energy: -19.322056
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -7.950
flat angles C4'-P-C4' energy: -8.908
flat angles P-C4'-P energy: 0.349
tors. eta vs tors. theta energy: 8.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 46
Temperature: 3.200000
Total energy: -20.378362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.378362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.378362 (E_RNA)
where:
Base-Base interactions energy: -2.235
where: short stacking energy: -1.765
Base-Backbone interact. energy: 3.089
local terms energy: -21.232560
where:
bonds (distance) C4'-P energy: -5.600
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: 2.176
tors. eta vs tors. theta energy: 7.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 46
Temperature: 3.583333
Total energy: -19.746948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.746948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.746948 (E_RNA)
where:
Base-Base interactions energy: -4.809
where: short stacking energy: -3.222
Base-Backbone interact. energy: 2.078
local terms energy: -17.015648
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: 6.615
tors. eta vs tors. theta energy: 11.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 3.966667
Total energy: -2.302832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.302832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.302832 (E_RNA)
where:
Base-Base interactions energy: -0.754
where: short stacking energy: -0.070
Base-Backbone interact. energy: -0.384
local terms energy: -1.164069
where:
bonds (distance) C4'-P energy: -8.187
bonds (distance) P-C4' energy: -4.226
flat angles C4'-P-C4' energy: -9.391
flat angles P-C4'-P energy: 5.086
tors. eta vs tors. theta energy: 15.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 46
Temperature: 4.350000
Total energy: -1.532516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.532516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.532516 (E_RNA)
where:
Base-Base interactions energy: -2.715
where: short stacking energy: -0.126
Base-Backbone interact. energy: 0.213
local terms energy: 0.969736
where:
bonds (distance) C4'-P energy: -4.817
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: 4.313
flat angles P-C4'-P energy: -2.416
tors. eta vs tors. theta energy: 18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -385.224600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.224600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.224600 (E_RNA)
where:
Base-Base interactions energy: -264.643
where: short stacking energy: -130.246
Base-Backbone interact. energy: -0.347
local terms energy: -120.234227
where:
bonds (distance) C4'-P energy: -24.992
bonds (distance) P-C4' energy: -29.499
flat angles C4'-P-C4' energy: -24.377
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -30.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 1.283333
Total energy: -192.598009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.598009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.598009 (E_RNA)
where:
Base-Base interactions energy: -95.739
where: short stacking energy: -59.198
Base-Backbone interact. energy: 1.491
local terms energy: -98.349884
where:
bonds (distance) C4'-P energy: -26.324
bonds (distance) P-C4' energy: -23.996
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -18.699
tors. eta vs tors. theta energy: -10.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 47
Temperature: 1.666667
Total energy: -87.767090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.767090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.767090 (E_RNA)
where:
Base-Base interactions energy: -29.951
where: short stacking energy: -20.507
Base-Backbone interact. energy: 0.065
local terms energy: -57.880765
where:
bonds (distance) C4'-P energy: -19.958
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: 4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 47
Temperature: 2.050000
Total energy: -68.218503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.218503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.218503 (E_RNA)
where:
Base-Base interactions energy: -11.791
where: short stacking energy: -10.064
Base-Backbone interact. energy: 0.352
local terms energy: -56.778761
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -23.242
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: 9.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 47
Temperature: 2.433333
Total energy: -47.490010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.490010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.490010 (E_RNA)
where:
Base-Base interactions energy: -16.225
where: short stacking energy: -15.986
Base-Backbone interact. energy: 0.854
local terms energy: -32.118152
where:
bonds (distance) C4'-P energy: -6.047
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -4.865
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: 7.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 2.816667
Total energy: -30.928992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.928992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.928992 (E_RNA)
where:
Base-Base interactions energy: -5.458
where: short stacking energy: -3.136
Base-Backbone interact. energy: 2.873
local terms energy: -28.343716
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -10.748
flat angles C4'-P-C4' energy: -9.665
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: 10.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 47
Temperature: 3.200000
Total energy: -19.249444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.249444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.249444 (E_RNA)
where:
Base-Base interactions energy: 0.356
where: short stacking energy: -1.927
Base-Backbone interact. energy: 11.040
local terms energy: -30.644859
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: 0.268
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: 18.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 47
Temperature: 3.583333
Total energy: -17.788250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.788250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.788250 (E_RNA)
where:
Base-Base interactions energy: -11.396
where: short stacking energy: -6.673
Base-Backbone interact. energy: 9.258
local terms energy: -15.650353
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: 2.172
flat angles P-C4'-P energy: 6.483
tors. eta vs tors. theta energy: 8.538
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: 6
=====================================
Write number: 47
Temperature: 3.966667
Total energy: -10.588332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.588332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.588332 (E_RNA)
where:
Base-Base interactions energy: -4.434
where: short stacking energy: 0.133
Base-Backbone interact. energy: -0.374
local terms energy: -5.780930
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -9.257
flat angles P-C4'-P energy: 13.067
tors. eta vs tors. theta energy: 17.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 47
Temperature: 4.350000
Total energy: -0.692149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.692149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.692149 (E_RNA)
where:
Base-Base interactions energy: -3.012
where: short stacking energy: -3.542
Base-Backbone interact. energy: 1.891
local terms energy: 0.429067
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -11.494
flat angles C4'-P-C4' energy: -3.468
flat angles P-C4'-P energy: 4.838
tors. eta vs tors. theta energy: 20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -379.451430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.451430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.451430 (E_RNA)
where:
Base-Base interactions energy: -251.759
where: short stacking energy: -120.941
Base-Backbone interact. energy: -1.082
local terms energy: -126.610582
where:
bonds (distance) C4'-P energy: -25.614
bonds (distance) P-C4' energy: -22.935
flat angles C4'-P-C4' energy: -23.620
flat angles P-C4'-P energy: -19.247
tors. eta vs tors. theta energy: -35.195
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: 48
Temperature: 1.283333
Total energy: -197.406313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.406313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.406313 (E_RNA)
where:
Base-Base interactions energy: -112.449
where: short stacking energy: -68.199
Base-Backbone interact. energy: -0.000
local terms energy: -84.957469
where:
bonds (distance) C4'-P energy: -19.931
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -17.058
tors. eta vs tors. theta energy: -14.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 48
Temperature: 1.666667
Total energy: -80.760705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.760705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.760705 (E_RNA)
where:
Base-Base interactions energy: -30.141
where: short stacking energy: -23.727
Base-Backbone interact. energy: -0.475
local terms energy: -50.145297
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -25.720
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -1.510
tors. eta vs tors. theta energy: 11.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 48
Temperature: 2.050000
Total energy: -58.421561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.421561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.421561 (E_RNA)
where:
Base-Base interactions energy: -8.687
where: short stacking energy: -8.206
Base-Backbone interact. energy: -0.572
local terms energy: -49.162863
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: 11.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 2.433333
Total energy: -49.010125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.010125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.010125 (E_RNA)
where:
Base-Base interactions energy: -28.659
where: short stacking energy: -16.586
Base-Backbone interact. energy: 9.398
local terms energy: -29.749795
where:
bonds (distance) C4'-P energy: -22.615
bonds (distance) P-C4' energy: -9.136
flat angles C4'-P-C4' energy: -5.411
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: 13.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 48
Temperature: 2.816667
Total energy: -37.077820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.077820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.077820 (E_RNA)
where:
Base-Base interactions energy: -12.142
where: short stacking energy: -6.705
Base-Backbone interact. energy: -0.821
local terms energy: -24.115170
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -10.304
flat angles P-C4'-P energy: 2.934
tors. eta vs tors. theta energy: 12.283
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: 7, replica: 8
=====================================
Write number: 48
Temperature: 3.200000
Total energy: -24.092123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.092123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.092123 (E_RNA)
where:
Base-Base interactions energy: -5.446
where: short stacking energy: -2.226
Base-Backbone interact. energy: 0.773
local terms energy: -19.419108
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -3.357
flat angles P-C4'-P energy: -4.148
tors. eta vs tors. theta energy: 11.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 48
Temperature: 3.583333
Total energy: -13.544928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.544928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.544928 (E_RNA)
where:
Base-Base interactions energy: -10.140
where: short stacking energy: -4.707
Base-Backbone interact. energy: 4.458
local terms energy: -7.862819
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -2.335
flat angles P-C4'-P energy: -3.414
tors. eta vs tors. theta energy: 21.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 48
Temperature: 3.966667
Total energy: -6.939776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.939776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.939776 (E_RNA)
where:
Base-Base interactions energy: -9.927
where: short stacking energy: -6.096
Base-Backbone interact. energy: 2.217
local terms energy: 0.770772
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -10.281
flat angles C4'-P-C4' energy: 1.355
flat angles P-C4'-P energy: 7.761
tors. eta vs tors. theta energy: 17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 48
Temperature: 4.350000
Total energy: -11.910777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.910777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.910777 (E_RNA)
where:
Base-Base interactions energy: -5.140
where: short stacking energy: -4.674
Base-Backbone interact. energy: -1.011
local terms energy: -5.759596
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -1.291
flat angles P-C4'-P energy: 0.757
tors. eta vs tors. theta energy: 20.055
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: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -377.335125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.335125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.335125 (E_RNA)
where:
Base-Base interactions energy: -251.513
where: short stacking energy: -115.953
Base-Backbone interact. energy: -0.192
local terms energy: -125.629719
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -27.747
flat angles P-C4'-P energy: -21.250
tors. eta vs tors. theta energy: -32.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 49
Temperature: 1.283333
Total energy: -191.988766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.988766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.988766 (E_RNA)
where:
Base-Base interactions energy: -105.446
where: short stacking energy: -63.637
Base-Backbone interact. energy: -0.139
local terms energy: -86.403636
where:
bonds (distance) C4'-P energy: -23.177
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 49
Temperature: 1.666667
Total energy: -76.827173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.827173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.827173 (E_RNA)
where:
Base-Base interactions energy: -19.115
where: short stacking energy: -19.115
Base-Backbone interact. energy: -0.245
local terms energy: -57.466846
where:
bonds (distance) C4'-P energy: -20.380
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: 5.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 49
Temperature: 2.050000
Total energy: -68.799073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.799073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.799073 (E_RNA)
where:
Base-Base interactions energy: -20.583
where: short stacking energy: -18.377
Base-Backbone interact. energy: -0.466
local terms energy: -47.750069
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -7.163
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: 5.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 49
Temperature: 2.433333
Total energy: -58.012449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.012449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.012449 (E_RNA)
where:
Base-Base interactions energy: -13.555
where: short stacking energy: -11.013
Base-Backbone interact. energy: -0.675
local terms energy: -43.782750
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -20.261
flat angles C4'-P-C4' energy: -5.490
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: 9.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 49
Temperature: 2.816667
Total energy: -37.938979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.938979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.938979 (E_RNA)
where:
Base-Base interactions energy: -8.974
where: short stacking energy: -7.754
Base-Backbone interact. energy: -0.485
local terms energy: -28.479517
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -9.211
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: 19.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 49
Temperature: 3.200000
Total energy: -27.036745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.036745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.036745 (E_RNA)
where:
Base-Base interactions energy: -10.465
where: short stacking energy: -8.374
Base-Backbone interact. energy: 1.057
local terms energy: -17.629260
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -10.777
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: 3.943
tors. eta vs tors. theta energy: 17.787
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: 8, replica: 6
=====================================
Write number: 49
Temperature: 3.583333
Total energy: -21.816223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.816223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.816223 (E_RNA)
where:
Base-Base interactions energy: -9.797
where: short stacking energy: -8.245
Base-Backbone interact. energy: 1.654
local terms energy: -13.673214
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -2.653
flat angles P-C4'-P energy: 4.289
tors. eta vs tors. theta energy: 15.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 49
Temperature: 3.966667
Total energy: -10.628409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.628409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.628409 (E_RNA)
where:
Base-Base interactions energy: -4.679
where: short stacking energy: -4.679
Base-Backbone interact. energy: 3.259
local terms energy: -9.208363
where:
bonds (distance) C4'-P energy: -5.908
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -7.219
flat angles P-C4'-P energy: -4.912
tors. eta vs tors. theta energy: 16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 49
Temperature: 4.350000
Total energy: 3.193378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 3.193378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 3.193378 (E_RNA)
where:
Base-Base interactions energy: -6.624
where: short stacking energy: -6.286
Base-Backbone interact. energy: 1.226
local terms energy: 8.590725
where:
bonds (distance) C4'-P energy: -0.562
bonds (distance) P-C4' energy: -6.345
flat angles C4'-P-C4' energy: -2.466
flat angles P-C4'-P energy: 6.933
tors. eta vs tors. theta energy: 11.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -377.238289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.238289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.238289 (E_RNA)
where:
Base-Base interactions energy: -253.501
where: short stacking energy: -126.468
Base-Backbone interact. energy: -0.713
local terms energy: -123.024326
where:
bonds (distance) C4'-P energy: -28.093
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -16.618
tors. eta vs tors. theta energy: -31.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 1.283333
Total energy: -208.042523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.042523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.042523 (E_RNA)
where:
Base-Base interactions energy: -131.776
where: short stacking energy: -65.608
Base-Backbone interact. energy: -0.028
local terms energy: -76.238426
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -26.697
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 50
Temperature: 1.666667
Total energy: -113.643360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.643360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.643360 (E_RNA)
where:
Base-Base interactions energy: -68.185
where: short stacking energy: -33.984
Base-Backbone interact. energy: 3.598
local terms energy: -49.056075
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: 6.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 50
Temperature: 2.050000
Total energy: -64.655959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.655959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.655959 (E_RNA)
where:
Base-Base interactions energy: -16.406
where: short stacking energy: -16.234
Base-Backbone interact. energy: 0.711
local terms energy: -48.960696
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -24.454
flat angles C4'-P-C4' energy: -7.412
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: 10.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 50
Temperature: 2.433333
Total energy: -48.989609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.989609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.989609 (E_RNA)
where:
Base-Base interactions energy: -15.302
where: short stacking energy: -15.302
Base-Backbone interact. energy: -0.428
local terms energy: -33.259938
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -9.444
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: 0.262
tors. eta vs tors. theta energy: 7.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 50
Temperature: 2.816667
Total energy: -33.458540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.458540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.458540 (E_RNA)
where:
Base-Base interactions energy: -10.511
where: short stacking energy: -10.511
Base-Backbone interact. energy: -0.191
local terms energy: -22.755788
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -9.271
flat angles C4'-P-C4' energy: -5.234
flat angles P-C4'-P energy: -4.380
tors. eta vs tors. theta energy: 11.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 3.200000
Total energy: -29.236110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.236110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.236110 (E_RNA)
where:
Base-Base interactions energy: -9.288
where: short stacking energy: -8.593
Base-Backbone interact. energy: -0.079
local terms energy: -19.869002
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -5.156
flat angles P-C4'-P energy: -1.771
tors. eta vs tors. theta energy: 13.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 50
Temperature: 3.583333
Total energy: -16.313499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.313499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.313499 (E_RNA)
where:
Base-Base interactions energy: -7.821
where: short stacking energy: -7.245
Base-Backbone interact. energy: -0.722
local terms energy: -7.771111
where:
bonds (distance) C4'-P energy: -1.120
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: 2.683
tors. eta vs tors. theta energy: 18.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 50
Temperature: 3.966667
Total energy: -6.727669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.727669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.727669 (E_RNA)
where:
Base-Base interactions energy: -6.948
where: short stacking energy: -6.192
Base-Backbone interact. energy: 8.105
local terms energy: -7.884519
where:
bonds (distance) C4'-P energy: -8.182
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: 0.031
flat angles P-C4'-P energy: 5.608
tors. eta vs tors. theta energy: 14.834
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: 10
=====================================
Write number: 50
Temperature: 4.350000
Total energy: -2.164451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.164451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.164451 (E_RNA)
where:
Base-Base interactions energy: -0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: 0.800
local terms energy: -2.964715
where:
bonds (distance) C4'-P energy: -1.590
bonds (distance) P-C4' energy: -18.275
flat angles C4'-P-C4' energy: 5.453
flat angles P-C4'-P energy: -0.823
tors. eta vs tors. theta energy: 12.270
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: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -369.182275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.182275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.182275 (E_RNA)
where:
Base-Base interactions energy: -235.064
where: short stacking energy: -110.270
Base-Backbone interact. energy: -0.510
local terms energy: -133.608983
where:
bonds (distance) C4'-P energy: -26.635
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -29.562
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -33.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 1.283333
Total energy: -213.122997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.122997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.122997 (E_RNA)
where:
Base-Base interactions energy: -129.582
where: short stacking energy: -68.202
Base-Backbone interact. energy: 0.675
local terms energy: -84.215664
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -19.447
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -17.659
tors. eta vs tors. theta energy: -11.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 51
Temperature: 1.666667
Total energy: -79.514507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.514507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.514507 (E_RNA)
where:
Base-Base interactions energy: -27.251
where: short stacking energy: -19.763
Base-Backbone interact. energy: -0.237
local terms energy: -52.026997
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -22.351
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: 2.974
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: 3
=====================================
Write number: 51
Temperature: 2.050000
Total energy: -61.625740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.625740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.625740 (E_RNA)
where:
Base-Base interactions energy: -16.059
where: short stacking energy: -14.973
Base-Backbone interact. energy: -0.386
local terms energy: -45.180640
where:
bonds (distance) C4'-P energy: -22.009
bonds (distance) P-C4' energy: -21.586
flat angles C4'-P-C4' energy: -7.681
flat angles P-C4'-P energy: -1.404
tors. eta vs tors. theta energy: 7.500
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: 9
=====================================
Write number: 51
Temperature: 2.433333
Total energy: -46.554694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.554694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.554694 (E_RNA)
where:
Base-Base interactions energy: -10.631
where: short stacking energy: -9.412
Base-Backbone interact. energy: -1.028
local terms energy: -34.895715
where:
bonds (distance) C4'-P energy: -21.619
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: 2.402
tors. eta vs tors. theta energy: 10.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 51
Temperature: 2.816667
Total energy: -32.713131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.713131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.713131 (E_RNA)
where:
Base-Base interactions energy: -2.142
where: short stacking energy: -2.095
Base-Backbone interact. energy: 1.200
local terms energy: -31.771542
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -19.895
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: 0.906
tors. eta vs tors. theta energy: 10.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 51
Temperature: 3.200000
Total energy: -23.318620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.318620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.318620 (E_RNA)
where:
Base-Base interactions energy: -3.960
where: short stacking energy: -2.464
Base-Backbone interact. energy: -0.291
local terms energy: -19.067671
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -5.205
flat angles P-C4'-P energy: 1.804
tors. eta vs tors. theta energy: 18.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 3.583333
Total energy: -15.929492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.929492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.929492 (E_RNA)
where:
Base-Base interactions energy: -4.118
where: short stacking energy: -4.411
Base-Backbone interact. energy: 3.079
local terms energy: -14.890526
where:
bonds (distance) C4'-P energy: -7.598
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -8.118
flat angles P-C4'-P energy: -0.328
tors. eta vs tors. theta energy: 14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 51
Temperature: 3.966667
Total energy: -11.932729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.932729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.932729 (E_RNA)
where:
Base-Base interactions energy: -8.785
where: short stacking energy: -8.010
Base-Backbone interact. energy: 2.165
local terms energy: -5.313047
where:
bonds (distance) C4'-P energy: -8.557
bonds (distance) P-C4' energy: -8.845
flat angles C4'-P-C4' energy: -9.886
flat angles P-C4'-P energy: 8.068
tors. eta vs tors. theta energy: 13.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 4.350000
Total energy: -3.511977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.511977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.511977 (E_RNA)
where:
Base-Base interactions energy: -1.774
where: short stacking energy: -0.462
Base-Backbone interact. energy: 2.366
local terms energy: -4.104697
where:
bonds (distance) C4'-P energy: -7.211
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -7.773
flat angles P-C4'-P energy: 5.463
tors. eta vs tors. theta energy: 20.796
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: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -355.983000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.983000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.983000 (E_RNA)
where:
Base-Base interactions energy: -222.734
where: short stacking energy: -112.166
Base-Backbone interact. energy: -0.009
local terms energy: -133.240128
where:
bonds (distance) C4'-P energy: -26.483
bonds (distance) P-C4' energy: -27.643
flat angles C4'-P-C4' energy: -25.154
flat angles P-C4'-P energy: -20.706
tors. eta vs tors. theta energy: -33.254
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: 2, replica: 2
=====================================
Write number: 52
Temperature: 1.283333
Total energy: -183.275493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.275493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.275493 (E_RNA)
where:
Base-Base interactions energy: -98.189
where: short stacking energy: -61.695
Base-Backbone interact. energy: -0.369
local terms energy: -84.717103
where:
bonds (distance) C4'-P energy: -25.586
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -10.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 52
Temperature: 1.666667
Total energy: -102.441827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.441827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.441827 (E_RNA)
where:
Base-Base interactions energy: -30.708
where: short stacking energy: -28.374
Base-Backbone interact. energy: -0.052
local terms energy: -71.681190
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -20.081
flat angles C4'-P-C4' energy: -23.997
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: 3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 52
Temperature: 2.050000
Total energy: -64.347999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.347999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.347999 (E_RNA)
where:
Base-Base interactions energy: -13.570
where: short stacking energy: -7.697
Base-Backbone interact. energy: 0.554
local terms energy: -51.332011
where:
bonds (distance) C4'-P energy: -25.032
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -9.760
flat angles P-C4'-P energy: -4.110
tors. eta vs tors. theta energy: 6.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 52
Temperature: 2.433333
Total energy: -43.088778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.088778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.088778 (E_RNA)
where:
Base-Base interactions energy: -12.669
where: short stacking energy: -5.598
Base-Backbone interact. energy: 0.743
local terms energy: -31.162105
where:
bonds (distance) C4'-P energy: -16.518
bonds (distance) P-C4' energy: -17.264
flat angles C4'-P-C4' energy: -0.685
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: 13.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 52
Temperature: 2.816667
Total energy: -33.223483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.223483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.223483 (E_RNA)
where:
Base-Base interactions energy: -2.853
where: short stacking energy: 0.000
Base-Backbone interact. energy: 4.727
local terms energy: -35.097044
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -1.993
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: 13.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 52
Temperature: 3.200000
Total energy: -27.828772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.828772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.828772 (E_RNA)
where:
Base-Base interactions energy: -1.424
where: short stacking energy: -1.424
Base-Backbone interact. energy: -0.419
local terms energy: -25.985307
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -8.856
flat angles C4'-P-C4' energy: -7.997
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: 15.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 52
Temperature: 3.583333
Total energy: -15.492557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.492557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.492557 (E_RNA)
where:
Base-Base interactions energy: -5.036
where: short stacking energy: -3.797
Base-Backbone interact. energy: 3.350
local terms energy: -13.806841
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -0.503
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -2.359
tors. eta vs tors. theta energy: 16.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 52
Temperature: 3.966667
Total energy: -6.689389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.689389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.689389 (E_RNA)
where:
Base-Base interactions energy: -9.649
where: short stacking energy: -3.404
Base-Backbone interact. energy: 1.009
local terms energy: 1.951182
where:
bonds (distance) C4'-P energy: 0.747
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: 4.970
flat angles P-C4'-P energy: 2.421
tors. eta vs tors. theta energy: 13.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 52
Temperature: 4.350000
Total energy: 0.389148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.389148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.389148 (E_RNA)
where:
Base-Base interactions energy: -0.562
where: short stacking energy: 0.000
Base-Backbone interact. energy: 2.761
local terms energy: -1.809814
where:
bonds (distance) C4'-P energy: -4.388
bonds (distance) P-C4' energy: -7.984
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -0.816
tors. eta vs tors. theta energy: 21.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -350.381760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.381760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.381760 (E_RNA)
where:
Base-Base interactions energy: -230.972
where: short stacking energy: -117.069
Base-Backbone interact. energy: -0.345
local terms energy: -119.064308
where:
bonds (distance) C4'-P energy: -24.008
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: -35.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 53
Temperature: 1.283333
Total energy: -180.479620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.479620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.479620 (E_RNA)
where:
Base-Base interactions energy: -104.725
where: short stacking energy: -51.799
Base-Backbone interact. energy: -0.376
local terms energy: -75.379378
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -22.732
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.666667
Total energy: -84.197882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.197882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.197882 (E_RNA)
where:
Base-Base interactions energy: -28.386
where: short stacking energy: -24.649
Base-Backbone interact. energy: 1.439
local terms energy: -57.250963
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -9.430
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: 4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 53
Temperature: 2.050000
Total energy: -58.664898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.664898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.664898 (E_RNA)
where:
Base-Base interactions energy: -10.608
where: short stacking energy: -8.257
Base-Backbone interact. energy: 1.546
local terms energy: -49.603011
where:
bonds (distance) C4'-P energy: -26.834
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: 7.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 53
Temperature: 2.433333
Total energy: -51.664759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.664759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.664759 (E_RNA)
where:
Base-Base interactions energy: -6.961
where: short stacking energy: -6.645
Base-Backbone interact. energy: 1.592
local terms energy: -46.295955
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -19.955
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -5.870
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: 6, replica: 8
=====================================
Write number: 53
Temperature: 2.816667
Total energy: -35.978404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.978404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.978404 (E_RNA)
where:
Base-Base interactions energy: -6.222
where: short stacking energy: -5.594
Base-Backbone interact. energy: 0.249
local terms energy: -30.005617
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -10.154
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: 14.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 53
Temperature: 3.200000
Total energy: -20.122808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.122808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.122808 (E_RNA)
where:
Base-Base interactions energy: -6.471
where: short stacking energy: -4.153
Base-Backbone interact. energy: -0.191
local terms energy: -13.460615
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -8.502
flat angles P-C4'-P energy: 1.534
tors. eta vs tors. theta energy: 21.172
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: 10
=====================================
Write number: 53
Temperature: 3.583333
Total energy: -17.644444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.644444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.644444 (E_RNA)
where:
Base-Base interactions energy: -3.495
where: short stacking energy: -4.182
Base-Backbone interact. energy: -0.329
local terms energy: -13.820909
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: 1.071
flat angles P-C4'-P energy: 0.427
tors. eta vs tors. theta energy: 13.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 53
Temperature: 3.966667
Total energy: -11.817825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.817825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.817825 (E_RNA)
where:
Base-Base interactions energy: -0.730
where: short stacking energy: -0.730
Base-Backbone interact. energy: 4.758
local terms energy: -15.845230
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -4.750
flat angles C4'-P-C4' energy: 6.449
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: 8.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 53
Temperature: 4.350000
Total energy: -2.698733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.698733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.698733 (E_RNA)
where:
Base-Base interactions energy: -4.894
where: short stacking energy: -3.196
Base-Backbone interact. energy: 0.240
local terms energy: 1.954910
where:
bonds (distance) C4'-P energy: 0.050
bonds (distance) P-C4' energy: -4.637
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: 5.586
tors. eta vs tors. theta energy: 11.696
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: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -354.626704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.626704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.626704 (E_RNA)
where:
Base-Base interactions energy: -230.987
where: short stacking energy: -118.876
Base-Backbone interact. energy: -0.229
local terms energy: -123.410402
where:
bonds (distance) C4'-P energy: -21.647
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -30.264
flat angles P-C4'-P energy: -19.745
tors. eta vs tors. theta energy: -31.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 54
Temperature: 1.283333
Total energy: -185.573903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.573903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.573903 (E_RNA)
where:
Base-Base interactions energy: -93.039
where: short stacking energy: -48.599
Base-Backbone interact. energy: -0.275
local terms energy: -92.260140
where:
bonds (distance) C4'-P energy: -24.045
bonds (distance) P-C4' energy: -27.455
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -4.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.666667
Total energy: -88.986840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.986840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.986840 (E_RNA)
where:
Base-Base interactions energy: -35.076
where: short stacking energy: -13.638
Base-Backbone interact. energy: -0.764
local terms energy: -53.146675
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -21.717
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: 6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 54
Temperature: 2.050000
Total energy: -60.970467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.970467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.970467 (E_RNA)
where:
Base-Base interactions energy: -16.976
where: short stacking energy: -11.953
Base-Backbone interact. energy: -0.792
local terms energy: -43.201684
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -8.656
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: 8.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 54
Temperature: 2.433333
Total energy: -50.411814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.411814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.411814 (E_RNA)
where:
Base-Base interactions energy: -9.045
where: short stacking energy: -7.730
Base-Backbone interact. energy: 0.086
local terms energy: -41.453561
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -22.758
flat angles C4'-P-C4' energy: -5.984
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: 12.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 54
Temperature: 2.816667
Total energy: -29.862290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.862290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.862290 (E_RNA)
where:
Base-Base interactions energy: -2.366
where: short stacking energy: -1.108
Base-Backbone interact. energy: 0.685
local terms energy: -28.181424
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -25.002
flat angles C4'-P-C4' energy: 3.017
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: 16.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 54
Temperature: 3.200000
Total energy: -19.294838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.294838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.294838 (E_RNA)
where:
Base-Base interactions energy: -9.466
where: short stacking energy: -8.658
Base-Backbone interact. energy: 0.727
local terms energy: -10.555729
where:
bonds (distance) C4'-P energy: -20.870
bonds (distance) P-C4' energy: -10.312
flat angles C4'-P-C4' energy: -0.470
flat angles P-C4'-P energy: 5.651
tors. eta vs tors. theta energy: 15.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 54
Temperature: 3.583333
Total energy: -16.728596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.728596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.728596 (E_RNA)
where:
Base-Base interactions energy: -14.704
where: short stacking energy: -7.627
Base-Backbone interact. energy: 2.103
local terms energy: -4.128093
where:
bonds (distance) C4'-P energy: -8.589
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: 0.074
flat angles P-C4'-P energy: 3.771
tors. eta vs tors. theta energy: 16.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 54
Temperature: 3.966667
Total energy: -7.922498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.922498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.922498 (E_RNA)
where:
Base-Base interactions energy: -0.160
where: short stacking energy: 0.432
Base-Backbone interact. energy: 0.227
local terms energy: -7.989212
where:
bonds (distance) C4'-P energy: -5.985
bonds (distance) P-C4' energy: -11.938
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: 4.613
tors. eta vs tors. theta energy: 15.714
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: 6
=====================================
Write number: 54
Temperature: 4.350000
Total energy: 4.464409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4.464409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 4.464409 (E_RNA)
where:
Base-Base interactions energy: -0.603
where: short stacking energy: -0.194
Base-Backbone interact. energy: 0.591
local terms energy: 4.476244
where:
bonds (distance) C4'-P energy: -7.929
bonds (distance) P-C4' energy: 5.536
flat angles C4'-P-C4' energy: -6.236
flat angles P-C4'-P energy: -1.560
tors. eta vs tors. theta energy: 14.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -363.590169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.590169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.590169 (E_RNA)
where:
Base-Base interactions energy: -233.889
where: short stacking energy: -132.912
Base-Backbone interact. energy: -0.558
local terms energy: -129.143348
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -29.923
flat angles P-C4'-P energy: -19.605
tors. eta vs tors. theta energy: -38.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 55
Temperature: 1.283333
Total energy: -184.512632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.512632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.512632 (E_RNA)
where:
Base-Base interactions energy: -102.763
where: short stacking energy: -57.269
Base-Backbone interact. energy: 1.012
local terms energy: -82.762041
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -10.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 55
Temperature: 1.666667
Total energy: -83.695892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.695892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.695892 (E_RNA)
where:
Base-Base interactions energy: -32.181
where: short stacking energy: -24.422
Base-Backbone interact. energy: -1.003
local terms energy: -50.512446
where:
bonds (distance) C4'-P energy: -26.003
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: 13.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 55
Temperature: 2.050000
Total energy: -71.034556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.034556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.034556 (E_RNA)
where:
Base-Base interactions energy: -16.573
where: short stacking energy: -16.573
Base-Backbone interact. energy: -0.385
local terms energy: -54.076461
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: 10.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 55
Temperature: 2.433333
Total energy: -51.973443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.973443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.973443 (E_RNA)
where:
Base-Base interactions energy: -4.874
where: short stacking energy: -1.331
Base-Backbone interact. energy: -0.837
local terms energy: -46.262687
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: 11.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 55
Temperature: 2.816667
Total energy: -39.071986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.071986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.071986 (E_RNA)
where:
Base-Base interactions energy: -10.060
where: short stacking energy: -9.217
Base-Backbone interact. energy: 0.659
local terms energy: -29.671207
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -20.490
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: -1.669
tors. eta vs tors. theta energy: 10.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 55
Temperature: 3.200000
Total energy: -31.039090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.039090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.039090 (E_RNA)
where:
Base-Base interactions energy: -0.835
where: short stacking energy: 1.464
Base-Backbone interact. energy: -0.694
local terms energy: -29.509948
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -19.067
flat angles C4'-P-C4' energy: -8.306
flat angles P-C4'-P energy: -5.031
tors. eta vs tors. theta energy: 17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 3.583333
Total energy: -18.172062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.172062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.172062 (E_RNA)
where:
Base-Base interactions energy: -4.937
where: short stacking energy: -5.390
Base-Backbone interact. energy: 1.254
local terms energy: -14.488747
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -2.963
flat angles P-C4'-P energy: 1.521
tors. eta vs tors. theta energy: 13.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 55
Temperature: 3.966667
Total energy: -8.473433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.473433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.473433 (E_RNA)
where:
Base-Base interactions energy: -7.948
where: short stacking energy: -4.913
Base-Backbone interact. energy: -0.355
local terms energy: -0.170460
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -9.252
flat angles C4'-P-C4' energy: -1.309
flat angles P-C4'-P energy: 6.898
tors. eta vs tors. theta energy: 15.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 4.350000
Total energy: -3.604798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.604798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.604798 (E_RNA)
where:
Base-Base interactions energy: -2.029
where: short stacking energy: -3.136
Base-Backbone interact. energy: 5.862
local terms energy: -7.437669
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -0.684
flat angles P-C4'-P energy: 0.576
tors. eta vs tors. theta energy: 15.172
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: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -349.033389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.033389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.033389 (E_RNA)
where:
Base-Base interactions energy: -222.349
where: short stacking energy: -114.140
Base-Backbone interact. energy: -0.864
local terms energy: -125.820521
where:
bonds (distance) C4'-P energy: -22.122
bonds (distance) P-C4' energy: -21.586
flat angles C4'-P-C4' energy: -26.949
flat angles P-C4'-P energy: -19.448
tors. eta vs tors. theta energy: -35.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 56
Temperature: 1.283333
Total energy: -196.078716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.078716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.078716 (E_RNA)
where:
Base-Base interactions energy: -114.920
where: short stacking energy: -66.633
Base-Backbone interact. energy: -0.128
local terms energy: -81.030023
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -20.264
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -11.301
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: 5
=====================================
Write number: 56
Temperature: 1.666667
Total energy: -87.332153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.332153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.332153 (E_RNA)
where:
Base-Base interactions energy: -29.401
where: short stacking energy: -26.868
Base-Backbone interact. energy: 0.697
local terms energy: -58.627663
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -24.464
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: 0.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 56
Temperature: 2.050000
Total energy: -72.951696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.951696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.951696 (E_RNA)
where:
Base-Base interactions energy: -19.619
where: short stacking energy: -19.619
Base-Backbone interact. energy: -0.426
local terms energy: -52.907374
where:
bonds (distance) C4'-P energy: -21.723
bonds (distance) P-C4' energy: -9.008
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -2.223
tors. eta vs tors. theta energy: -1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 56
Temperature: 2.433333
Total energy: -43.940292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.940292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.940292 (E_RNA)
where:
Base-Base interactions energy: -10.638
where: short stacking energy: -6.636
Base-Backbone interact. energy: -0.845
local terms energy: -32.457583
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -21.247
flat angles C4'-P-C4' energy: -6.829
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: 16.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 56
Temperature: 2.816667
Total energy: -34.788503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.788503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.788503 (E_RNA)
where:
Base-Base interactions energy: -13.299
where: short stacking energy: -13.799
Base-Backbone interact. energy: -0.208
local terms energy: -21.281221
where:
bonds (distance) C4'-P energy: -4.119
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -6.848
flat angles P-C4'-P energy: -1.819
tors. eta vs tors. theta energy: 7.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 56
Temperature: 3.200000
Total energy: -20.103022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.103022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.103022 (E_RNA)
where:
Base-Base interactions energy: -8.445
where: short stacking energy: -8.445
Base-Backbone interact. energy: 5.881
local terms energy: -17.538937
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -2.732
flat angles P-C4'-P energy: -2.249
tors. eta vs tors. theta energy: 9.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 56
Temperature: 3.583333
Total energy: -20.707051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.707051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.707051 (E_RNA)
where:
Base-Base interactions energy: -10.279
where: short stacking energy: -9.636
Base-Backbone interact. energy: 0.901
local terms energy: -11.329222
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: 4.490
flat angles P-C4'-P energy: -0.670
tors. eta vs tors. theta energy: 12.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 3.966667
Total energy: -10.331832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.331832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.331832 (E_RNA)
where:
Base-Base interactions energy: -3.747
where: short stacking energy: -3.676
Base-Backbone interact. energy: 1.172
local terms energy: -7.756792
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -5.238
flat angles C4'-P-C4' energy: -0.312
flat angles P-C4'-P energy: -3.746
tors. eta vs tors. theta energy: 13.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 4.350000
Total energy: -5.750921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.750921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.750921 (E_RNA)
where:
Base-Base interactions energy: -10.570
where: short stacking energy: -9.561
Base-Backbone interact. energy: -0.695
local terms energy: 5.513946
where:
bonds (distance) C4'-P energy: -2.981
bonds (distance) P-C4' energy: -11.043
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: 20.265
tors. eta vs tors. theta energy: 16.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -349.511419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.511419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.511419 (E_RNA)
where:
Base-Base interactions energy: -210.965
where: short stacking energy: -126.725
Base-Backbone interact. energy: -1.480
local terms energy: -137.066661
where:
bonds (distance) C4'-P energy: -25.342
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -28.343
flat angles P-C4'-P energy: -21.859
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: 2, replica: 2
=====================================
Write number: 57
Temperature: 1.283333
Total energy: -183.737611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.737611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.737611 (E_RNA)
where:
Base-Base interactions energy: -97.780
where: short stacking energy: -54.479
Base-Backbone interact. energy: -0.220
local terms energy: -85.738154
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -18.489
tors. eta vs tors. theta energy: -5.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 57
Temperature: 1.666667
Total energy: -92.556876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.556876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.556876 (E_RNA)
where:
Base-Base interactions energy: -24.122
where: short stacking energy: -24.122
Base-Backbone interact. energy: -0.555
local terms energy: -67.880402
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -18.596
flat angles C4'-P-C4' energy: -24.023
flat angles P-C4'-P energy: -18.076
tors. eta vs tors. theta energy: 2.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 57
Temperature: 2.050000
Total energy: -63.487403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.487403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.487403 (E_RNA)
where:
Base-Base interactions energy: -16.335
where: short stacking energy: -15.574
Base-Backbone interact. energy: -0.415
local terms energy: -46.737103
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: 12.125
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: 3
=====================================
Write number: 57
Temperature: 2.433333
Total energy: -41.753478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.753478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.753478 (E_RNA)
where:
Base-Base interactions energy: -12.233
where: short stacking energy: -10.087
Base-Backbone interact. energy: -0.408
local terms energy: -29.112422
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -7.357
flat angles P-C4'-P energy: -0.777
tors. eta vs tors. theta energy: 14.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 57
Temperature: 2.816667
Total energy: -37.257486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.257486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.257486 (E_RNA)
where:
Base-Base interactions energy: -8.217
where: short stacking energy: -8.217
Base-Backbone interact. energy: -0.202
local terms energy: -28.838588
where:
bonds (distance) C4'-P energy: -10.320
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -7.553
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: 9.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 57
Temperature: 3.200000
Total energy: -30.672624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.672624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.672624 (E_RNA)
where:
Base-Base interactions energy: -5.843
where: short stacking energy: -5.828
Base-Backbone interact. energy: 0.671
local terms energy: -25.500414
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -6.742
flat angles P-C4'-P energy: -2.162
tors. eta vs tors. theta energy: 15.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 57
Temperature: 3.583333
Total energy: -18.060498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.060498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.060498 (E_RNA)
where:
Base-Base interactions energy: -7.582
where: short stacking energy: -7.152
Base-Backbone interact. energy: 3.344
local terms energy: -13.821638
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -6.554
flat angles P-C4'-P energy: -1.328
tors. eta vs tors. theta energy: 15.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 57
Temperature: 3.966667
Total energy: -5.448623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.448623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.448623 (E_RNA)
where:
Base-Base interactions energy: -0.445
where: short stacking energy: 0.844
Base-Backbone interact. energy: -0.634
local terms energy: -4.369705
where:
bonds (distance) C4'-P energy: -8.413
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -6.281
flat angles P-C4'-P energy: 7.906
tors. eta vs tors. theta energy: 18.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 57
Temperature: 4.350000
Total energy: -23.503625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.503625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.503625 (E_RNA)
where:
Base-Base interactions energy: -13.967
where: short stacking energy: -7.171
Base-Backbone interact. energy: -1.391
local terms energy: -8.145569
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -10.979
flat angles C4'-P-C4' energy: -3.643
flat angles P-C4'-P energy: 1.242
tors. eta vs tors. theta energy: 22.065
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: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -355.684768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.684768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.684768 (E_RNA)
where:
Base-Base interactions energy: -221.683
where: short stacking energy: -125.097
Base-Backbone interact. energy: -0.914
local terms energy: -133.088449
where:
bonds (distance) C4'-P energy: -22.858
bonds (distance) P-C4' energy: -27.417
flat angles C4'-P-C4' energy: -25.575
flat angles P-C4'-P energy: -20.771
tors. eta vs tors. theta energy: -36.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 58
Temperature: 1.283333
Total energy: -205.257522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.257522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.257522 (E_RNA)
where:
Base-Base interactions energy: -119.164
where: short stacking energy: -53.919
Base-Backbone interact. energy: 0.107
local terms energy: -86.201048
where:
bonds (distance) C4'-P energy: -25.480
bonds (distance) P-C4' energy: -24.903
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -9.244
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: 5
=====================================
Write number: 58
Temperature: 1.666667
Total energy: -95.889309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.889309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.889309 (E_RNA)
where:
Base-Base interactions energy: -26.291
where: short stacking energy: -22.149
Base-Backbone interact. energy: -0.259
local terms energy: -69.339659
where:
bonds (distance) C4'-P energy: -20.745
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: 4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 58
Temperature: 2.050000
Total energy: -67.157274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.157274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.157274 (E_RNA)
where:
Base-Base interactions energy: -22.396
where: short stacking energy: -22.396
Base-Backbone interact. energy: -0.617
local terms energy: -44.144941
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -1.371
tors. eta vs tors. theta energy: 5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 58
Temperature: 2.433333
Total energy: -50.197676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.197676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.197676 (E_RNA)
where:
Base-Base interactions energy: -14.988
where: short stacking energy: -7.653
Base-Backbone interact. energy: -0.743
local terms energy: -34.466292
where:
bonds (distance) C4'-P energy: -20.937
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: 20.436
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: 8
=====================================
Write number: 58
Temperature: 2.816667
Total energy: -32.572704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.572704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.572704 (E_RNA)
where:
Base-Base interactions energy: -5.953
where: short stacking energy: -5.953
Base-Backbone interact. energy: 2.475
local terms energy: -29.095041
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -7.237
flat angles P-C4'-P energy: -0.616
tors. eta vs tors. theta energy: 10.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 58
Temperature: 3.200000
Total energy: -22.365056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.365056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.365056 (E_RNA)
where:
Base-Base interactions energy: -4.013
where: short stacking energy: -4.129
Base-Backbone interact. energy: 2.688
local terms energy: -21.040503
where:
bonds (distance) C4'-P energy: -6.819
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -6.054
flat angles P-C4'-P energy: 3.513
tors. eta vs tors. theta energy: 11.847
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: 58
Temperature: 3.583333
Total energy: -23.981709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.981709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.981709 (E_RNA)
where:
Base-Base interactions energy: -3.240
where: short stacking energy: -2.972
Base-Backbone interact. energy: -0.851
local terms energy: -19.891093
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: 10.004
tors. eta vs tors. theta energy: 14.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 58
Temperature: 3.966667
Total energy: -7.756354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.756354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.756354 (E_RNA)
where:
Base-Base interactions energy: -3.603
where: short stacking energy: -1.832
Base-Backbone interact. energy: 2.244
local terms energy: -6.398018
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -19.293
flat angles C4'-P-C4' energy: -4.429
flat angles P-C4'-P energy: 12.838
tors. eta vs tors. theta energy: 14.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 58
Temperature: 4.350000
Total energy: -1.896169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.896169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.896169 (E_RNA)
where:
Base-Base interactions energy: 0.136
where: short stacking energy: 1.171
Base-Backbone interact. energy: 0.592
local terms energy: -2.624022
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -6.988
flat angles C4'-P-C4' energy: -0.082
flat angles P-C4'-P energy: 6.624
tors. eta vs tors. theta energy: 14.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -355.376694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.376694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.376694 (E_RNA)
where:
Base-Base interactions energy: -224.733
where: short stacking energy: -125.663
Base-Backbone interact. energy: -0.993
local terms energy: -129.650324
where:
bonds (distance) C4'-P energy: -20.872
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -28.734
flat angles P-C4'-P energy: -22.302
tors. eta vs tors. theta energy: -35.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 1.283333
Total energy: -259.159552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.159552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.159552 (E_RNA)
where:
Base-Base interactions energy: -161.429
where: short stacking energy: -75.419
Base-Backbone interact. energy: 2.287
local terms energy: -100.017497
where:
bonds (distance) C4'-P energy: -26.677
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -22.925
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -16.331
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: 59
Temperature: 1.666667
Total energy: -89.450284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.450284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.450284 (E_RNA)
where:
Base-Base interactions energy: -37.259
where: short stacking energy: -24.931
Base-Backbone interact. energy: 0.863
local terms energy: -53.054768
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -19.756
flat angles P-C4'-P energy: -3.801
tors. eta vs tors. theta energy: 4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 59
Temperature: 2.050000
Total energy: -60.025514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.025514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.025514 (E_RNA)
where:
Base-Base interactions energy: -21.368
where: short stacking energy: -17.274
Base-Backbone interact. energy: -0.734
local terms energy: -37.923353
where:
bonds (distance) C4'-P energy: -18.817
bonds (distance) P-C4' energy: -8.147
flat angles C4'-P-C4' energy: -5.483
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: 5.402
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: 3
=====================================
Write number: 59
Temperature: 2.433333
Total energy: -47.879892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.879892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.879892 (E_RNA)
where:
Base-Base interactions energy: -23.196
where: short stacking energy: -14.590
Base-Backbone interact. energy: 0.072
local terms energy: -24.756235
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: 7.748
tors. eta vs tors. theta energy: 8.521
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: 8
=====================================
Write number: 59
Temperature: 2.816667
Total energy: -45.982755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.982755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.982755 (E_RNA)
where:
Base-Base interactions energy: -18.010
where: short stacking energy: -12.670
Base-Backbone interact. energy: 0.004
local terms energy: -27.976971
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -6.223
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: 10.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 59
Temperature: 3.200000
Total energy: -25.699754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.699754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.699754 (E_RNA)
where:
Base-Base interactions energy: 2.457
where: short stacking energy: 3.286
Base-Backbone interact. energy: -0.595
local terms energy: -27.561553
where:
bonds (distance) C4'-P energy: -5.171
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -8.891
flat angles P-C4'-P energy: -3.330
tors. eta vs tors. theta energy: 15.530
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: 8, replica: 10
=====================================
Write number: 59
Temperature: 3.583333
Total energy: -27.122524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.122524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.122524 (E_RNA)
where:
Base-Base interactions energy: -8.710
where: short stacking energy: -6.889
Base-Backbone interact. energy: -0.232
local terms energy: -18.180032
where:
bonds (distance) C4'-P energy: -9.745
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -1.228
flat angles P-C4'-P energy: -4.680
tors. eta vs tors. theta energy: 10.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 3.966667
Total energy: -12.980451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.980451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.980451 (E_RNA)
where:
Base-Base interactions energy: -0.248
where: short stacking energy: -2.048
Base-Backbone interact. energy: 1.816
local terms energy: -14.547751
where:
bonds (distance) C4'-P energy: -10.309
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: 6.365
flat angles P-C4'-P energy: -3.179
tors. eta vs tors. theta energy: 9.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 59
Temperature: 4.350000
Total energy: -5.231480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.231480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.231480 (E_RNA)
where:
Base-Base interactions energy: -6.452
where: short stacking energy: -2.382
Base-Backbone interact. energy: 0.560
local terms energy: 0.660493
where:
bonds (distance) C4'-P energy: -2.621
bonds (distance) P-C4' energy: -7.716
flat angles C4'-P-C4' energy: -4.495
flat angles P-C4'-P energy: 3.109
tors. eta vs tors. theta energy: 12.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -340.823369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.823369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.823369 (E_RNA)
where:
Base-Base interactions energy: -214.855
where: short stacking energy: -119.979
Base-Backbone interact. energy: -0.633
local terms energy: -125.335344
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -25.126
flat angles C4'-P-C4' energy: -24.477
flat angles P-C4'-P energy: -20.291
tors. eta vs tors. theta energy: -34.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 60
Temperature: 1.283333
Total energy: -222.052319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.052319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.052319 (E_RNA)
where:
Base-Base interactions energy: -137.506
where: short stacking energy: -75.352
Base-Backbone interact. energy: -0.373
local terms energy: -84.173856
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -25.255
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -14.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 60
Temperature: 1.666667
Total energy: -88.691874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.691874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.691874 (E_RNA)
where:
Base-Base interactions energy: -31.739
where: short stacking energy: -29.987
Base-Backbone interact. energy: 0.848
local terms energy: -57.800311
where:
bonds (distance) C4'-P energy: -22.860
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: 5.193
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: 4, replica: 5
=====================================
Write number: 60
Temperature: 2.050000
Total energy: -73.026952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.026952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.026952 (E_RNA)
where:
Base-Base interactions energy: -21.407
where: short stacking energy: -18.187
Base-Backbone interact. energy: -0.006
local terms energy: -51.614020
where:
bonds (distance) C4'-P energy: -9.117
bonds (distance) P-C4' energy: -28.386
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -5.515
tors. eta vs tors. theta energy: 3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 60
Temperature: 2.433333
Total energy: -54.327183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.327183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.327183 (E_RNA)
where:
Base-Base interactions energy: -13.480
where: short stacking energy: -10.404
Base-Backbone interact. energy: -0.560
local terms energy: -40.286746
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -8.902
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: 7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 2.816667
Total energy: -33.377560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.377560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.377560 (E_RNA)
where:
Base-Base interactions energy: -6.201
where: short stacking energy: -6.201
Base-Backbone interact. energy: 0.276
local terms energy: -27.453084
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -6.833
flat angles P-C4'-P energy: -1.571
tors. eta vs tors. theta energy: 10.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 60
Temperature: 3.200000
Total energy: -21.382414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.382414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.382414 (E_RNA)
where:
Base-Base interactions energy: -0.291
where: short stacking energy: -0.291
Base-Backbone interact. energy: 0.709
local terms energy: -21.800450
where:
bonds (distance) C4'-P energy: -9.319
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -1.953
flat angles P-C4'-P energy: -5.336
tors. eta vs tors. theta energy: 12.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 60
Temperature: 3.583333
Total energy: -16.146102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.146102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.146102 (E_RNA)
where:
Base-Base interactions energy: -12.631
where: short stacking energy: -11.489
Base-Backbone interact. energy: -0.192
local terms energy: -3.323701
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -10.916
flat angles C4'-P-C4' energy: 8.626
flat angles P-C4'-P energy: 0.545
tors. eta vs tors. theta energy: 11.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 60
Temperature: 3.966667
Total energy: -14.772523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.772523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.772523 (E_RNA)
where:
Base-Base interactions energy: -1.723
where: short stacking energy: -1.723
Base-Backbone interact. energy: 0.268
local terms energy: -13.317514
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: 10.837
flat angles P-C4'-P energy: -3.464
tors. eta vs tors. theta energy: 11.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 60
Temperature: 4.350000
Total energy: -15.703309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.703309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.703309 (E_RNA)
where:
Base-Base interactions energy: -2.226
where: short stacking energy: -2.482
Base-Backbone interact. energy: 5.134
local terms energy: -18.611788
where:
bonds (distance) C4'-P energy: -6.139
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -10.048
flat angles P-C4'-P energy: -5.186
tors. eta vs tors. theta energy: 17.662
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: 61
Temperature: 0.900000
Total energy: -342.561046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.561046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.561046 (E_RNA)
where:
Base-Base interactions energy: -223.683
where: short stacking energy: -118.453
Base-Backbone interact. energy: -0.163
local terms energy: -118.714445
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -25.022
flat angles C4'-P-C4' energy: -23.744
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -29.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 61
Temperature: 1.283333
Total energy: -225.672458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.672458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.672458 (E_RNA)
where:
Base-Base interactions energy: -131.950
where: short stacking energy: -65.957
Base-Backbone interact. energy: -0.416
local terms energy: -93.306805
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -23.474
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -13.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 61
Temperature: 1.666667
Total energy: -80.047821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.047821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.047821 (E_RNA)
where:
Base-Base interactions energy: -18.539
where: short stacking energy: -18.251
Base-Backbone interact. energy: -0.478
local terms energy: -61.030975
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: 5.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 2.050000
Total energy: -70.486201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.486201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.486201 (E_RNA)
where:
Base-Base interactions energy: -17.563
where: short stacking energy: -17.563
Base-Backbone interact. energy: -0.260
local terms energy: -52.663724
where:
bonds (distance) C4'-P energy: -21.167
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: 6.228
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: 8
=====================================
Write number: 61
Temperature: 2.433333
Total energy: -48.019370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.019370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.019370 (E_RNA)
where:
Base-Base interactions energy: -13.287
where: short stacking energy: -13.287
Base-Backbone interact. energy: 0.031
local terms energy: -34.763565
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -17.984
flat angles C4'-P-C4' energy: -8.717
flat angles P-C4'-P energy: -0.574
tors. eta vs tors. theta energy: 8.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 61
Temperature: 2.816667
Total energy: -37.835237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.835237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.835237 (E_RNA)
where:
Base-Base interactions energy: -19.905
where: short stacking energy: -9.080
Base-Backbone interact. energy: 0.410
local terms energy: -18.339779
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -2.236
flat angles P-C4'-P energy: -0.794
tors. eta vs tors. theta energy: 13.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 61
Temperature: 3.200000
Total energy: -25.041340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.041340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.041340 (E_RNA)
where:
Base-Base interactions energy: -2.880
where: short stacking energy: -2.880
Base-Backbone interact. energy: -1.149
local terms energy: -21.012462
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -5.555
flat angles P-C4'-P energy: -2.960
tors. eta vs tors. theta energy: 12.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 61
Temperature: 3.583333
Total energy: -21.868920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.868920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.868920 (E_RNA)
where:
Base-Base interactions energy: -10.944
where: short stacking energy: -10.944
Base-Backbone interact. energy: 2.330
local terms energy: -13.255548
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -5.655
flat angles C4'-P-C4' energy: -2.674
flat angles P-C4'-P energy: -4.561
tors. eta vs tors. theta energy: 13.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 3.966667
Total energy: -12.011218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.011218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.011218 (E_RNA)
where:
Base-Base interactions energy: -1.471
where: short stacking energy: -0.707
Base-Backbone interact. energy: 7.761
local terms energy: -18.300480
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -0.615
flat angles P-C4'-P energy: -2.358
tors. eta vs tors. theta energy: 12.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 61
Temperature: 4.350000
Total energy: -6.963985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.963985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.963985 (E_RNA)
where:
Base-Base interactions energy: -0.730
where: short stacking energy: -0.730
Base-Backbone interact. energy: 0.339
local terms energy: -6.573346
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -5.533
flat angles C4'-P-C4' energy: -4.212
flat angles P-C4'-P energy: -0.545
tors. eta vs tors. theta energy: 14.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -346.844377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.844377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.844377 (E_RNA)
where:
Base-Base interactions energy: -219.017
where: short stacking energy: -114.094
Base-Backbone interact. energy: -0.729
local terms energy: -127.098536
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -25.527
flat angles C4'-P-C4' energy: -24.208
flat angles P-C4'-P energy: -20.551
tors. eta vs tors. theta energy: -34.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 62
Temperature: 1.283333
Total energy: -222.776534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.776534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.776534 (E_RNA)
where:
Base-Base interactions energy: -136.097
where: short stacking energy: -57.320
Base-Backbone interact. energy: -0.802
local terms energy: -85.878427
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -24.010
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -14.875
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: 62
Temperature: 1.666667
Total energy: -91.093436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.093436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.093436 (E_RNA)
where:
Base-Base interactions energy: -35.420
where: short stacking energy: -28.467
Base-Backbone interact. energy: -0.285
local terms energy: -55.388485
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -19.187
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: 8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 2.050000
Total energy: -65.951354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.951354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.951354 (E_RNA)
where:
Base-Base interactions energy: -18.132
where: short stacking energy: -16.221
Base-Backbone interact. energy: -0.771
local terms energy: -47.047972
where:
bonds (distance) C4'-P energy: -20.658
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: 15.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 62
Temperature: 2.433333
Total energy: -47.071773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.071773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.071773 (E_RNA)
where:
Base-Base interactions energy: -22.639
where: short stacking energy: -8.878
Base-Backbone interact. energy: -0.333
local terms energy: -24.099481
where:
bonds (distance) C4'-P energy: -6.955
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -2.042
tors. eta vs tors. theta energy: 10.653
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: 6, replica: 8
=====================================
Write number: 62
Temperature: 2.816667
Total energy: -30.493099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.493099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.493099 (E_RNA)
where:
Base-Base interactions energy: -10.875
where: short stacking energy: -4.384
Base-Backbone interact. energy: 0.377
local terms energy: -19.994565
where:
bonds (distance) C4'-P energy: -7.642
bonds (distance) P-C4' energy: -20.994
flat angles C4'-P-C4' energy: 4.397
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: 11.771
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: 6
=====================================
Write number: 62
Temperature: 3.200000
Total energy: -26.047317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.047317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.047317 (E_RNA)
where:
Base-Base interactions energy: -10.837
where: short stacking energy: -7.332
Base-Backbone interact. energy: 6.217
local terms energy: -21.427573
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -6.143
flat angles P-C4'-P energy: -3.836
tors. eta vs tors. theta energy: 21.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 62
Temperature: 3.583333
Total energy: -18.275166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.275166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.275166 (E_RNA)
where:
Base-Base interactions energy: -4.056
where: short stacking energy: -4.165
Base-Backbone interact. energy: -0.433
local terms energy: -13.787055
where:
bonds (distance) C4'-P energy: 1.392
bonds (distance) P-C4' energy: -5.062
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: 15.128
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: 7
=====================================
Write number: 62
Temperature: 3.966667
Total energy: -7.929437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.929437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.929437 (E_RNA)
where:
Base-Base interactions energy: -10.682
where: short stacking energy: -9.017
Base-Backbone interact. energy: 2.816
local terms energy: -0.063016
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -7.661
flat angles C4'-P-C4' energy: 0.889
flat angles P-C4'-P energy: 4.462
tors. eta vs tors. theta energy: 14.040
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: 10
=====================================
Write number: 62
Temperature: 4.350000
Total energy: 4.849525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4.849525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 4.849525 (E_RNA)
where:
Base-Base interactions energy: 1.061
where: short stacking energy: -1.086
Base-Backbone interact. energy: 7.423
local terms energy: -3.634103
where:
bonds (distance) C4'-P energy: -7.016
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: 3.534
flat angles P-C4'-P energy: 10.654
tors. eta vs tors. theta energy: 10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -346.401257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.401257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.401257 (E_RNA)
where:
Base-Base interactions energy: -217.386
where: short stacking energy: -122.330
Base-Backbone interact. energy: -0.026
local terms energy: -128.989160
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -27.216
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -30.570
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: 2
=====================================
Write number: 63
Temperature: 1.283333
Total energy: -250.212238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.212238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.212238 (E_RNA)
where:
Base-Base interactions energy: -145.594
where: short stacking energy: -67.938
Base-Backbone interact. energy: -0.211
local terms energy: -104.407522
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -26.106
flat angles C4'-P-C4' energy: -26.323
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 63
Temperature: 1.666667
Total energy: -86.958844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.958844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.958844 (E_RNA)
where:
Base-Base interactions energy: -28.989
where: short stacking energy: -25.252
Base-Backbone interact. energy: -0.617
local terms energy: -57.353184
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: 2.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 63
Temperature: 2.050000
Total energy: -62.981231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.981231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.981231 (E_RNA)
where:
Base-Base interactions energy: -9.895
where: short stacking energy: -9.895
Base-Backbone interact. energy: 2.199
local terms energy: -55.285356
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -4.189
tors. eta vs tors. theta energy: 2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 63
Temperature: 2.433333
Total energy: -45.546646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.546646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.546646 (E_RNA)
where:
Base-Base interactions energy: -8.562
where: short stacking energy: -5.506
Base-Backbone interact. energy: 1.035
local terms energy: -38.019424
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -10.954
flat angles P-C4'-P energy: -5.036
tors. eta vs tors. theta energy: 11.161
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: 8
=====================================
Write number: 63
Temperature: 2.816667
Total energy: -39.477114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.477114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.477114 (E_RNA)
where:
Base-Base interactions energy: -7.978
where: short stacking energy: -3.683
Base-Backbone interact. energy: -0.588
local terms energy: -30.911376
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -8.302
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: 15.534
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: 7, replica: 6
=====================================
Write number: 63
Temperature: 3.200000
Total energy: -24.721054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.721054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.721054 (E_RNA)
where:
Base-Base interactions energy: -5.711
where: short stacking energy: -6.432
Base-Backbone interact. energy: 0.114
local terms energy: -19.124377
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -6.274
flat angles P-C4'-P energy: 2.890
tors. eta vs tors. theta energy: 15.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 3.583333
Total energy: -21.009261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.009261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.009261 (E_RNA)
where:
Base-Base interactions energy: -8.595
where: short stacking energy: -3.063
Base-Backbone interact. energy: 0.853
local terms energy: -13.267016
where:
bonds (distance) C4'-P energy: -4.501
bonds (distance) P-C4' energy: -8.282
flat angles C4'-P-C4' energy: -6.614
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: 16.117
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: 3
=====================================
Write number: 63
Temperature: 3.966667
Total energy: -11.852640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.852640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.852640 (E_RNA)
where:
Base-Base interactions energy: -3.852
where: short stacking energy: -1.648
Base-Backbone interact. energy: -1.044
local terms energy: -6.956452
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: 5.070
flat angles P-C4'-P energy: 2.778
tors. eta vs tors. theta energy: 10.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 63
Temperature: 4.350000
Total energy: 1.315803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.315803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.315803 (E_RNA)
where:
Base-Base interactions energy: -6.494
where: short stacking energy: -5.701
Base-Backbone interact. energy: -0.230
local terms energy: 8.040049
where:
bonds (distance) C4'-P energy: -4.843
bonds (distance) P-C4' energy: -8.341
flat angles C4'-P-C4' energy: 5.471
flat angles P-C4'-P energy: -0.758
tors. eta vs tors. theta energy: 16.511
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: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -335.855413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.855413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.855413 (E_RNA)
where:
Base-Base interactions energy: -213.513
where: short stacking energy: -116.717
Base-Backbone interact. energy: -0.062
local terms energy: -122.281064
where:
bonds (distance) C4'-P energy: -23.592
bonds (distance) P-C4' energy: -27.092
flat angles C4'-P-C4' energy: -25.424
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -32.452
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: 2
=====================================
Write number: 64
Temperature: 1.283333
Total energy: -195.233368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.233368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.233368 (E_RNA)
where:
Base-Base interactions energy: -114.705
where: short stacking energy: -49.379
Base-Backbone interact. energy: -0.881
local terms energy: -79.647180
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: -5.190
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: 9
=====================================
Write number: 64
Temperature: 1.666667
Total energy: -88.177808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.177808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.177808 (E_RNA)
where:
Base-Base interactions energy: -32.859
where: short stacking energy: -25.207
Base-Backbone interact. energy: -0.283
local terms energy: -55.036473
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -5.176
tors. eta vs tors. theta energy: 3.785
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: 4, replica: 4
=====================================
Write number: 64
Temperature: 2.050000
Total energy: -62.850242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.850242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.850242 (E_RNA)
where:
Base-Base interactions energy: -23.326
where: short stacking energy: -20.016
Base-Backbone interact. energy: 0.252
local terms energy: -39.776355
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -24.303
flat angles C4'-P-C4' energy: -9.304
flat angles P-C4'-P energy: -3.437
tors. eta vs tors. theta energy: 13.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 64
Temperature: 2.433333
Total energy: -50.790847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.790847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.790847 (E_RNA)
where:
Base-Base interactions energy: -12.544
where: short stacking energy: -10.470
Base-Backbone interact. energy: -0.656
local terms energy: -37.591434
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -6.068
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: 10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 64
Temperature: 2.816667
Total energy: -39.934817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.934817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.934817 (E_RNA)
where:
Base-Base interactions energy: -7.066
where: short stacking energy: -7.066
Base-Backbone interact. energy: -0.304
local terms energy: -32.564913
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -3.211
tors. eta vs tors. theta energy: 13.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 64
Temperature: 3.200000
Total energy: -27.108539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.108539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.108539 (E_RNA)
where:
Base-Base interactions energy: -8.645
where: short stacking energy: -7.332
Base-Backbone interact. energy: 5.789
local terms energy: -24.252353
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -7.629
flat angles P-C4'-P energy: -4.929
tors. eta vs tors. theta energy: 15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 64
Temperature: 3.583333
Total energy: -10.315472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.315472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.315472 (E_RNA)
where:
Base-Base interactions energy: -3.901
where: short stacking energy: -2.023
Base-Backbone interact. energy: -0.721
local terms energy: -5.693960
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -1.252
flat angles P-C4'-P energy: 3.695
tors. eta vs tors. theta energy: 16.422
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: 10
=====================================
Write number: 64
Temperature: 3.966667
Total energy: -12.870776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.870776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.870776 (E_RNA)
where:
Base-Base interactions energy: -9.292
where: short stacking energy: -3.168
Base-Backbone interact. energy: -0.901
local terms energy: -2.676880
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -2.822
flat angles P-C4'-P energy: 8.515
tors. eta vs tors. theta energy: 17.979
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: 10, replica: 3
=====================================
Write number: 64
Temperature: 4.350000
Total energy: 3.575192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 3.575192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 3.575192 (E_RNA)
where:
Base-Base interactions energy: 0.300
where: short stacking energy: 0.000
Base-Backbone interact. energy: 1.576
local terms energy: 1.699240
where:
bonds (distance) C4'-P energy: -7.986
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: 6.891
flat angles P-C4'-P energy: 3.170
tors. eta vs tors. theta energy: 21.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -347.127987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.127987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.127987 (E_RNA)
where:
Base-Base interactions energy: -223.306
where: short stacking energy: -114.830
Base-Backbone interact. energy: -0.253
local terms energy: -123.568780
where:
bonds (distance) C4'-P energy: -24.795
bonds (distance) P-C4' energy: -23.130
flat angles C4'-P-C4' energy: -27.947
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -32.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 65
Temperature: 1.283333
Total energy: -239.147419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.147419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.147419 (E_RNA)
where:
Base-Base interactions energy: -149.890
where: short stacking energy: -78.057
Base-Backbone interact. energy: 1.214
local terms energy: -90.471074
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -20.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 65
Temperature: 1.666667
Total energy: -94.808520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.808520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.808520 (E_RNA)
where:
Base-Base interactions energy: -44.529
where: short stacking energy: -35.585
Base-Backbone interact. energy: 2.184
local terms energy: -52.462707
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: 4.691
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: 8
=====================================
Write number: 65
Temperature: 2.050000
Total energy: -61.032709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.032709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.032709 (E_RNA)
where:
Base-Base interactions energy: -15.566
where: short stacking energy: -14.319
Base-Backbone interact. energy: 1.774
local terms energy: -47.239977
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: 7.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 65
Temperature: 2.433333
Total energy: -47.635057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.635057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.635057 (E_RNA)
where:
Base-Base interactions energy: -17.739
where: short stacking energy: -13.192
Base-Backbone interact. energy: 4.805
local terms energy: -34.701154
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -1.514
tors. eta vs tors. theta energy: 10.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 65
Temperature: 2.816667
Total energy: -31.862710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.862710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.862710 (E_RNA)
where:
Base-Base interactions energy: -3.731
where: short stacking energy: -0.796
Base-Backbone interact. energy: -0.290
local terms energy: -27.841278
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: 8.990
tors. eta vs tors. theta energy: 16.582
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: 5
=====================================
Write number: 65
Temperature: 3.200000
Total energy: -28.732400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.732400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.732400 (E_RNA)
where:
Base-Base interactions energy: -6.174
where: short stacking energy: -4.964
Base-Backbone interact. energy: 1.167
local terms energy: -23.725151
where:
bonds (distance) C4'-P energy: -8.412
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -1.407
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: 11.386
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: 10
=====================================
Write number: 65
Temperature: 3.583333
Total energy: -23.176618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.176618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.176618 (E_RNA)
where:
Base-Base interactions energy: -15.963
where: short stacking energy: -15.963
Base-Backbone interact. energy: 3.867
local terms energy: -11.080683
where:
bonds (distance) C4'-P energy: -8.199
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -8.036
flat angles P-C4'-P energy: 5.828
tors. eta vs tors. theta energy: 16.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 3.966667
Total energy: -13.545146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.545146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.545146 (E_RNA)
where:
Base-Base interactions energy: -2.358
where: short stacking energy: -1.235
Base-Backbone interact. energy: 1.071
local terms energy: -12.258040
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -3.733
flat angles C4'-P-C4' energy: -5.199
flat angles P-C4'-P energy: 0.131
tors. eta vs tors. theta energy: 11.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 65
Temperature: 4.350000
Total energy: 3.105699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 3.105699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 3.105699 (E_RNA)
where:
Base-Base interactions energy: -6.080
where: short stacking energy: -5.250
Base-Backbone interact. energy: 2.091
local terms energy: 7.094585
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -4.950
flat angles C4'-P-C4' energy: -2.151
flat angles P-C4'-P energy: 4.602
tors. eta vs tors. theta energy: 21.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -335.148300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.148300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.148300 (E_RNA)
where:
Base-Base interactions energy: -206.875
where: short stacking energy: -103.725
Base-Backbone interact. energy: -0.007
local terms energy: -128.266784
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -25.935
flat angles C4'-P-C4' energy: -27.829
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: -33.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 66
Temperature: 1.283333
Total energy: -244.925161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.925161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.925161 (E_RNA)
where:
Base-Base interactions energy: -153.087
where: short stacking energy: -79.014
Base-Backbone interact. energy: 0.445
local terms energy: -92.283404
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -22.388
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -19.193
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: 9
=====================================
Write number: 66
Temperature: 1.666667
Total energy: -85.797046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.797046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.797046 (E_RNA)
where:
Base-Base interactions energy: -28.592
where: short stacking energy: -28.319
Base-Backbone interact. energy: 0.329
local terms energy: -57.533554
where:
bonds (distance) C4'-P energy: -20.340
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -7.411
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: 0.138
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: 4, replica: 8
=====================================
Write number: 66
Temperature: 2.050000
Total energy: -63.781058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.781058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.781058 (E_RNA)
where:
Base-Base interactions energy: -23.049
where: short stacking energy: -19.507
Base-Backbone interact. energy: 1.433
local terms energy: -42.164715
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: 8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 66
Temperature: 2.433333
Total energy: -45.385360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.385360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.385360 (E_RNA)
where:
Base-Base interactions energy: -12.356
where: short stacking energy: -11.734
Base-Backbone interact. energy: -0.126
local terms energy: -32.903538
where:
bonds (distance) C4'-P energy: -20.649
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -5.249
flat angles P-C4'-P energy: -5.167
tors. eta vs tors. theta energy: 9.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 66
Temperature: 2.816667
Total energy: -36.102056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.102056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.102056 (E_RNA)
where:
Base-Base interactions energy: -20.771
where: short stacking energy: -11.326
Base-Backbone interact. energy: 2.515
local terms energy: -17.846023
where:
bonds (distance) C4'-P energy: -10.349
bonds (distance) P-C4' energy: -23.218
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: 6.665
tors. eta vs tors. theta energy: 18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 3.200000
Total energy: -37.677933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.677933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.677933 (E_RNA)
where:
Base-Base interactions energy: -0.291
where: short stacking energy: -0.391
Base-Backbone interact. energy: 8.089
local terms energy: -45.475936
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -4.569
tors. eta vs tors. theta energy: 11.224
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: 5
=====================================
Write number: 66
Temperature: 3.583333
Total energy: -12.597453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.597453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.597453 (E_RNA)
where:
Base-Base interactions energy: -5.495
where: short stacking energy: -1.563
Base-Backbone interact. energy: 1.680
local terms energy: -8.782397
where:
bonds (distance) C4'-P energy: -9.290
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: 11.606
flat angles P-C4'-P energy: -1.467
tors. eta vs tors. theta energy: 8.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 66
Temperature: 3.966667
Total energy: -3.172602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.172602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.172602 (E_RNA)
where:
Base-Base interactions energy: -0.845
where: short stacking energy: 0.799
Base-Backbone interact. energy: 0.164
local terms energy: -2.491499
where:
bonds (distance) C4'-P energy: -9.236
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: 9.804
flat angles P-C4'-P energy: 8.768
tors. eta vs tors. theta energy: 8.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 4.350000
Total energy: -4.935831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.935831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.935831 (E_RNA)
where:
Base-Base interactions energy: -3.125
where: short stacking energy: -2.348
Base-Backbone interact. energy: 8.345
local terms energy: -10.155413
where:
bonds (distance) C4'-P energy: -7.389
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: 8.942
tors. eta vs tors. theta energy: 16.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -332.985503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.985503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.985503 (E_RNA)
where:
Base-Base interactions energy: -217.198
where: short stacking energy: -107.920
Base-Backbone interact. energy: -0.090
local terms energy: -115.696956
where:
bonds (distance) C4'-P energy: -23.534
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -24.017
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -29.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 67
Temperature: 1.283333
Total energy: -219.629076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.629076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.629076 (E_RNA)
where:
Base-Base interactions energy: -126.782
where: short stacking energy: -62.481
Base-Backbone interact. energy: -0.553
local terms energy: -92.293608
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -24.682
flat angles C4'-P-C4' energy: -21.271
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -14.908
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: 9
=====================================
Write number: 67
Temperature: 1.666667
Total energy: -92.801138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.801138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.801138 (E_RNA)
where:
Base-Base interactions energy: -42.747
where: short stacking energy: -34.340
Base-Backbone interact. energy: 6.386
local terms energy: -56.439694
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: 8.151
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: 4
=====================================
Write number: 67
Temperature: 2.050000
Total energy: -70.741291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.741291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.741291 (E_RNA)
where:
Base-Base interactions energy: -25.548
where: short stacking energy: -18.676
Base-Backbone interact. energy: 0.624
local terms energy: -45.817517
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: 8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 67
Temperature: 2.433333
Total energy: -48.960538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.960538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.960538 (E_RNA)
where:
Base-Base interactions energy: -12.169
where: short stacking energy: -3.790
Base-Backbone interact. energy: -0.469
local terms energy: -36.322821
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -22.466
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -2.817
tors. eta vs tors. theta energy: 11.047
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: 6, replica: 10
=====================================
Write number: 67
Temperature: 2.816667
Total energy: -34.609558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.609558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.609558 (E_RNA)
where:
Base-Base interactions energy: -5.842
where: short stacking energy: -1.207
Base-Backbone interact. energy: 1.888
local terms energy: -30.655872
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -25.512
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: 6.461
tors. eta vs tors. theta energy: 15.265
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: 7, replica: 7
=====================================
Write number: 67
Temperature: 3.200000
Total energy: -23.437954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.437954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.437954 (E_RNA)
where:
Base-Base interactions energy: -4.220
where: short stacking energy: -3.689
Base-Backbone interact. energy: 0.427
local terms energy: -19.644853
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -0.246
flat angles P-C4'-P energy: -3.536
tors. eta vs tors. theta energy: 13.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 67
Temperature: 3.583333
Total energy: -19.905245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.905245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.905245 (E_RNA)
where:
Base-Base interactions energy: -2.526
where: short stacking energy: -2.293
Base-Backbone interact. energy: 1.612
local terms energy: -18.990743
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -10.126
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -1.082
tors. eta vs tors. theta energy: 16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 67
Temperature: 3.966667
Total energy: -10.110687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.110687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.110687 (E_RNA)
where:
Base-Base interactions energy: -5.711
where: short stacking energy: 1.493
Base-Backbone interact. energy: 1.490
local terms energy: -5.889058
where:
bonds (distance) C4'-P energy: -8.436
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -2.244
flat angles P-C4'-P energy: 0.747
tors. eta vs tors. theta energy: 14.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 4.350000
Total energy: 3.018523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 3.018523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 3.018523 (E_RNA)
where:
Base-Base interactions energy: -4.040
where: short stacking energy: -2.355
Base-Backbone interact. energy: 4.479
local terms energy: 2.579418
where:
bonds (distance) C4'-P energy: -6.706
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: 12.629
tors. eta vs tors. theta energy: 21.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -353.172393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.172393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.172393 (E_RNA)
where:
Base-Base interactions energy: -226.565
where: short stacking energy: -126.940
Base-Backbone interact. energy: -0.618
local terms energy: -125.989364
where:
bonds (distance) C4'-P energy: -19.385
bonds (distance) P-C4' energy: -26.353
flat angles C4'-P-C4' energy: -25.741
flat angles P-C4'-P energy: -19.373
tors. eta vs tors. theta energy: -35.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 1.283333
Total energy: -235.313301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.313301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.313301 (E_RNA)
where:
Base-Base interactions energy: -148.412
where: short stacking energy: -59.547
Base-Backbone interact. energy: -0.236
local terms energy: -86.665065
where:
bonds (distance) C4'-P energy: -23.125
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 68
Temperature: 1.666667
Total energy: -93.474039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.474039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.474039 (E_RNA)
where:
Base-Base interactions energy: -27.441
where: short stacking energy: -27.441
Base-Backbone interact. energy: -0.171
local terms energy: -65.861944
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 68
Temperature: 2.050000
Total energy: -72.632600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.632600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.632600 (E_RNA)
where:
Base-Base interactions energy: -21.910
where: short stacking energy: -15.375
Base-Backbone interact. energy: -0.997
local terms energy: -49.726064
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -9.239
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: 6.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 68
Temperature: 2.433333
Total energy: -48.946972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.946972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.946972 (E_RNA)
where:
Base-Base interactions energy: -6.789
where: short stacking energy: -6.789
Base-Backbone interact. energy: -0.346
local terms energy: -41.812092
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -8.443
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: 2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 2.816667
Total energy: -33.613186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.613186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.613186 (E_RNA)
where:
Base-Base interactions energy: -2.058
where: short stacking energy: -1.184
Base-Backbone interact. energy: -0.699
local terms energy: -30.856221
where:
bonds (distance) C4'-P energy: -6.528
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: 12.920
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: 7
=====================================
Write number: 68
Temperature: 3.200000
Total energy: -23.639468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.639468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.639468 (E_RNA)
where:
Base-Base interactions energy: -10.677
where: short stacking energy: -9.518
Base-Backbone interact. energy: 3.796
local terms energy: -16.757963
where:
bonds (distance) C4'-P energy: -8.913
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: 3.650
flat angles P-C4'-P energy: -0.120
tors. eta vs tors. theta energy: 8.625
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: 3
=====================================
Write number: 68
Temperature: 3.583333
Total energy: -16.237503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.237503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.237503 (E_RNA)
where:
Base-Base interactions energy: -4.826
where: short stacking energy: -4.826
Base-Backbone interact. energy: 2.224
local terms energy: -13.635588
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -2.399
flat angles P-C4'-P energy: -0.496
tors. eta vs tors. theta energy: 18.694
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: 6
=====================================
Write number: 68
Temperature: 3.966667
Total energy: -10.262426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.262426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.262426 (E_RNA)
where:
Base-Base interactions energy: -8.562
where: short stacking energy: -7.100
Base-Backbone interact. energy: -0.417
local terms energy: -1.283427
where:
bonds (distance) C4'-P energy: -5.499
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: 1.599
flat angles P-C4'-P energy: 4.520
tors. eta vs tors. theta energy: 11.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 68
Temperature: 4.350000
Total energy: -3.717360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.717360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.717360 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: 5.785
local terms energy: -9.502483
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -17.948
flat angles C4'-P-C4' energy: -8.505
flat angles P-C4'-P energy: 5.264
tors. eta vs tors. theta energy: 21.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -356.959099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.959099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.959099 (E_RNA)
where:
Base-Base interactions energy: -229.363
where: short stacking energy: -131.292
Base-Backbone interact. energy: -0.051
local terms energy: -127.545023
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -27.431
flat angles C4'-P-C4' energy: -23.982
flat angles P-C4'-P energy: -21.127
tors. eta vs tors. theta energy: -35.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 1.283333
Total energy: -232.507743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.507743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.507743 (E_RNA)
where:
Base-Base interactions energy: -136.595
where: short stacking energy: -60.915
Base-Backbone interact. energy: -0.045
local terms energy: -95.868040
where:
bonds (distance) C4'-P energy: -21.862
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -24.751
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -13.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 69
Temperature: 1.666667
Total energy: -81.704109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.704109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.704109 (E_RNA)
where:
Base-Base interactions energy: -25.371
where: short stacking energy: -25.119
Base-Backbone interact. energy: 2.795
local terms energy: -59.127196
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -21.151
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -15.988
tors. eta vs tors. theta energy: 3.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 69
Temperature: 2.050000
Total energy: -54.435772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.435772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.435772 (E_RNA)
where:
Base-Base interactions energy: -18.976
where: short stacking energy: -18.976
Base-Backbone interact. energy: -0.196
local terms energy: -35.264285
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -19.241
flat angles C4'-P-C4' energy: -1.841
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: 6.792
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: 4
=====================================
Write number: 69
Temperature: 2.433333
Total energy: -48.475915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.475915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.475915 (E_RNA)
where:
Base-Base interactions energy: -23.014
where: short stacking energy: -15.816
Base-Backbone interact. energy: -0.554
local terms energy: -24.907688
where:
bonds (distance) C4'-P energy: -7.802
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -7.828
flat angles P-C4'-P energy: 1.099
tors. eta vs tors. theta energy: 7.513
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: 6, replica: 7
=====================================
Write number: 69
Temperature: 2.816667
Total energy: -33.252308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.252308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.252308 (E_RNA)
where:
Base-Base interactions energy: -8.671
where: short stacking energy: -8.656
Base-Backbone interact. energy: -1.980
local terms energy: -22.600488
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -3.424
flat angles P-C4'-P energy: 0.839
tors. eta vs tors. theta energy: 16.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 69
Temperature: 3.200000
Total energy: -23.428433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.428433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.428433 (E_RNA)
where:
Base-Base interactions energy: 0.373
where: short stacking energy: 0.097
Base-Backbone interact. energy: -0.561
local terms energy: -23.240579
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -6.669
flat angles C4'-P-C4' energy: -7.020
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: 10.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 69
Temperature: 3.583333
Total energy: -11.572811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.572811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.572811 (E_RNA)
where:
Base-Base interactions energy: -0.549
where: short stacking energy: 0.782
Base-Backbone interact. energy: 0.547
local terms energy: -11.570571
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: 5.422
tors. eta vs tors. theta energy: 18.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 69
Temperature: 3.966667
Total energy: -5.668872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.668872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.668872 (E_RNA)
where:
Base-Base interactions energy: -2.911
where: short stacking energy: -2.631
Base-Backbone interact. energy: -0.355
local terms energy: -2.402333
where:
bonds (distance) C4'-P energy: -3.283
bonds (distance) P-C4' energy: -9.420
flat angles C4'-P-C4' energy: -6.636
flat angles P-C4'-P energy: 3.861
tors. eta vs tors. theta energy: 13.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 69
Temperature: 4.350000
Total energy: -19.394315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.394315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.394315 (E_RNA)
where:
Base-Base interactions energy: -8.960
where: short stacking energy: -8.377
Base-Backbone interact. energy: 4.576
local terms energy: -15.010107
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -5.786
flat angles P-C4'-P energy: 7.844
tors. eta vs tors. theta energy: 8.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -350.139616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.139616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.139616 (E_RNA)
where:
Base-Base interactions energy: -223.102
where: short stacking energy: -125.476
Base-Backbone interact. energy: -0.044
local terms energy: -126.993030
where:
bonds (distance) C4'-P energy: -24.029
bonds (distance) P-C4' energy: -27.514
flat angles C4'-P-C4' energy: -23.663
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: -35.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 70
Temperature: 1.283333
Total energy: -255.439122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.439122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.439122 (E_RNA)
where:
Base-Base interactions energy: -160.827
where: short stacking energy: -82.603
Base-Backbone interact. energy: -0.270
local terms energy: -94.342703
where:
bonds (distance) C4'-P energy: -21.955
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -21.141
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -20.117
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: 70
Temperature: 1.666667
Total energy: -95.781552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.781552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.781552 (E_RNA)
where:
Base-Base interactions energy: -19.733
where: short stacking energy: -20.233
Base-Backbone interact. energy: -0.055
local terms energy: -75.993619
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -22.236
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: 4.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 70
Temperature: 2.050000
Total energy: -57.021731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.021731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.021731 (E_RNA)
where:
Base-Base interactions energy: -17.412
where: short stacking energy: -13.300
Base-Backbone interact. energy: 0.973
local terms energy: -40.583665
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -9.656
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: 6.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 70
Temperature: 2.433333
Total energy: -51.648108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.648108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.648108 (E_RNA)
where:
Base-Base interactions energy: -17.383
where: short stacking energy: -14.431
Base-Backbone interact. energy: -0.596
local terms energy: -33.669040
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -1.242
tors. eta vs tors. theta energy: 12.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 70
Temperature: 2.816667
Total energy: -41.285036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.285036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.285036 (E_RNA)
where:
Base-Base interactions energy: -7.267
where: short stacking energy: -7.267
Base-Backbone interact. energy: -0.888
local terms energy: -33.129816
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -1.321
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: 12.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 70
Temperature: 3.200000
Total energy: -29.098573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.098573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.098573 (E_RNA)
where:
Base-Base interactions energy: -12.260
where: short stacking energy: -4.848
Base-Backbone interact. energy: 10.817
local terms energy: -27.656302
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: 2.076
flat angles P-C4'-P energy: 1.655
tors. eta vs tors. theta energy: 10.131
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: 8
=====================================
Write number: 70
Temperature: 3.583333
Total energy: -18.455652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.455652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.455652 (E_RNA)
where:
Base-Base interactions energy: -5.821
where: short stacking energy: -4.092
Base-Backbone interact. energy: 0.003
local terms energy: -12.637671
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -9.854
flat angles C4'-P-C4' energy: -4.987
flat angles P-C4'-P energy: 3.243
tors. eta vs tors. theta energy: 10.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 70
Temperature: 3.966667
Total energy: -3.272283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.272283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.272283 (E_RNA)
where:
Base-Base interactions energy: -13.081
where: short stacking energy: -7.004
Base-Backbone interact. energy: 2.272
local terms energy: 7.535905
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -7.805
flat angles P-C4'-P energy: 17.857
tors. eta vs tors. theta energy: 18.741
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: 3
=====================================
Write number: 70
Temperature: 4.350000
Total energy: -9.259181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.259181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.259181 (E_RNA)
where:
Base-Base interactions energy: -9.780
where: short stacking energy: -7.776
Base-Backbone interact. energy: -0.673
local terms energy: 1.194111
where:
bonds (distance) C4'-P energy: 0.383
bonds (distance) P-C4' energy: -5.589
flat angles C4'-P-C4' energy: -4.260
flat angles P-C4'-P energy: 2.038
tors. eta vs tors. theta energy: 8.622
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: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -344.748541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.748541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.748541 (E_RNA)
where:
Base-Base interactions energy: -214.912
where: short stacking energy: -109.318
Base-Backbone interact. energy: -0.409
local terms energy: -129.427436
where:
bonds (distance) C4'-P energy: -26.788
bonds (distance) P-C4' energy: -25.435
flat angles C4'-P-C4' energy: -23.678
flat angles P-C4'-P energy: -20.706
tors. eta vs tors. theta energy: -32.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 71
Temperature: 1.283333
Total energy: -253.539866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.539866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.539866 (E_RNA)
where:
Base-Base interactions energy: -159.535
where: short stacking energy: -71.370
Base-Backbone interact. energy: -0.017
local terms energy: -93.987924
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -22.747
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -15.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 71
Temperature: 1.666667
Total energy: -85.991409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.991409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.991409 (E_RNA)
where:
Base-Base interactions energy: -24.656
where: short stacking energy: -23.947
Base-Backbone interact. energy: 2.398
local terms energy: -63.733248
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -23.643
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: 4.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 71
Temperature: 2.050000
Total energy: -64.966853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.966853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.966853 (E_RNA)
where:
Base-Base interactions energy: -22.749
where: short stacking energy: -9.832
Base-Backbone interact. energy: -1.250
local terms energy: -40.968250
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -7.749
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: 14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 71
Temperature: 2.433333
Total energy: -45.044901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.044901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.044901 (E_RNA)
where:
Base-Base interactions energy: -6.972
where: short stacking energy: -6.368
Base-Backbone interact. energy: 0.291
local terms energy: -38.363257
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -24.052
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: 2.264
tors. eta vs tors. theta energy: 10.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 71
Temperature: 2.816667
Total energy: -32.021986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.021986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.021986 (E_RNA)
where:
Base-Base interactions energy: -11.522
where: short stacking energy: -8.224
Base-Backbone interact. energy: -0.128
local terms energy: -20.372176
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -0.879
flat angles P-C4'-P energy: 10.275
tors. eta vs tors. theta energy: 6.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 71
Temperature: 3.200000
Total energy: -17.385301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.385301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.385301 (E_RNA)
where:
Base-Base interactions energy: -8.243
where: short stacking energy: -9.739
Base-Backbone interact. energy: 1.773
local terms energy: -10.915419
where:
bonds (distance) C4'-P energy: -6.463
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: 7.717
tors. eta vs tors. theta energy: 15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 71
Temperature: 3.583333
Total energy: -19.872660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.872660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.872660 (E_RNA)
where:
Base-Base interactions energy: -5.294
where: short stacking energy: -5.326
Base-Backbone interact. energy: -0.888
local terms energy: -13.690374
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -7.098
flat angles P-C4'-P energy: 4.670
tors. eta vs tors. theta energy: 18.723
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: 8
=====================================
Write number: 71
Temperature: 3.966667
Total energy: -10.451577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.451577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.451577 (E_RNA)
where:
Base-Base interactions energy: 6.775
where: short stacking energy: 1.669
Base-Backbone interact. energy: 4.866
local terms energy: -22.092624
where:
bonds (distance) C4'-P energy: -8.599
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -1.702
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: 12.109
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: 3
=====================================
Write number: 71
Temperature: 4.350000
Total energy: -0.667469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.667469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.667469 (E_RNA)
where:
Base-Base interactions energy: 1.177
where: short stacking energy: -0.038
Base-Backbone interact. energy: 1.428
local terms energy: -3.272132
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -5.179
flat angles C4'-P-C4' energy: 4.658
flat angles P-C4'-P energy: -0.030
tors. eta vs tors. theta energy: 17.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -357.172044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.172044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.172044 (E_RNA)
where:
Base-Base interactions energy: -230.319
where: short stacking energy: -109.753
Base-Backbone interact. energy: -0.745
local terms energy: -126.108017
where:
bonds (distance) C4'-P energy: -23.287
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -36.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 72
Temperature: 1.283333
Total energy: -218.961886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.961886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.961886 (E_RNA)
where:
Base-Base interactions energy: -136.687
where: short stacking energy: -65.302
Base-Backbone interact. energy: -0.183
local terms energy: -82.092476
where:
bonds (distance) C4'-P energy: -20.746
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -13.909
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: 9
=====================================
Write number: 72
Temperature: 1.666667
Total energy: -94.599765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.599765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.599765 (E_RNA)
where:
Base-Base interactions energy: -26.009
where: short stacking energy: -16.981
Base-Backbone interact. energy: -0.095
local terms energy: -68.495978
where:
bonds (distance) C4'-P energy: -23.866
bonds (distance) P-C4' energy: -28.066
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -4.496
tors. eta vs tors. theta energy: 8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 72
Temperature: 2.050000
Total energy: -68.076226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.076226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.076226 (E_RNA)
where:
Base-Base interactions energy: -26.533
where: short stacking energy: -21.682
Base-Backbone interact. energy: -0.777
local terms energy: -40.765857
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -24.816
flat angles C4'-P-C4' energy: -9.687
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: 10.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 72
Temperature: 2.433333
Total energy: -54.610437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.610437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.610437 (E_RNA)
where:
Base-Base interactions energy: -20.372
where: short stacking energy: -14.501
Base-Backbone interact. energy: 0.594
local terms energy: -34.832619
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -7.118
flat angles P-C4'-P energy: -1.909
tors. eta vs tors. theta energy: 10.266
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: 6, replica: 6
=====================================
Write number: 72
Temperature: 2.816667
Total energy: -37.020301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.020301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.020301 (E_RNA)
where:
Base-Base interactions energy: -13.121
where: short stacking energy: -10.346
Base-Backbone interact. energy: -0.196
local terms energy: -23.702871
where:
bonds (distance) C4'-P energy: -2.246
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -2.745
tors. eta vs tors. theta energy: 8.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 72
Temperature: 3.200000
Total energy: -24.921736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.921736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.921736 (E_RNA)
where:
Base-Base interactions energy: -14.487
where: short stacking energy: -14.171
Base-Backbone interact. energy: 1.467
local terms energy: -11.901731
where:
bonds (distance) C4'-P energy: -4.656
bonds (distance) P-C4' energy: -20.926
flat angles C4'-P-C4' energy: 4.127
flat angles P-C4'-P energy: -2.359
tors. eta vs tors. theta energy: 11.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 72
Temperature: 3.583333
Total energy: -14.194824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.194824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.194824 (E_RNA)
where:
Base-Base interactions energy: 0.179
where: short stacking energy: 1.889
Base-Backbone interact. energy: 1.401
local terms energy: -15.775537
where:
bonds (distance) C4'-P energy: -4.051
bonds (distance) P-C4' energy: -24.808
flat angles C4'-P-C4' energy: 1.725
flat angles P-C4'-P energy: -2.516
tors. eta vs tors. theta energy: 13.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 72
Temperature: 3.966667
Total energy: -12.604615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.604615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.604615 (E_RNA)
where:
Base-Base interactions energy: -4.236
where: short stacking energy: -3.585
Base-Backbone interact. energy: 0.880
local terms energy: -9.248712
where:
bonds (distance) C4'-P energy: -2.856
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -4.432
flat angles P-C4'-P energy: 2.150
tors. eta vs tors. theta energy: 8.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 72
Temperature: 4.350000
Total energy: -3.895317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.895317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.895317 (E_RNA)
where:
Base-Base interactions energy: -1.842
where: short stacking energy: -1.842
Base-Backbone interact. energy: 2.508
local terms energy: -4.561361
where:
bonds (distance) C4'-P energy: -9.819
bonds (distance) P-C4' energy: -0.236
flat angles C4'-P-C4' energy: -5.114
flat angles P-C4'-P energy: -3.902
tors. eta vs tors. theta energy: 14.509
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: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -355.313786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.313786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.313786 (E_RNA)
where:
Base-Base interactions energy: -235.448
where: short stacking energy: -109.631
Base-Backbone interact. energy: -1.237
local terms energy: -118.628451
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -26.020
flat angles C4'-P-C4' energy: -29.182
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -30.300
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: 2
=====================================
Write number: 73
Temperature: 1.283333
Total energy: -196.279725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.279725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.279725 (E_RNA)
where:
Base-Base interactions energy: -111.482
where: short stacking energy: -54.342
Base-Backbone interact. energy: -0.285
local terms energy: -84.512745
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -24.579
flat angles C4'-P-C4' energy: -25.783
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 73
Temperature: 1.666667
Total energy: -91.334126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.334126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.334126 (E_RNA)
where:
Base-Base interactions energy: -29.609
where: short stacking energy: -21.840
Base-Backbone interact. energy: 4.012
local terms energy: -65.737823
where:
bonds (distance) C4'-P energy: -22.663
bonds (distance) P-C4' energy: -9.531
flat angles C4'-P-C4' energy: -24.201
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: 6.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 73
Temperature: 2.050000
Total energy: -60.569841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.569841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.569841 (E_RNA)
where:
Base-Base interactions energy: -17.346
where: short stacking energy: -15.981
Base-Backbone interact. energy: -0.163
local terms energy: -43.060783
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -22.743
flat angles C4'-P-C4' energy: -2.961
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: 7.881
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: 10
=====================================
Write number: 73
Temperature: 2.433333
Total energy: -52.885810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.885810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.885810 (E_RNA)
where:
Base-Base interactions energy: -18.815
where: short stacking energy: -13.824
Base-Backbone interact. energy: 0.825
local terms energy: -34.896416
where:
bonds (distance) C4'-P energy: -20.083
bonds (distance) P-C4' energy: -8.206
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: 11.060
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: 5
=====================================
Write number: 73
Temperature: 2.816667
Total energy: -36.209868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.209868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.209868 (E_RNA)
where:
Base-Base interactions energy: -16.424
where: short stacking energy: -8.012
Base-Backbone interact. energy: 0.036
local terms energy: -19.822378
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -0.440
flat angles P-C4'-P energy: 1.950
tors. eta vs tors. theta energy: 11.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 73
Temperature: 3.200000
Total energy: -21.824805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.824805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.824805 (E_RNA)
where:
Base-Base interactions energy: -2.765
where: short stacking energy: -2.765
Base-Backbone interact. energy: -0.626
local terms energy: -18.434231
where:
bonds (distance) C4'-P energy: -8.145
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -3.038
tors. eta vs tors. theta energy: 17.278
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: 3
=====================================
Write number: 73
Temperature: 3.583333
Total energy: -18.424117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.424117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.424117 (E_RNA)
where:
Base-Base interactions energy: -6.918
where: short stacking energy: -7.818
Base-Backbone interact. energy: 0.306
local terms energy: -11.812007
where:
bonds (distance) C4'-P energy: -9.525
bonds (distance) P-C4' energy: -8.264
flat angles C4'-P-C4' energy: -7.225
flat angles P-C4'-P energy: 1.691
tors. eta vs tors. theta energy: 11.511
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: 9, replica: 7
=====================================
Write number: 73
Temperature: 3.966667
Total energy: -15.479806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.479806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.479806 (E_RNA)
where:
Base-Base interactions energy: -2.394
where: short stacking energy: -1.220
Base-Backbone interact. energy: -0.230
local terms energy: -12.856341
where:
bonds (distance) C4'-P energy: -9.135
bonds (distance) P-C4' energy: -11.526
flat angles C4'-P-C4' energy: -2.687
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: 15.920
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: 10, replica: 8
=====================================
Write number: 73
Temperature: 4.350000
Total energy: 1.262901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.262901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.262901 (E_RNA)
where:
Base-Base interactions energy: -8.816
where: short stacking energy: 0.079
Base-Backbone interact. energy: 0.014
local terms energy: 10.064348
where:
bonds (distance) C4'-P energy: -0.478
bonds (distance) P-C4' energy: 0.853
flat angles C4'-P-C4' energy: -2.454
flat angles P-C4'-P energy: -2.434
tors. eta vs tors. theta energy: 14.576
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: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -357.398240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.398240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.398240 (E_RNA)
where:
Base-Base interactions energy: -230.877
where: short stacking energy: -114.731
Base-Backbone interact. energy: -0.900
local terms energy: -125.620605
where:
bonds (distance) C4'-P energy: -24.851
bonds (distance) P-C4' energy: -25.943
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -31.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 74
Temperature: 1.283333
Total energy: -201.804650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.804650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.804650 (E_RNA)
where:
Base-Base interactions energy: -112.291
where: short stacking energy: -51.368
Base-Backbone interact. energy: 1.400
local terms energy: -90.913441
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -25.660
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: -14.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 74
Temperature: 1.666667
Total energy: -84.694825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.694825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.694825 (E_RNA)
where:
Base-Base interactions energy: -38.232
where: short stacking energy: -31.311
Base-Backbone interact. energy: 0.448
local terms energy: -46.910900
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -25.433
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: 10.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 74
Temperature: 2.050000
Total energy: -69.855309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.855309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.855309 (E_RNA)
where:
Base-Base interactions energy: -13.563
where: short stacking energy: -12.847
Base-Backbone interact. energy: -0.733
local terms energy: -55.559571
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: 8.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 74
Temperature: 2.433333
Total energy: -48.184137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.184137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.184137 (E_RNA)
where:
Base-Base interactions energy: -18.137
where: short stacking energy: -15.042
Base-Backbone interact. energy: 4.910
local terms energy: -34.957952
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -19.394
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: 1.121
tors. eta vs tors. theta energy: 7.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 74
Temperature: 2.816667
Total energy: -32.299332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.299332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.299332 (E_RNA)
where:
Base-Base interactions energy: -2.450
where: short stacking energy: -2.450
Base-Backbone interact. energy: 1.188
local terms energy: -31.037783
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -18.744
flat angles C4'-P-C4' energy: -2.554
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: 17.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 74
Temperature: 3.200000
Total energy: -24.961511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.961511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.961511 (E_RNA)
where:
Base-Base interactions energy: -10.738
where: short stacking energy: -10.227
Base-Backbone interact. energy: 4.763
local terms energy: -18.986373
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: 0.000
tors. eta vs tors. theta energy: 18.066
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: 8, replica: 6
=====================================
Write number: 74
Temperature: 3.583333
Total energy: -14.189541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.189541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.189541 (E_RNA)
where:
Base-Base interactions energy: -9.082
where: short stacking energy: -6.147
Base-Backbone interact. energy: 2.975
local terms energy: -8.082777
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -7.593
flat angles P-C4'-P energy: 10.415
tors. eta vs tors. theta energy: 21.504
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: 8
=====================================
Write number: 74
Temperature: 3.966667
Total energy: -8.205296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.205296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.205296 (E_RNA)
where:
Base-Base interactions energy: -3.615
where: short stacking energy: -3.352
Base-Backbone interact. energy: 9.424
local terms energy: -14.014433
where:
bonds (distance) C4'-P energy: -6.160
bonds (distance) P-C4' energy: -9.868
flat angles C4'-P-C4' energy: -1.711
flat angles P-C4'-P energy: -4.594
tors. eta vs tors. theta energy: 8.319
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: 7
=====================================
Write number: 74
Temperature: 4.350000
Total energy: 1.011765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.011765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.011765 (E_RNA)
where:
Base-Base interactions energy: -3.752
where: short stacking energy: 3.500
Base-Backbone interact. energy: 3.082
local terms energy: 1.682033
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: 1.042
flat angles C4'-P-C4' energy: -4.390
flat angles P-C4'-P energy: -1.415
tors. eta vs tors. theta energy: 18.238
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: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -372.914244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.914244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.914244 (E_RNA)
where:
Base-Base interactions energy: -237.001
where: short stacking energy: -118.317
Base-Backbone interact. energy: 0.517
local terms energy: -136.430106
where:
bonds (distance) C4'-P energy: -28.009
bonds (distance) P-C4' energy: -28.406
flat angles C4'-P-C4' energy: -29.311
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -32.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 1.283333
Total energy: -193.244316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.244316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.244316 (E_RNA)
where:
Base-Base interactions energy: -106.891
where: short stacking energy: -55.872
Base-Backbone interact. energy: -0.157
local terms energy: -86.196068
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -24.364
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -8.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 75
Temperature: 1.666667
Total energy: -84.423974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.423974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.423974 (E_RNA)
where:
Base-Base interactions energy: -27.145
where: short stacking energy: -25.580
Base-Backbone interact. energy: -0.143
local terms energy: -57.135761
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -1.296
tors. eta vs tors. theta energy: -0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 75
Temperature: 2.050000
Total energy: -62.620491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.620491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.620491 (E_RNA)
where:
Base-Base interactions energy: -16.358
where: short stacking energy: -16.358
Base-Backbone interact. energy: -0.342
local terms energy: -45.920147
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -9.201
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: 10.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 75
Temperature: 2.433333
Total energy: -50.004736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.004736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.004736 (E_RNA)
where:
Base-Base interactions energy: -4.055
where: short stacking energy: -1.423
Base-Backbone interact. energy: -0.218
local terms energy: -45.731824
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -24.199
flat angles C4'-P-C4' energy: -7.180
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: 12.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 75
Temperature: 2.816667
Total energy: -39.347067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.347067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.347067 (E_RNA)
where:
Base-Base interactions energy: -11.914
where: short stacking energy: -9.603
Base-Backbone interact. energy: 0.109
local terms energy: -27.541807
where:
bonds (distance) C4'-P energy: -18.775
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: 6.732
tors. eta vs tors. theta energy: 9.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 75
Temperature: 3.200000
Total energy: -22.077485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.077485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.077485 (E_RNA)
where:
Base-Base interactions energy: -10.540
where: short stacking energy: -10.504
Base-Backbone interact. energy: 1.745
local terms energy: -13.282028
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -3.746
flat angles C4'-P-C4' energy: -5.908
flat angles P-C4'-P energy: 1.104
tors. eta vs tors. theta energy: 14.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 3.583333
Total energy: -12.935237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.935237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.935237 (E_RNA)
where:
Base-Base interactions energy: -8.477
where: short stacking energy: -3.515
Base-Backbone interact. energy: -1.110
local terms energy: -3.347948
where:
bonds (distance) C4'-P energy: -0.010
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -8.899
flat angles P-C4'-P energy: 9.441
tors. eta vs tors. theta energy: 15.638
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: 6
=====================================
Write number: 75
Temperature: 3.966667
Total energy: -5.130737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.130737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.130737 (E_RNA)
where:
Base-Base interactions energy: -0.056
where: short stacking energy: 0.000
Base-Backbone interact. energy: 3.086
local terms energy: -8.160394
where:
bonds (distance) C4'-P energy: -7.927
bonds (distance) P-C4' energy: -1.810
flat angles C4'-P-C4' energy: -4.669
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: 13.119
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: 10, replica: 7
=====================================
Write number: 75
Temperature: 4.350000
Total energy: -14.323114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.323114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.323114 (E_RNA)
where:
Base-Base interactions energy: 2.973
where: short stacking energy: 3.000
Base-Backbone interact. energy: 1.168
local terms energy: -18.464343
where:
bonds (distance) C4'-P energy: -7.238
bonds (distance) P-C4' energy: -21.318
flat angles C4'-P-C4' energy: -5.232
flat angles P-C4'-P energy: -0.785
tors. eta vs tors. theta energy: 16.109
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: 1
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -374.051562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.051562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.051562 (E_RNA)
where:
Base-Base interactions energy: -240.759
where: short stacking energy: -117.649
Base-Backbone interact. energy: -0.001
local terms energy: -133.290915
where:
bonds (distance) C4'-P energy: -25.100
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -27.201
flat angles P-C4'-P energy: -18.600
tors. eta vs tors. theta energy: -38.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 76
Temperature: 1.283333
Total energy: -197.678177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.678177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.678177 (E_RNA)
where:
Base-Base interactions energy: -110.211
where: short stacking energy: -58.443
Base-Backbone interact. energy: -1.504
local terms energy: -85.962787
where:
bonds (distance) C4'-P energy: -22.239
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -24.787
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -8.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 76
Temperature: 1.666667
Total energy: -100.683988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.683988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.683988 (E_RNA)
where:
Base-Base interactions energy: -34.889
where: short stacking energy: -34.222
Base-Backbone interact. energy: -0.202
local terms energy: -65.592697
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -1.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 76
Temperature: 2.050000
Total energy: -65.325823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.325823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.325823 (E_RNA)
where:
Base-Base interactions energy: -18.262
where: short stacking energy: -13.277
Base-Backbone interact. energy: -0.933
local terms energy: -46.130831
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -7.775
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: 9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 76
Temperature: 2.433333
Total energy: -53.820397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.820397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.820397 (E_RNA)
where:
Base-Base interactions energy: -9.443
where: short stacking energy: -10.746
Base-Backbone interact. energy: -1.126
local terms energy: -43.252136
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: 1.459
tors. eta vs tors. theta energy: 10.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 76
Temperature: 2.816667
Total energy: -34.417739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.417739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.417739 (E_RNA)
where:
Base-Base interactions energy: -10.020
where: short stacking energy: -7.879
Base-Backbone interact. energy: 3.260
local terms energy: -27.657810
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -1.549
tors. eta vs tors. theta energy: 15.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 76
Temperature: 3.200000
Total energy: -31.050794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.050794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.050794 (E_RNA)
where:
Base-Base interactions energy: -5.617
where: short stacking energy: 0.000
Base-Backbone interact. energy: 4.737
local terms energy: -30.170858
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -5.816
flat angles P-C4'-P energy: -4.111
tors. eta vs tors. theta energy: 12.627
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: 3
=====================================
Write number: 76
Temperature: 3.583333
Total energy: -14.832840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.832840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.832840 (E_RNA)
where:
Base-Base interactions energy: -3.916
where: short stacking energy: -3.916
Base-Backbone interact. energy: -0.512
local terms energy: -10.405169
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -7.169
flat angles C4'-P-C4' energy: -5.448
flat angles P-C4'-P energy: 2.096
tors. eta vs tors. theta energy: 12.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 76
Temperature: 3.966667
Total energy: -14.111588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.111588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.111588 (E_RNA)
where:
Base-Base interactions energy: -1.377
where: short stacking energy: -2.177
Base-Backbone interact. energy: -0.820
local terms energy: -11.915300
where:
bonds (distance) C4'-P energy: 0.201
bonds (distance) P-C4' energy: -20.196
flat angles C4'-P-C4' energy: -5.726
flat angles P-C4'-P energy: -1.997
tors. eta vs tors. theta energy: 15.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 4.350000
Total energy: -4.142688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.142688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.142688 (E_RNA)
where:
Base-Base interactions energy: -10.336
where: short stacking energy: -9.739
Base-Backbone interact. energy: 7.031
local terms energy: -0.837529
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: 10.374
flat angles P-C4'-P energy: 0.455
tors. eta vs tors. theta energy: 17.451
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: 77
Temperature: 0.900000
Total energy: -359.592065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.592065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.592065 (E_RNA)
where:
Base-Base interactions energy: -243.718
where: short stacking energy: -122.886
Base-Backbone interact. energy: -0.239
local terms energy: -115.635417
where:
bonds (distance) C4'-P energy: -22.350
bonds (distance) P-C4' energy: -19.409
flat angles C4'-P-C4' energy: -25.408
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -35.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 1.283333
Total energy: -191.953559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.953559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.953559 (E_RNA)
where:
Base-Base interactions energy: -103.430
where: short stacking energy: -64.055
Base-Backbone interact. energy: -0.294
local terms energy: -88.228825
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -25.102
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -10.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 77
Temperature: 1.666667
Total energy: -98.677341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.677341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.677341 (E_RNA)
where:
Base-Base interactions energy: -41.595
where: short stacking energy: -35.595
Base-Backbone interact. energy: -0.192
local terms energy: -56.890371
where:
bonds (distance) C4'-P energy: -21.820
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -5.822
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: 6.604
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: 4
=====================================
Write number: 77
Temperature: 2.050000
Total energy: -61.035617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.035617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.035617 (E_RNA)
where:
Base-Base interactions energy: -18.695
where: short stacking energy: -10.575
Base-Backbone interact. energy: -0.438
local terms energy: -41.903293
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -23.969
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -1.494
tors. eta vs tors. theta energy: 6.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 77
Temperature: 2.433333
Total energy: -43.038899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.038899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.038899 (E_RNA)
where:
Base-Base interactions energy: -13.605
where: short stacking energy: -13.605
Base-Backbone interact. energy: 0.172
local terms energy: -29.605137
where:
bonds (distance) C4'-P energy: -7.393
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: 4.301
tors. eta vs tors. theta energy: 7.732
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: 5
=====================================
Write number: 77
Temperature: 2.816667
Total energy: -30.284761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.284761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.284761 (E_RNA)
where:
Base-Base interactions energy: -4.519
where: short stacking energy: -5.061
Base-Backbone interact. energy: -0.477
local terms energy: -25.289112
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -2.477
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: 17.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 77
Temperature: 3.200000
Total energy: -23.673734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.673734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.673734 (E_RNA)
where:
Base-Base interactions energy: -13.092
where: short stacking energy: -10.571
Base-Backbone interact. energy: -0.737
local terms energy: -9.844215
where:
bonds (distance) C4'-P energy: -6.900
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: 1.016
flat angles P-C4'-P energy: -3.087
tors. eta vs tors. theta energy: 15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 77
Temperature: 3.583333
Total energy: -27.699338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.699338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.699338 (E_RNA)
where:
Base-Base interactions energy: -3.083
where: short stacking energy: -3.083
Base-Backbone interact. energy: -0.622
local terms energy: -23.994814
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -0.589
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: 15.584
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: 3
=====================================
Write number: 77
Temperature: 3.966667
Total energy: -6.046544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.046544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.046544 (E_RNA)
where:
Base-Base interactions energy: -5.633
where: short stacking energy: -0.698
Base-Backbone interact. energy: 1.396
local terms energy: -1.809701
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -9.641
flat angles C4'-P-C4' energy: 3.033
flat angles P-C4'-P energy: 1.598
tors. eta vs tors. theta energy: 18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 4.350000
Total energy: -10.528641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.528641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.528641 (E_RNA)
where:
Base-Base interactions energy: 0.880
where: short stacking energy: 0.064
Base-Backbone interact. energy: -1.119
local terms energy: -10.290363
where:
bonds (distance) C4'-P energy: -8.308
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -2.460
flat angles P-C4'-P energy: 2.156
tors. eta vs tors. theta energy: 14.888
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: 1, replica: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -356.154328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.154328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.154328 (E_RNA)
where:
Base-Base interactions energy: -238.251
where: short stacking energy: -114.407
Base-Backbone interact. energy: 0.356
local terms energy: -118.259469
where:
bonds (distance) C4'-P energy: -24.781
bonds (distance) P-C4' energy: -27.240
flat angles C4'-P-C4' energy: -26.213
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -26.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 78
Temperature: 1.283333
Total energy: -198.236572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.236572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.236572 (E_RNA)
where:
Base-Base interactions energy: -120.753
where: short stacking energy: -58.177
Base-Backbone interact. energy: -0.623
local terms energy: -76.860999
where:
bonds (distance) C4'-P energy: -24.134
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -4.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 78
Temperature: 1.666667
Total energy: -92.533357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.533357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.533357 (E_RNA)
where:
Base-Base interactions energy: -35.183
where: short stacking energy: -31.436
Base-Backbone interact. energy: 0.532
local terms energy: -57.882037
where:
bonds (distance) C4'-P energy: -19.472
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: 1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 78
Temperature: 2.050000
Total energy: -64.802807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.802807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.802807 (E_RNA)
where:
Base-Base interactions energy: -15.057
where: short stacking energy: -13.435
Base-Backbone interact. energy: 1.115
local terms energy: -50.860338
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: 7.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 78
Temperature: 2.433333
Total energy: -45.776940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.776940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.776940 (E_RNA)
where:
Base-Base interactions energy: -8.125
where: short stacking energy: -6.954
Base-Backbone interact. energy: 0.769
local terms energy: -38.420071
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -7.339
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: 17.074
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: 6, replica: 10
=====================================
Write number: 78
Temperature: 2.816667
Total energy: -33.713707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.713707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.713707 (E_RNA)
where:
Base-Base interactions energy: -8.842
where: short stacking energy: -5.525
Base-Backbone interact. energy: 0.172
local terms energy: -25.043821
where:
bonds (distance) C4'-P energy: -5.969
bonds (distance) P-C4' energy: -24.351
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: 6.152
tors. eta vs tors. theta energy: 12.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 78
Temperature: 3.200000
Total energy: -26.187381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.187381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.187381 (E_RNA)
where:
Base-Base interactions energy: -15.198
where: short stacking energy: -15.198
Base-Backbone interact. energy: -0.598
local terms energy: -10.391329
where:
bonds (distance) C4'-P energy: -7.774
bonds (distance) P-C4' energy: -8.087
flat angles C4'-P-C4' energy: -5.630
flat angles P-C4'-P energy: -2.392
tors. eta vs tors. theta energy: 13.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 3.583333
Total energy: -8.951285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.951285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.951285 (E_RNA)
where:
Base-Base interactions energy: -11.283
where: short stacking energy: -2.267
Base-Backbone interact. energy: -0.461
local terms energy: 2.793469
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: 5.513
flat angles C4'-P-C4' energy: -5.638
flat angles P-C4'-P energy: 3.610
tors. eta vs tors. theta energy: 15.913
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: 6
=====================================
Write number: 78
Temperature: 3.966667
Total energy: -3.120791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.120791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.120791 (E_RNA)
where:
Base-Base interactions energy: -6.603
where: short stacking energy: -5.072
Base-Backbone interact. energy: 3.611
local terms energy: -0.129019
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -7.318
flat angles C4'-P-C4' energy: 5.529
flat angles P-C4'-P energy: 4.189
tors. eta vs tors. theta energy: 15.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 78
Temperature: 4.350000
Total energy: -2.129174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.129174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.129174 (E_RNA)
where:
Base-Base interactions energy: -7.709
where: short stacking energy: -6.206
Base-Backbone interact. energy: -0.553
local terms energy: 6.132907
where:
bonds (distance) C4'-P energy: -1.302
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: 2.839
flat angles P-C4'-P energy: 2.268
tors. eta vs tors. theta energy: 16.071
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: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -365.122058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.122058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.122058 (E_RNA)
where:
Base-Base interactions energy: -238.264
where: short stacking energy: -116.977
Base-Backbone interact. energy: 0.016
local terms energy: -126.873915
where:
bonds (distance) C4'-P energy: -27.787
bonds (distance) P-C4' energy: -25.304
flat angles C4'-P-C4' energy: -25.749
flat angles P-C4'-P energy: -20.420
tors. eta vs tors. theta energy: -27.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 79
Temperature: 1.283333
Total energy: -233.188244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.188244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.188244 (E_RNA)
where:
Base-Base interactions energy: -142.913
where: short stacking energy: -61.003
Base-Backbone interact. energy: -0.303
local terms energy: -89.972265
where:
bonds (distance) C4'-P energy: -18.680
bonds (distance) P-C4' energy: -16.714
flat angles C4'-P-C4' energy: -24.594
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -16.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 79
Temperature: 1.666667
Total energy: -82.340508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.340508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.340508 (E_RNA)
where:
Base-Base interactions energy: -25.522
where: short stacking energy: -17.111
Base-Backbone interact. energy: 0.881
local terms energy: -57.699660
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -20.475
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: 6.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 79
Temperature: 2.050000
Total energy: -59.255983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.255983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.255983 (E_RNA)
where:
Base-Base interactions energy: -18.974
where: short stacking energy: -14.337
Base-Backbone interact. energy: -0.132
local terms energy: -40.149369
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -5.824
flat angles P-C4'-P energy: -4.517
tors. eta vs tors. theta energy: 9.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 79
Temperature: 2.433333
Total energy: -48.764519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.764519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.764519 (E_RNA)
where:
Base-Base interactions energy: -13.868
where: short stacking energy: -14.107
Base-Backbone interact. energy: -0.936
local terms energy: -33.960953
where:
bonds (distance) C4'-P energy: -5.532
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -2.487
tors. eta vs tors. theta energy: 8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 79
Temperature: 2.816667
Total energy: -40.149120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.149120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.149120 (E_RNA)
where:
Base-Base interactions energy: -14.321
where: short stacking energy: -7.478
Base-Backbone interact. energy: -0.034
local terms energy: -25.794235
where:
bonds (distance) C4'-P energy: -20.679
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -3.935
flat angles P-C4'-P energy: 3.889
tors. eta vs tors. theta energy: 12.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 3.200000
Total energy: -28.154302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.154302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.154302 (E_RNA)
where:
Base-Base interactions energy: 0.751
where: short stacking energy: 1.600
Base-Backbone interact. energy: -0.350
local terms energy: -28.555728
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -4.586
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: 14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 79
Temperature: 3.583333
Total energy: -14.978100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.978100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.978100 (E_RNA)
where:
Base-Base interactions energy: -4.403
where: short stacking energy: -4.403
Base-Backbone interact. energy: 0.781
local terms energy: -11.356305
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: 0.958
tors. eta vs tors. theta energy: 20.327
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: 8
=====================================
Write number: 79
Temperature: 3.966667
Total energy: -16.563372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.563372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.563372 (E_RNA)
where:
Base-Base interactions energy: -1.206
where: short stacking energy: -5.059
Base-Backbone interact. energy: 2.294
local terms energy: -17.652065
where:
bonds (distance) C4'-P energy: -9.662
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: 0.805
flat angles P-C4'-P energy: 3.023
tors. eta vs tors. theta energy: 2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 79
Temperature: 4.350000
Total energy: 1.062951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.062951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.062951 (E_RNA)
where:
Base-Base interactions energy: -9.316
where: short stacking energy: -6.840
Base-Backbone interact. energy: 2.079
local terms energy: 8.299800
where:
bonds (distance) C4'-P energy: -2.749
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: 19.067
tors. eta vs tors. theta energy: 17.932
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: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -363.890499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.890499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.890499 (E_RNA)
where:
Base-Base interactions energy: -231.573
where: short stacking energy: -112.601
Base-Backbone interact. energy: -0.864
local terms energy: -131.453880
where:
bonds (distance) C4'-P energy: -25.605
bonds (distance) P-C4' energy: -26.693
flat angles C4'-P-C4' energy: -25.363
flat angles P-C4'-P energy: -20.607
tors. eta vs tors. theta energy: -33.186
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: 2, replica: 2
=====================================
Write number: 80
Temperature: 1.283333
Total energy: -191.305122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.305122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.305122 (E_RNA)
where:
Base-Base interactions energy: -100.027
where: short stacking energy: -43.534
Base-Backbone interact. energy: -0.360
local terms energy: -90.918558
where:
bonds (distance) C4'-P energy: -24.537
bonds (distance) P-C4' energy: -24.050
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -19.543
tors. eta vs tors. theta energy: -6.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 80
Temperature: 1.666667
Total energy: -83.339673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.339673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.339673 (E_RNA)
where:
Base-Base interactions energy: -24.869
where: short stacking energy: -11.498
Base-Backbone interact. energy: 3.416
local terms energy: -61.886883
where:
bonds (distance) C4'-P energy: -23.777
bonds (distance) P-C4' energy: -22.632
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: 11.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 80
Temperature: 2.050000
Total energy: -68.420385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.420385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.420385 (E_RNA)
where:
Base-Base interactions energy: -22.480
where: short stacking energy: -16.984
Base-Backbone interact. energy: -1.013
local terms energy: -44.926660
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: 1.041
tors. eta vs tors. theta energy: 5.394
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: 5, replica: 4
=====================================
Write number: 80
Temperature: 2.433333
Total energy: -46.538630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.538630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.538630 (E_RNA)
where:
Base-Base interactions energy: -18.775
where: short stacking energy: -18.775
Base-Backbone interact. energy: -0.329
local terms energy: -27.435085
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -18.691
flat angles C4'-P-C4' energy: -7.442
flat angles P-C4'-P energy: -0.914
tors. eta vs tors. theta energy: 10.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 80
Temperature: 2.816667
Total energy: -35.919275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.919275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.919275 (E_RNA)
where:
Base-Base interactions energy: -7.200
where: short stacking energy: -6.831
Base-Backbone interact. energy: 1.377
local terms energy: -30.095981
where:
bonds (distance) C4'-P energy: -8.824
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -7.668
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: 8.138
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: 80
Temperature: 3.200000
Total energy: -22.667728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.667728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.667728 (E_RNA)
where:
Base-Base interactions energy: -0.181
where: short stacking energy: -0.552
Base-Backbone interact. energy: 1.449
local terms energy: -23.935532
where:
bonds (distance) C4'-P energy: -19.777
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -2.244
flat angles P-C4'-P energy: -0.877
tors. eta vs tors. theta energy: 13.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 80
Temperature: 3.583333
Total energy: -14.883933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.883933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.883933 (E_RNA)
where:
Base-Base interactions energy: -12.754
where: short stacking energy: -12.555
Base-Backbone interact. energy: -0.744
local terms energy: -1.386236
where:
bonds (distance) C4'-P energy: -6.619
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: 4.695
flat angles P-C4'-P energy: 5.106
tors. eta vs tors. theta energy: 10.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 80
Temperature: 3.966667
Total energy: -1.254909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.254909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.254909 (E_RNA)
where:
Base-Base interactions energy: -3.675
where: short stacking energy: -3.882
Base-Backbone interact. energy: -0.661
local terms energy: 3.080964
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -1.155
flat angles C4'-P-C4' energy: -0.417
flat angles P-C4'-P energy: 5.127
tors. eta vs tors. theta energy: 14.841
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: 8
=====================================
Write number: 80
Temperature: 4.350000
Total energy: -2.344463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.344463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.344463 (E_RNA)
where:
Base-Base interactions energy: -6.162
where: short stacking energy: -6.047
Base-Backbone interact. energy: 3.119
local terms energy: 0.698434
where:
bonds (distance) C4'-P energy: -7.377
bonds (distance) P-C4' energy: -12.565
flat angles C4'-P-C4' energy: 2.493
flat angles P-C4'-P energy: 6.415
tors. eta vs tors. theta energy: 11.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -368.813919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.813919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.813919 (E_RNA)
where:
Base-Base interactions energy: -236.083
where: short stacking energy: -114.606
Base-Backbone interact. energy: -0.046
local terms energy: -132.685405
where:
bonds (distance) C4'-P energy: -22.081
bonds (distance) P-C4' energy: -27.618
flat angles C4'-P-C4' energy: -26.997
flat angles P-C4'-P energy: -22.900
tors. eta vs tors. theta energy: -33.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 1.283333
Total energy: -184.239355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.239355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.239355 (E_RNA)
where:
Base-Base interactions energy: -98.019
where: short stacking energy: -50.285
Base-Backbone interact. energy: -0.691
local terms energy: -85.529783
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -28.195
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -4.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 81
Temperature: 1.666667
Total energy: -78.820340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.820340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.820340 (E_RNA)
where:
Base-Base interactions energy: -27.780
where: short stacking energy: -27.780
Base-Backbone interact. energy: -1.189
local terms energy: -49.851396
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: 0.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 81
Temperature: 2.050000
Total energy: -60.252183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.252183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.252183 (E_RNA)
where:
Base-Base interactions energy: -18.307
where: short stacking energy: -14.450
Base-Backbone interact. energy: -0.575
local terms energy: -41.370082
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -5.012
tors. eta vs tors. theta energy: 12.479
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: 5
=====================================
Write number: 81
Temperature: 2.433333
Total energy: -47.260440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.260440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.260440 (E_RNA)
where:
Base-Base interactions energy: -9.395
where: short stacking energy: -9.019
Base-Backbone interact. energy: -0.216
local terms energy: -37.649336
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -7.088
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: 12.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 81
Temperature: 2.816667
Total energy: -26.936621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.936621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.936621 (E_RNA)
where:
Base-Base interactions energy: 1.909
where: short stacking energy: -0.591
Base-Backbone interact. energy: 0.630
local terms energy: -29.476320
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -0.853
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: 11.804
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: 7, replica: 7
=====================================
Write number: 81
Temperature: 3.200000
Total energy: -21.083136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.083136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.083136 (E_RNA)
where:
Base-Base interactions energy: -7.296
where: short stacking energy: -2.737
Base-Backbone interact. energy: 1.922
local terms energy: -15.708663
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -3.859
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: 16.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 81
Temperature: 3.583333
Total energy: -21.370323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.370323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.370323 (E_RNA)
where:
Base-Base interactions energy: -4.626
where: short stacking energy: -3.683
Base-Backbone interact. energy: -1.161
local terms energy: -15.582828
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -6.702
flat angles C4'-P-C4' energy: -5.476
flat angles P-C4'-P energy: -4.822
tors. eta vs tors. theta energy: 18.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 81
Temperature: 3.966667
Total energy: -10.117967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.117967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.117967 (E_RNA)
where:
Base-Base interactions energy: -5.704
where: short stacking energy: -4.383
Base-Backbone interact. energy: 2.814
local terms energy: -7.227451
where:
bonds (distance) C4'-P energy: -4.640
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -6.948
flat angles P-C4'-P energy: -3.997
tors. eta vs tors. theta energy: 19.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 4.350000
Total energy: 1.590392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.590392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.590392 (E_RNA)
where:
Base-Base interactions energy: 0.160
where: short stacking energy: 1.683
Base-Backbone interact. energy: 0.010
local terms energy: 1.420405
where:
bonds (distance) C4'-P energy: -8.883
bonds (distance) P-C4' energy: 3.532
flat angles C4'-P-C4' energy: 1.307
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: 13.323
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: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -358.423307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.423307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.423307 (E_RNA)
where:
Base-Base interactions energy: -240.295
where: short stacking energy: -115.748
Base-Backbone interact. energy: -0.062
local terms energy: -118.065724
where:
bonds (distance) C4'-P energy: -22.847
bonds (distance) P-C4' energy: -24.054
flat angles C4'-P-C4' energy: -26.186
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -27.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 82
Temperature: 1.283333
Total energy: -204.287188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.287188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.287188 (E_RNA)
where:
Base-Base interactions energy: -121.233
where: short stacking energy: -61.650
Base-Backbone interact. energy: -0.307
local terms energy: -82.747806
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -22.095
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -11.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 82
Temperature: 1.666667
Total energy: -84.598176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.598176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.598176 (E_RNA)
where:
Base-Base interactions energy: -19.542
where: short stacking energy: -13.422
Base-Backbone interact. energy: -0.198
local terms energy: -64.859029
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -23.191
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: 5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 82
Temperature: 2.050000
Total energy: -63.173473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.173473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.173473 (E_RNA)
where:
Base-Base interactions energy: -14.424
where: short stacking energy: -10.356
Base-Backbone interact. energy: -0.244
local terms energy: -48.506133
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -20.811
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -4.752
tors. eta vs tors. theta energy: 5.717
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: 5
=====================================
Write number: 82
Temperature: 2.433333
Total energy: -48.623228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.623228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.623228 (E_RNA)
where:
Base-Base interactions energy: -3.345
where: short stacking energy: -3.345
Base-Backbone interact. energy: -0.080
local terms energy: -45.198025
where:
bonds (distance) C4'-P energy: -21.739
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -19.940
flat angles P-C4'-P energy: -2.652
tors. eta vs tors. theta energy: 10.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 82
Temperature: 2.816667
Total energy: -38.238696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.238696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.238696 (E_RNA)
where:
Base-Base interactions energy: -2.279
where: short stacking energy: -0.794
Base-Backbone interact. energy: -1.240
local terms energy: -34.719660
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -21.037
flat angles C4'-P-C4' energy: -6.016
flat angles P-C4'-P energy: -0.367
tors. eta vs tors. theta energy: 4.913
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: 3
=====================================
Write number: 82
Temperature: 3.200000
Total energy: -26.229459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.229459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.229459 (E_RNA)
where:
Base-Base interactions energy: -8.797
where: short stacking energy: -3.263
Base-Backbone interact. energy: 4.072
local terms energy: -21.504372
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -10.173
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -0.679
tors. eta vs tors. theta energy: 14.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 82
Temperature: 3.583333
Total energy: -16.486687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.486687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.486687 (E_RNA)
where:
Base-Base interactions energy: -0.460
where: short stacking energy: -0.460
Base-Backbone interact. energy: 2.461
local terms energy: -18.487502
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -6.989
flat angles P-C4'-P energy: -3.588
tors. eta vs tors. theta energy: 14.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 82
Temperature: 3.966667
Total energy: -4.769446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.769446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.769446 (E_RNA)
where:
Base-Base interactions energy: -5.040
where: short stacking energy: -4.472
Base-Backbone interact. energy: 0.987
local terms energy: -0.717346
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: 1.201
flat angles C4'-P-C4' energy: -9.162
flat angles P-C4'-P energy: 0.721
tors. eta vs tors. theta energy: 15.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 82
Temperature: 4.350000
Total energy: -3.753209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.753209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.753209 (E_RNA)
where:
Base-Base interactions energy: -5.424
where: short stacking energy: -4.689
Base-Backbone interact. energy: 0.570
local terms energy: 1.101632
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -4.475
flat angles P-C4'-P energy: 10.754
tors. eta vs tors. theta energy: 20.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -342.294320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.294320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.294320 (E_RNA)
where:
Base-Base interactions energy: -218.240
where: short stacking energy: -114.720
Base-Backbone interact. energy: -1.089
local terms energy: -122.965755
where:
bonds (distance) C4'-P energy: -25.688
bonds (distance) P-C4' energy: -26.611
flat angles C4'-P-C4' energy: -23.041
flat angles P-C4'-P energy: -17.044
tors. eta vs tors. theta energy: -30.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 83
Temperature: 1.283333
Total energy: -200.881548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.881548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.881548 (E_RNA)
where:
Base-Base interactions energy: -121.710
where: short stacking energy: -71.911
Base-Backbone interact. energy: -1.194
local terms energy: -77.977442
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -10.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.666667
Total energy: -87.385839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.385839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.385839 (E_RNA)
where:
Base-Base interactions energy: -22.394
where: short stacking energy: -18.597
Base-Backbone interact. energy: -0.271
local terms energy: -64.721034
where:
bonds (distance) C4'-P energy: -24.574
bonds (distance) P-C4' energy: -19.910
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 83
Temperature: 2.050000
Total energy: -72.124920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.124920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.124920 (E_RNA)
where:
Base-Base interactions energy: -18.859
where: short stacking energy: -18.498
Base-Backbone interact. energy: 1.606
local terms energy: -54.872627
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -21.322
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: 4.261
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: 5
=====================================
Write number: 83
Temperature: 2.433333
Total energy: -57.100224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.100224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.100224 (E_RNA)
where:
Base-Base interactions energy: -10.203
where: short stacking energy: -8.310
Base-Backbone interact. energy: -0.687
local terms energy: -46.210553
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -3.205
tors. eta vs tors. theta energy: 6.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 83
Temperature: 2.816667
Total energy: -40.772606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.772606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.772606 (E_RNA)
where:
Base-Base interactions energy: -2.202
where: short stacking energy: -1.545
Base-Backbone interact. energy: 0.367
local terms energy: -38.937962
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -23.512
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: 19.398
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: 10
=====================================
Write number: 83
Temperature: 3.200000
Total energy: -21.522978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.522978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.522978 (E_RNA)
where:
Base-Base interactions energy: -8.953
where: short stacking energy: -8.953
Base-Backbone interact. energy: 1.433
local terms energy: -14.002637
where:
bonds (distance) C4'-P energy: -4.062
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -6.976
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: 20.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 3.583333
Total energy: -14.342806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.342806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.342806 (E_RNA)
where:
Base-Base interactions energy: -9.803
where: short stacking energy: -6.181
Base-Backbone interact. energy: 2.396
local terms energy: -6.935726
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -2.457
flat angles C4'-P-C4' energy: 1.203
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: 15.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 83
Temperature: 3.966667
Total energy: -9.795339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.795339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.795339 (E_RNA)
where:
Base-Base interactions energy: -6.397
where: short stacking energy: -6.685
Base-Backbone interact. energy: 0.251
local terms energy: -3.649457
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -6.724
flat angles C4'-P-C4' energy: 2.271
flat angles P-C4'-P energy: -1.071
tors. eta vs tors. theta energy: 12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 4.350000
Total energy: -3.475561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.475561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.475561 (E_RNA)
where:
Base-Base interactions energy: -11.780
where: short stacking energy: -4.697
Base-Backbone interact. energy: 0.725
local terms energy: 7.579380
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: 3.411
flat angles P-C4'-P energy: 12.324
tors. eta vs tors. theta energy: 18.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -358.512439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.512439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.512439 (E_RNA)
where:
Base-Base interactions energy: -224.192
where: short stacking energy: -113.045
Base-Backbone interact. energy: -0.298
local terms energy: -134.021981
where:
bonds (distance) C4'-P energy: -27.413
bonds (distance) P-C4' energy: -30.134
flat angles C4'-P-C4' energy: -22.138
flat angles P-C4'-P energy: -18.435
tors. eta vs tors. theta energy: -35.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 1.283333
Total energy: -201.787311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.787311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.787311 (E_RNA)
where:
Base-Base interactions energy: -109.931
where: short stacking energy: -67.361
Base-Backbone interact. energy: -0.188
local terms energy: -91.668524
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -25.958
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -16.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 84
Temperature: 1.666667
Total energy: -94.595146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.595146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.595146 (E_RNA)
where:
Base-Base interactions energy: -43.224
where: short stacking energy: -20.407
Base-Backbone interact. energy: -0.319
local terms energy: -51.051569
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -19.114
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: 6.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 2.050000
Total energy: -61.278118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.278118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.278118 (E_RNA)
where:
Base-Base interactions energy: -9.415
where: short stacking energy: -9.527
Base-Backbone interact. energy: -0.504
local terms energy: -51.359182
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: 9.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 84
Temperature: 2.433333
Total energy: -57.107900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.107900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.107900 (E_RNA)
where:
Base-Base interactions energy: -9.186
where: short stacking energy: -7.653
Base-Backbone interact. energy: 1.871
local terms energy: -49.792717
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: 14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 84
Temperature: 2.816667
Total energy: -33.544906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.544906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.544906 (E_RNA)
where:
Base-Base interactions energy: -16.706
where: short stacking energy: -12.800
Base-Backbone interact. energy: 3.024
local terms energy: -19.863271
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -0.740
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: 13.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 84
Temperature: 3.200000
Total energy: -27.592524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.592524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.592524 (E_RNA)
where:
Base-Base interactions energy: -13.919
where: short stacking energy: -7.573
Base-Backbone interact. energy: -0.087
local terms energy: -13.586472
where:
bonds (distance) C4'-P energy: 0.207
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: 0.066
tors. eta vs tors. theta energy: 12.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 3.583333
Total energy: -11.413038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.413038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.413038 (E_RNA)
where:
Base-Base interactions energy: -4.204
where: short stacking energy: -4.204
Base-Backbone interact. energy: -0.361
local terms energy: -6.847980
where:
bonds (distance) C4'-P energy: -5.100
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: 5.663
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: 11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 3.966667
Total energy: -8.452880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.452880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.452880 (E_RNA)
where:
Base-Base interactions energy: -8.432
where: short stacking energy: -7.863
Base-Backbone interact. energy: 0.072
local terms energy: -0.092537
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -1.460
flat angles P-C4'-P energy: 17.281
tors. eta vs tors. theta energy: 10.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 84
Temperature: 4.350000
Total energy: -8.038648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.038648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.038648 (E_RNA)
where:
Base-Base interactions energy: -3.645
where: short stacking energy: -6.345
Base-Backbone interact. energy: 5.556
local terms energy: -9.949824
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -7.967
flat angles P-C4'-P energy: 4.980
tors. eta vs tors. theta energy: 17.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -350.825095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.825095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.825095 (E_RNA)
where:
Base-Base interactions energy: -224.223
where: short stacking energy: -108.605
Base-Backbone interact. energy: -0.010
local terms energy: -126.592303
where:
bonds (distance) C4'-P energy: -26.209
bonds (distance) P-C4' energy: -26.038
flat angles C4'-P-C4' energy: -26.673
flat angles P-C4'-P energy: -19.174
tors. eta vs tors. theta energy: -28.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 1.283333
Total energy: -206.104704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.104704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.104704 (E_RNA)
where:
Base-Base interactions energy: -110.934
where: short stacking energy: -60.156
Base-Backbone interact. energy: -0.894
local terms energy: -94.277036
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -24.657
flat angles C4'-P-C4' energy: -24.326
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: -7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 85
Temperature: 1.666667
Total energy: -83.207241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.207241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.207241 (E_RNA)
where:
Base-Base interactions energy: -26.533
where: short stacking energy: -25.199
Base-Backbone interact. energy: -0.093
local terms energy: -56.581577
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -10.062
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: 3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 85
Temperature: 2.050000
Total energy: -62.327523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.327523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.327523 (E_RNA)
where:
Base-Base interactions energy: -22.472
where: short stacking energy: -15.564
Base-Backbone interact. energy: 0.078
local terms energy: -39.933889
where:
bonds (distance) C4'-P energy: -22.210
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -6.932
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: 10.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 85
Temperature: 2.433333
Total energy: -42.590101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.590101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.590101 (E_RNA)
where:
Base-Base interactions energy: -10.539
where: short stacking energy: -6.885
Base-Backbone interact. energy: -0.667
local terms energy: -31.383727
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -7.835
flat angles P-C4'-P energy: 3.130
tors. eta vs tors. theta energy: 9.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 85
Temperature: 2.816667
Total energy: -27.708324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.708324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.708324 (E_RNA)
where:
Base-Base interactions energy: -9.116
where: short stacking energy: -8.591
Base-Backbone interact. energy: -1.046
local terms energy: -17.546221
where:
bonds (distance) C4'-P energy: -9.435
bonds (distance) P-C4' energy: -10.997
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: 3.249
tors. eta vs tors. theta energy: 13.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 85
Temperature: 3.200000
Total energy: -25.699878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.699878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.699878 (E_RNA)
where:
Base-Base interactions energy: 0.500
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.942
local terms energy: -25.257425
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -2.742
tors. eta vs tors. theta energy: 16.685
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: 7
=====================================
Write number: 85
Temperature: 3.583333
Total energy: -11.323027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.323027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.323027 (E_RNA)
where:
Base-Base interactions energy: -8.667
where: short stacking energy: -5.907
Base-Backbone interact. energy: -0.692
local terms energy: -1.963811
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -7.380
flat angles C4'-P-C4' energy: 3.355
flat angles P-C4'-P energy: -2.213
tors. eta vs tors. theta energy: 16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 85
Temperature: 3.966667
Total energy: -9.744488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.744488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.744488 (E_RNA)
where:
Base-Base interactions energy: -6.536
where: short stacking energy: -1.860
Base-Backbone interact. energy: 0.437
local terms energy: -3.646163
where:
bonds (distance) C4'-P energy: -19.425
bonds (distance) P-C4' energy: -4.531
flat angles C4'-P-C4' energy: 4.822
flat angles P-C4'-P energy: 1.050
tors. eta vs tors. theta energy: 14.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 85
Temperature: 4.350000
Total energy: -3.153549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.153549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.153549 (E_RNA)
where:
Base-Base interactions energy: -0.606
where: short stacking energy: -0.637
Base-Backbone interact. energy: 0.926
local terms energy: -3.473043
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -4.931
flat angles C4'-P-C4' energy: -7.142
flat angles P-C4'-P energy: 5.317
tors. eta vs tors. theta energy: 17.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -334.949138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.949138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.949138 (E_RNA)
where:
Base-Base interactions energy: -222.223
where: short stacking energy: -117.480
Base-Backbone interact. energy: 0.595
local terms energy: -113.321904
where:
bonds (distance) C4'-P energy: -22.847
bonds (distance) P-C4' energy: -23.938
flat angles C4'-P-C4' energy: -24.667
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -31.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 86
Temperature: 1.283333
Total energy: -211.760141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.760141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.760141 (E_RNA)
where:
Base-Base interactions energy: -121.924
where: short stacking energy: -73.660
Base-Backbone interact. energy: -0.194
local terms energy: -89.642690
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -16.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 86
Temperature: 1.666667
Total energy: -87.160437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.160437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.160437 (E_RNA)
where:
Base-Base interactions energy: -31.614
where: short stacking energy: -23.666
Base-Backbone interact. energy: -0.245
local terms energy: -55.301399
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: 3.732
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: 4, replica: 4
=====================================
Write number: 86
Temperature: 2.050000
Total energy: -74.309332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.309332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.309332 (E_RNA)
where:
Base-Base interactions energy: -40.358
where: short stacking energy: -20.123
Base-Backbone interact. energy: 0.212
local terms energy: -34.162720
where:
bonds (distance) C4'-P energy: -25.055
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: 1.744
flat angles P-C4'-P energy: -0.391
tors. eta vs tors. theta energy: 6.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 86
Temperature: 2.433333
Total energy: -53.039785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.039785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.039785 (E_RNA)
where:
Base-Base interactions energy: -23.130
where: short stacking energy: -21.975
Base-Backbone interact. energy: 2.577
local terms energy: -32.485919
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -9.266
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -1.954
tors. eta vs tors. theta energy: 11.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 2.816667
Total energy: -54.959472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.959472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.959472 (E_RNA)
where:
Base-Base interactions energy: -12.316
where: short stacking energy: -11.089
Base-Backbone interact. energy: -0.434
local terms energy: -42.209756
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: 9.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 86
Temperature: 3.200000
Total energy: -26.456363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.456363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.456363 (E_RNA)
where:
Base-Base interactions energy: -13.353
where: short stacking energy: -11.970
Base-Backbone interact. energy: 3.729
local terms energy: -16.832621
where:
bonds (distance) C4'-P energy: -5.149
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: 7.396
tors. eta vs tors. theta energy: 14.931
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: 8
=====================================
Write number: 86
Temperature: 3.583333
Total energy: -13.532806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.532806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.532806 (E_RNA)
where:
Base-Base interactions energy: -7.731
where: short stacking energy: -1.144
Base-Backbone interact. energy: 2.315
local terms energy: -8.116139
where:
bonds (distance) C4'-P energy: -6.606
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: 8.363
tors. eta vs tors. theta energy: 14.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 86
Temperature: 3.966667
Total energy: -10.073901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.073901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.073901 (E_RNA)
where:
Base-Base interactions energy: -9.295
where: short stacking energy: -4.722
Base-Backbone interact. energy: -1.199
local terms energy: 0.420049
where:
bonds (distance) C4'-P energy: 0.117
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -1.716
flat angles P-C4'-P energy: 2.936
tors. eta vs tors. theta energy: 15.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 4.350000
Total energy: -0.235720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.235720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.235720 (E_RNA)
where:
Base-Base interactions energy: -0.443
where: short stacking energy: 0.900
Base-Backbone interact. energy: -0.367
local terms energy: 0.574682
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: 7.489
flat angles P-C4'-P energy: 4.960
tors. eta vs tors. theta energy: 13.421
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: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -333.508578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.508578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.508578 (E_RNA)
where:
Base-Base interactions energy: -210.413
where: short stacking energy: -93.328
Base-Backbone interact. energy: -0.440
local terms energy: -122.656203
where:
bonds (distance) C4'-P energy: -24.704
bonds (distance) P-C4' energy: -27.350
flat angles C4'-P-C4' energy: -27.183
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -26.698
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: 2
=====================================
Write number: 87
Temperature: 1.283333
Total energy: -188.520771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.520771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.520771 (E_RNA)
where:
Base-Base interactions energy: -101.456
where: short stacking energy: -50.207
Base-Backbone interact. energy: 1.731
local terms energy: -88.795712
where:
bonds (distance) C4'-P energy: -24.300
bonds (distance) P-C4' energy: -25.231
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -6.271
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: 9
=====================================
Write number: 87
Temperature: 1.666667
Total energy: -91.923144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.923144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.923144 (E_RNA)
where:
Base-Base interactions energy: -36.211
where: short stacking energy: -15.824
Base-Backbone interact. energy: -0.300
local terms energy: -55.412116
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: 6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 87
Temperature: 2.050000
Total energy: -61.147687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.147687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.147687 (E_RNA)
where:
Base-Base interactions energy: -15.735
where: short stacking energy: -15.760
Base-Backbone interact. energy: -0.515
local terms energy: -44.898204
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -24.859
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: 14.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 87
Temperature: 2.433333
Total energy: -45.146517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.146517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.146517 (E_RNA)
where:
Base-Base interactions energy: -11.565
where: short stacking energy: -4.258
Base-Backbone interact. energy: -0.637
local terms energy: -32.944926
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -0.062
tors. eta vs tors. theta energy: 12.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 87
Temperature: 2.816667
Total energy: -36.528987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.528987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.528987 (E_RNA)
where:
Base-Base interactions energy: -11.941
where: short stacking energy: -11.558
Base-Backbone interact. energy: -0.253
local terms energy: -24.335255
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: 4.533
tors. eta vs tors. theta energy: 10.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 87
Temperature: 3.200000
Total energy: -21.560373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.560373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.560373 (E_RNA)
where:
Base-Base interactions energy: -3.667
where: short stacking energy: 0.746
Base-Backbone interact. energy: 0.818
local terms energy: -18.711575
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: 5.967
flat angles P-C4'-P energy: -0.977
tors. eta vs tors. theta energy: 10.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 87
Temperature: 3.583333
Total energy: -19.012102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.012102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.012102 (E_RNA)
where:
Base-Base interactions energy: -6.354
where: short stacking energy: -8.354
Base-Backbone interact. energy: 1.410
local terms energy: -14.067894
where:
bonds (distance) C4'-P energy: -7.995
bonds (distance) P-C4' energy: -8.482
flat angles C4'-P-C4' energy: -8.045
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: 18.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 87
Temperature: 3.966667
Total energy: -15.045787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.045787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.045787 (E_RNA)
where:
Base-Base interactions energy: -3.501
where: short stacking energy: -3.134
Base-Backbone interact. energy: -0.761
local terms energy: -10.782911
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -8.887
flat angles C4'-P-C4' energy: -1.911
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: 18.578
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: 6
=====================================
Write number: 87
Temperature: 4.350000
Total energy: 1.884039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.884039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.884039 (E_RNA)
where:
Base-Base interactions energy: -3.130
where: short stacking energy: -5.730
Base-Backbone interact. energy: 1.951
local terms energy: 3.062833
where:
bonds (distance) C4'-P energy: -7.235
bonds (distance) P-C4' energy: -6.207
flat angles C4'-P-C4' energy: 0.802
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: 22.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -351.230079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.230079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.230079 (E_RNA)
where:
Base-Base interactions energy: -227.863
where: short stacking energy: -116.545
Base-Backbone interact. energy: -0.834
local terms energy: -122.532704
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -26.697
flat angles C4'-P-C4' energy: -25.086
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -31.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 1.283333
Total energy: -192.552310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.552310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.552310 (E_RNA)
where:
Base-Base interactions energy: -107.762
where: short stacking energy: -51.642
Base-Backbone interact. energy: 1.135
local terms energy: -85.925942
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -18.746
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 88
Temperature: 1.666667
Total energy: -84.477804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.477804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.477804 (E_RNA)
where:
Base-Base interactions energy: -25.521
where: short stacking energy: -25.391
Base-Backbone interact. energy: 3.086
local terms energy: -62.042133
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: 7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 88
Temperature: 2.050000
Total energy: -60.939688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.939688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.939688 (E_RNA)
where:
Base-Base interactions energy: -21.597
where: short stacking energy: -20.591
Base-Backbone interact. energy: -0.802
local terms energy: -38.540606
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -8.401
flat angles P-C4'-P energy: -4.457
tors. eta vs tors. theta energy: 8.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 88
Temperature: 2.433333
Total energy: -44.664419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.664419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.664419 (E_RNA)
where:
Base-Base interactions energy: -23.341
where: short stacking energy: -14.832
Base-Backbone interact. energy: -0.201
local terms energy: -21.122246
where:
bonds (distance) C4'-P energy: -8.134
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -2.149
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: 9.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 88
Temperature: 2.816667
Total energy: -36.500617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.500617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.500617 (E_RNA)
where:
Base-Base interactions energy: -16.718
where: short stacking energy: -14.522
Base-Backbone interact. energy: 1.051
local terms energy: -20.833434
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -8.675
flat angles C4'-P-C4' energy: -9.259
flat angles P-C4'-P energy: 1.788
tors. eta vs tors. theta energy: 11.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 88
Temperature: 3.200000
Total energy: -28.231094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.231094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.231094 (E_RNA)
where:
Base-Base interactions energy: -1.896
where: short stacking energy: -1.479
Base-Backbone interact. energy: 1.166
local terms energy: -27.501330
where:
bonds (distance) C4'-P energy: -20.285
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -6.926
flat angles P-C4'-P energy: -4.293
tors. eta vs tors. theta energy: 20.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 88
Temperature: 3.583333
Total energy: -16.320573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.320573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.320573 (E_RNA)
where:
Base-Base interactions energy: -6.317
where: short stacking energy: -3.655
Base-Backbone interact. energy: 0.110
local terms energy: -10.113733
where:
bonds (distance) C4'-P energy: -9.004
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: 4.363
flat angles P-C4'-P energy: -1.771
tors. eta vs tors. theta energy: 11.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 88
Temperature: 3.966667
Total energy: -9.085757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.085757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.085757 (E_RNA)
where:
Base-Base interactions energy: -6.232
where: short stacking energy: -6.232
Base-Backbone interact. energy: 1.825
local terms energy: -4.679138
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -9.698
flat angles C4'-P-C4' energy: 6.759
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: 15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 88
Temperature: 4.350000
Total energy: 1.444968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.444968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.444968 (E_RNA)
where:
Base-Base interactions energy: -9.844
where: short stacking energy: -3.937
Base-Backbone interact. energy: 0.454
local terms energy: 10.834848
where:
bonds (distance) C4'-P energy: -9.160
bonds (distance) P-C4' energy: -3.333
flat angles C4'-P-C4' energy: 8.898
flat angles P-C4'-P energy: -0.285
tors. eta vs tors. theta energy: 14.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -357.719522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.719522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.719522 (E_RNA)
where:
Base-Base interactions energy: -224.874
where: short stacking energy: -105.631
Base-Backbone interact. energy: -0.740
local terms energy: -132.105502
where:
bonds (distance) C4'-P energy: -26.810
bonds (distance) P-C4' energy: -27.064
flat angles C4'-P-C4' energy: -26.859
flat angles P-C4'-P energy: -22.337
tors. eta vs tors. theta energy: -29.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 89
Temperature: 1.283333
Total energy: -217.606079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.606079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.606079 (E_RNA)
where:
Base-Base interactions energy: -125.156
where: short stacking energy: -74.705
Base-Backbone interact. energy: -0.899
local terms energy: -91.550272
where:
bonds (distance) C4'-P energy: -22.368
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -20.472
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -14.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 89
Temperature: 1.666667
Total energy: -86.368478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.368478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.368478 (E_RNA)
where:
Base-Base interactions energy: -21.967
where: short stacking energy: -21.925
Base-Backbone interact. energy: 1.036
local terms energy: -65.437863
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -21.217
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: 4.556
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: 89
Temperature: 2.050000
Total energy: -59.109701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.109701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.109701 (E_RNA)
where:
Base-Base interactions energy: -7.514
where: short stacking energy: -7.303
Base-Backbone interact. energy: 2.258
local terms energy: -53.853130
where:
bonds (distance) C4'-P energy: -9.034
bonds (distance) P-C4' energy: -25.478
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: 11.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 89
Temperature: 2.433333
Total energy: -40.332187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.332187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.332187 (E_RNA)
where:
Base-Base interactions energy: -5.508
where: short stacking energy: -5.508
Base-Backbone interact. energy: 2.472
local terms energy: -37.296445
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -10.140
flat angles C4'-P-C4' energy: -19.549
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: 14.030
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: 10
=====================================
Write number: 89
Temperature: 2.816667
Total energy: -30.909237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.909237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.909237 (E_RNA)
where:
Base-Base interactions energy: -8.394
where: short stacking energy: -7.024
Base-Backbone interact. energy: 0.158
local terms energy: -22.672393
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -4.974
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: 12.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 89
Temperature: 3.200000
Total energy: -21.470030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.470030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.470030 (E_RNA)
where:
Base-Base interactions energy: 0.400
where: short stacking energy: 0.400
Base-Backbone interact. energy: 2.734
local terms energy: -24.604081
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: 1.011
tors. eta vs tors. theta energy: 17.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 89
Temperature: 3.583333
Total energy: -17.773637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.773637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.773637 (E_RNA)
where:
Base-Base interactions energy: -3.336
where: short stacking energy: -1.250
Base-Backbone interact. energy: -0.359
local terms energy: -14.078874
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -23.130
flat angles C4'-P-C4' energy: -2.489
flat angles P-C4'-P energy: 3.744
tors. eta vs tors. theta energy: 19.627
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: 3
=====================================
Write number: 89
Temperature: 3.966667
Total energy: -2.061829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.061829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.061829 (E_RNA)
where:
Base-Base interactions energy: -6.961
where: short stacking energy: -1.570
Base-Backbone interact. energy: 4.063
local terms energy: 0.835877
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -9.611
flat angles C4'-P-C4' energy: 6.368
flat angles P-C4'-P energy: 2.638
tors. eta vs tors. theta energy: 17.680
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: 8
=====================================
Write number: 89
Temperature: 4.350000
Total energy: -1.640148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.640148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.640148 (E_RNA)
where:
Base-Base interactions energy: 0.091
where: short stacking energy: -2.009
Base-Backbone interact. energy: -0.612
local terms energy: -1.118975
where:
bonds (distance) C4'-P energy: -7.380
bonds (distance) P-C4' energy: -9.818
flat angles C4'-P-C4' energy: -7.537
flat angles P-C4'-P energy: 10.836
tors. eta vs tors. theta energy: 12.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -381.576807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.576807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.576807 (E_RNA)
where:
Base-Base interactions energy: -263.208
where: short stacking energy: -126.124
Base-Backbone interact. energy: -0.466
local terms energy: -117.902517
where:
bonds (distance) C4'-P energy: -25.588
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -28.132
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -33.912
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: 90
Temperature: 1.283333
Total energy: -195.799652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.799652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.799652 (E_RNA)
where:
Base-Base interactions energy: -116.725
where: short stacking energy: -67.987
Base-Backbone interact. energy: -0.669
local terms energy: -78.405886
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -23.908
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -14.979
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: 9
=====================================
Write number: 90
Temperature: 1.666667
Total energy: -100.773096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.773096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.773096 (E_RNA)
where:
Base-Base interactions energy: -45.480
where: short stacking energy: -28.113
Base-Backbone interact. energy: -0.283
local terms energy: -55.010037
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: 3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 90
Temperature: 2.050000
Total energy: -58.769346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.769346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.769346 (E_RNA)
where:
Base-Base interactions energy: -15.080
where: short stacking energy: -14.021
Base-Backbone interact. energy: 0.095
local terms energy: -43.784369
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: 10.267
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: 5
=====================================
Write number: 90
Temperature: 2.433333
Total energy: -52.993932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.993932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.993932 (E_RNA)
where:
Base-Base interactions energy: -20.262
where: short stacking energy: -18.738
Base-Backbone interact. energy: -0.477
local terms energy: -32.254802
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -4.185
flat angles P-C4'-P energy: 1.841
tors. eta vs tors. theta energy: 5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 90
Temperature: 2.816667
Total energy: -31.494004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.494004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.494004 (E_RNA)
where:
Base-Base interactions energy: -5.217
where: short stacking energy: -3.412
Base-Backbone interact. energy: -0.069
local terms energy: -26.208080
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -9.333
flat angles P-C4'-P energy: -0.793
tors. eta vs tors. theta energy: 12.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 90
Temperature: 3.200000
Total energy: -31.420306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.420306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.420306 (E_RNA)
where:
Base-Base interactions energy: 0.299
where: short stacking energy: 0.258
Base-Backbone interact. energy: 2.291
local terms energy: -34.010903
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -1.628
tors. eta vs tors. theta energy: 17.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 90
Temperature: 3.583333
Total energy: -21.979090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.979090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.979090 (E_RNA)
where:
Base-Base interactions energy: -0.877
where: short stacking energy: -1.554
Base-Backbone interact. energy: -1.072
local terms energy: -20.030327
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -8.518
flat angles C4'-P-C4' energy: -2.806
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: 15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 90
Temperature: 3.966667
Total energy: -15.273709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.273709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.273709 (E_RNA)
where:
Base-Base interactions energy: -4.936
where: short stacking energy: -4.415
Base-Backbone interact. energy: 0.654
local terms energy: -10.991907
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -6.100
flat angles P-C4'-P energy: 11.773
tors. eta vs tors. theta energy: 14.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 90
Temperature: 4.350000
Total energy: -1.698423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.698423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.698423 (E_RNA)
where:
Base-Base interactions energy: -12.849
where: short stacking energy: -10.740
Base-Backbone interact. energy: 0.733
local terms energy: 10.417892
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: 2.854
flat angles C4'-P-C4' energy: -4.234
flat angles P-C4'-P energy: 10.067
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: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -370.697109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.697109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.697109 (E_RNA)
where:
Base-Base interactions energy: -254.466
where: short stacking energy: -108.441
Base-Backbone interact. energy: -0.433
local terms energy: -115.797599
where:
bonds (distance) C4'-P energy: -22.508
bonds (distance) P-C4' energy: -23.788
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -30.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 91
Temperature: 1.283333
Total energy: -210.406020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.406020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.406020 (E_RNA)
where:
Base-Base interactions energy: -126.822
where: short stacking energy: -59.195
Base-Backbone interact. energy: -0.662
local terms energy: -82.922285
where:
bonds (distance) C4'-P energy: -21.357
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -18.161
tors. eta vs tors. theta energy: -3.663
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: 9
=====================================
Write number: 91
Temperature: 1.666667
Total energy: -85.029895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.029895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.029895 (E_RNA)
where:
Base-Base interactions energy: -42.507
where: short stacking energy: -30.938
Base-Backbone interact. energy: -0.304
local terms energy: -42.218993
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -9.665
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -4.192
tors. eta vs tors. theta energy: 0.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 91
Temperature: 2.050000
Total energy: -59.094106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.094106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.094106 (E_RNA)
where:
Base-Base interactions energy: -20.505
where: short stacking energy: -9.749
Base-Backbone interact. energy: 4.957
local terms energy: -43.546296
where:
bonds (distance) C4'-P energy: -21.529
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: 13.081
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: 4
=====================================
Write number: 91
Temperature: 2.433333
Total energy: -53.311488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.311488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.311488 (E_RNA)
where:
Base-Base interactions energy: -19.968
where: short stacking energy: -10.991
Base-Backbone interact. energy: -0.444
local terms energy: -32.899630
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -8.221
flat angles C4'-P-C4' energy: -4.595
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: 5.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 2.816667
Total energy: -36.455600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.455600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.455600 (E_RNA)
where:
Base-Base interactions energy: -4.184
where: short stacking energy: -2.780
Base-Backbone interact. energy: -0.386
local terms energy: -31.885696
where:
bonds (distance) C4'-P energy: -6.384
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -3.313
tors. eta vs tors. theta energy: 9.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 3.200000
Total energy: -24.150894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.150894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.150894 (E_RNA)
where:
Base-Base interactions energy: 1.302
where: short stacking energy: 2.472
Base-Backbone interact. energy: -0.596
local terms energy: -24.856948
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -1.193
tors. eta vs tors. theta energy: 15.647
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: 8
=====================================
Write number: 91
Temperature: 3.583333
Total energy: -20.564968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.564968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.564968 (E_RNA)
where:
Base-Base interactions energy: -6.523
where: short stacking energy: -6.523
Base-Backbone interact. energy: 0.278
local terms energy: -14.319988
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -9.852
flat angles C4'-P-C4' energy: -5.489
flat angles P-C4'-P energy: -2.645
tors. eta vs tors. theta energy: 14.656
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: 6
=====================================
Write number: 91
Temperature: 3.966667
Total energy: -12.468621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.468621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.468621 (E_RNA)
where:
Base-Base interactions energy: -4.830
where: short stacking energy: -3.481
Base-Backbone interact. energy: -0.868
local terms energy: -6.770313
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -2.872
flat angles P-C4'-P energy: 6.995
tors. eta vs tors. theta energy: 13.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 91
Temperature: 4.350000
Total energy: -0.910303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.910303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.910303 (E_RNA)
where:
Base-Base interactions energy: -7.742
where: short stacking energy: -3.866
Base-Backbone interact. energy: 3.890
local terms energy: 2.941142
where:
bonds (distance) C4'-P energy: -5.706
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -0.765
flat angles P-C4'-P energy: 13.804
tors. eta vs tors. theta energy: 11.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -370.741766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.741766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.741766 (E_RNA)
where:
Base-Base interactions energy: -242.875
where: short stacking energy: -118.269
Base-Backbone interact. energy: -0.777
local terms energy: -127.089203
where:
bonds (distance) C4'-P energy: -25.013
bonds (distance) P-C4' energy: -24.429
flat angles C4'-P-C4' energy: -27.342
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -36.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 92
Temperature: 1.283333
Total energy: -199.076432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.076432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.076432 (E_RNA)
where:
Base-Base interactions energy: -111.685
where: short stacking energy: -60.398
Base-Backbone interact. energy: 0.523
local terms energy: -87.914704
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -24.105
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: -11.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 92
Temperature: 1.666667
Total energy: -79.135450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.135450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.135450 (E_RNA)
where:
Base-Base interactions energy: -24.781
where: short stacking energy: -20.354
Base-Backbone interact. energy: 0.317
local terms energy: -54.671912
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -25.231
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: 5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 92
Temperature: 2.050000
Total energy: -72.579901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.579901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.579901 (E_RNA)
where:
Base-Base interactions energy: -34.672
where: short stacking energy: -19.334
Base-Backbone interact. energy: -0.176
local terms energy: -37.732398
where:
bonds (distance) C4'-P energy: -6.816
bonds (distance) P-C4' energy: -25.613
flat angles C4'-P-C4' energy: -8.718
flat angles P-C4'-P energy: -3.837
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: 5, replica: 4
=====================================
Write number: 92
Temperature: 2.433333
Total energy: -49.950186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.950186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.950186 (E_RNA)
where:
Base-Base interactions energy: 0.158
where: short stacking energy: 0.058
Base-Backbone interact. energy: 0.460
local terms energy: -50.568573
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: 6.566
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: 7
=====================================
Write number: 92
Temperature: 2.816667
Total energy: -33.965092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.965092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.965092 (E_RNA)
where:
Base-Base interactions energy: -6.268
where: short stacking energy: -6.785
Base-Backbone interact. energy: -0.966
local terms energy: -26.731263
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -2.529
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: 9.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 92
Temperature: 3.200000
Total energy: -20.720104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.720104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.720104 (E_RNA)
where:
Base-Base interactions energy: -7.318
where: short stacking energy: -9.760
Base-Backbone interact. energy: 0.386
local terms energy: -13.787528
where:
bonds (distance) C4'-P energy: -5.354
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -7.735
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: 15.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 92
Temperature: 3.583333
Total energy: -29.199777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.199777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.199777 (E_RNA)
where:
Base-Base interactions energy: -12.025
where: short stacking energy: -12.025
Base-Backbone interact. energy: -0.337
local terms energy: -16.837610
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: 1.262
tors. eta vs tors. theta energy: 15.322
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: 3
=====================================
Write number: 92
Temperature: 3.966667
Total energy: -10.327589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.327589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.327589 (E_RNA)
where:
Base-Base interactions energy: -1.886
where: short stacking energy: -0.442
Base-Backbone interact. energy: 0.176
local terms energy: -8.618101
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -3.309
flat angles P-C4'-P energy: 4.491
tors. eta vs tors. theta energy: 15.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 92
Temperature: 4.350000
Total energy: -2.818164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.818164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.818164 (E_RNA)
where:
Base-Base interactions energy: -1.362
where: short stacking energy: -3.762
Base-Backbone interact. energy: -0.457
local terms energy: -0.999340
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -5.518
flat angles C4'-P-C4' energy: -0.180
flat angles P-C4'-P energy: 5.794
tors. eta vs tors. theta energy: 15.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -382.810676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.810676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.810676 (E_RNA)
where:
Base-Base interactions energy: -252.233
where: short stacking energy: -116.707
Base-Backbone interact. energy: -2.708
local terms energy: -127.870120
where:
bonds (distance) C4'-P energy: -25.243
bonds (distance) P-C4' energy: -26.836
flat angles C4'-P-C4' energy: -25.239
flat angles P-C4'-P energy: -17.689
tors. eta vs tors. theta energy: -32.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 93
Temperature: 1.283333
Total energy: -204.110657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.110657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.110657 (E_RNA)
where:
Base-Base interactions energy: -130.200
where: short stacking energy: -52.642
Base-Backbone interact. energy: -0.515
local terms energy: -73.395657
where:
bonds (distance) C4'-P energy: -23.505
bonds (distance) P-C4' energy: -15.944
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: 1.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 93
Temperature: 1.666667
Total energy: -92.027523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.027523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.027523 (E_RNA)
where:
Base-Base interactions energy: -44.103
where: short stacking energy: -23.647
Base-Backbone interact. energy: -0.682
local terms energy: -47.241779
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: 10.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 93
Temperature: 2.050000
Total energy: -57.153734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.153734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.153734 (E_RNA)
where:
Base-Base interactions energy: -11.530
where: short stacking energy: -11.826
Base-Backbone interact. energy: -0.180
local terms energy: -45.443643
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -4.826
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: 9.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 93
Temperature: 2.433333
Total energy: -49.086220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.086220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.086220 (E_RNA)
where:
Base-Base interactions energy: -12.221
where: short stacking energy: -8.345
Base-Backbone interact. energy: -0.667
local terms energy: -36.197656
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: 10.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 93
Temperature: 2.816667
Total energy: -45.608890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.608890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.608890 (E_RNA)
where:
Base-Base interactions energy: -16.966
where: short stacking energy: -16.966
Base-Backbone interact. energy: -0.131
local terms energy: -28.512545
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: 1.501
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: 5.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 93
Temperature: 3.200000
Total energy: -30.905826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.905826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.905826 (E_RNA)
where:
Base-Base interactions energy: -4.169
where: short stacking energy: -3.193
Base-Backbone interact. energy: 0.463
local terms energy: -27.199260
where:
bonds (distance) C4'-P energy: -17.233
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -5.690
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: 19.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 93
Temperature: 3.583333
Total energy: -21.469655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.469655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.469655 (E_RNA)
where:
Base-Base interactions energy: 4.708
where: short stacking energy: 2.794
Base-Backbone interact. energy: -0.792
local terms energy: -25.385440
where:
bonds (distance) C4'-P energy: -9.616
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -1.770
tors. eta vs tors. theta energy: 15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 3.966667
Total energy: 0.020401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.020401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.020401 (E_RNA)
where:
Base-Base interactions energy: -4.502
where: short stacking energy: -1.483
Base-Backbone interact. energy: 9.561
local terms energy: -5.038148
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -4.513
flat angles C4'-P-C4' energy: -8.253
flat angles P-C4'-P energy: 3.235
tors. eta vs tors. theta energy: 15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 93
Temperature: 4.350000
Total energy: 0.061174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.061174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.061174 (E_RNA)
where:
Base-Base interactions energy: -2.097
where: short stacking energy: 0.045
Base-Backbone interact. energy: 0.135
local terms energy: 2.022945
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -2.229
flat angles C4'-P-C4' energy: 1.124
flat angles P-C4'-P energy: 2.982
tors. eta vs tors. theta energy: 15.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -388.999654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.999654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.999654 (E_RNA)
where:
Base-Base interactions energy: -253.743
where: short stacking energy: -114.822
Base-Backbone interact. energy: -1.634
local terms energy: -133.622079
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -27.980
flat angles C4'-P-C4' energy: -30.044
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -35.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 94
Temperature: 1.283333
Total energy: -237.409648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.409648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.409648 (E_RNA)
where:
Base-Base interactions energy: -152.714
where: short stacking energy: -79.040
Base-Backbone interact. energy: -0.233
local terms energy: -84.462258
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -18.707
tors. eta vs tors. theta energy: -8.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 94
Temperature: 1.666667
Total energy: -87.467132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.467132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.467132 (E_RNA)
where:
Base-Base interactions energy: -35.234
where: short stacking energy: -32.383
Base-Backbone interact. energy: -0.012
local terms energy: -52.220328
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -20.734
flat angles C4'-P-C4' energy: -9.250
flat angles P-C4'-P energy: -8.968
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: 4, replica: 9
=====================================
Write number: 94
Temperature: 2.050000
Total energy: -62.334842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.334842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.334842 (E_RNA)
where:
Base-Base interactions energy: -11.351
where: short stacking energy: -11.351
Base-Backbone interact. energy: 0.996
local terms energy: -51.979472
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -9.726
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: 6.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 94
Temperature: 2.433333
Total energy: -51.031357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.031357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.031357 (E_RNA)
where:
Base-Base interactions energy: -12.822
where: short stacking energy: -13.822
Base-Backbone interact. energy: 2.986
local terms energy: -41.194672
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: 10.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 94
Temperature: 2.816667
Total energy: -33.973554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.973554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.973554 (E_RNA)
where:
Base-Base interactions energy: -2.425
where: short stacking energy: -1.816
Base-Backbone interact. energy: -0.123
local terms energy: -31.425637
where:
bonds (distance) C4'-P energy: -23.395
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -8.116
flat angles P-C4'-P energy: 12.150
tors. eta vs tors. theta energy: 8.405
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: 3
=====================================
Write number: 94
Temperature: 3.200000
Total energy: -39.589937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.589937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.589937 (E_RNA)
where:
Base-Base interactions energy: -12.547
where: short stacking energy: -9.708
Base-Backbone interact. energy: 2.068
local terms energy: -29.111094
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -5.782
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: 14.077
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: 7
=====================================
Write number: 94
Temperature: 3.583333
Total energy: -10.153756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.153756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.153756 (E_RNA)
where:
Base-Base interactions energy: -1.285
where: short stacking energy: -1.108
Base-Backbone interact. energy: -0.400
local terms energy: -8.468062
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -6.077
flat angles P-C4'-P energy: 7.987
tors. eta vs tors. theta energy: 10.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 94
Temperature: 3.966667
Total energy: -17.491637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.491637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.491637 (E_RNA)
where:
Base-Base interactions energy: -6.889
where: short stacking energy: -5.132
Base-Backbone interact. energy: 2.069
local terms energy: -12.671849
where:
bonds (distance) C4'-P energy: -9.099
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: 9.017
tors. eta vs tors. theta energy: 13.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 4.350000
Total energy: -14.785839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.785839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.785839 (E_RNA)
where:
Base-Base interactions energy: -3.196
where: short stacking energy: -3.196
Base-Backbone interact. energy: 0.271
local terms energy: -11.860718
where:
bonds (distance) C4'-P energy: -2.478
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -8.109
flat angles P-C4'-P energy: -3.571
tors. eta vs tors. theta energy: 16.844
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: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -373.698105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.698105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.698105 (E_RNA)
where:
Base-Base interactions energy: -255.327
where: short stacking energy: -112.356
Base-Backbone interact. energy: -1.159
local terms energy: -117.212531
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -24.515
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -35.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 95
Temperature: 1.283333
Total energy: -271.361360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.361360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.361360 (E_RNA)
where:
Base-Base interactions energy: -165.354
where: short stacking energy: -79.100
Base-Backbone interact. energy: -0.750
local terms energy: -105.257359
where:
bonds (distance) C4'-P energy: -25.043
bonds (distance) P-C4' energy: -24.667
flat angles C4'-P-C4' energy: -26.898
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -15.200
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: 5
=====================================
Write number: 95
Temperature: 1.666667
Total energy: -92.207984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.207984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.207984 (E_RNA)
where:
Base-Base interactions energy: -24.403
where: short stacking energy: -14.528
Base-Backbone interact. energy: -1.073
local terms energy: -66.731898
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -27.359
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: 6.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 95
Temperature: 2.050000
Total energy: -64.686188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.686188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.686188 (E_RNA)
where:
Base-Base interactions energy: -23.891
where: short stacking energy: -20.699
Base-Backbone interact. energy: -0.646
local terms energy: -40.149415
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -1.009
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: 5.673
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: 5, replica: 8
=====================================
Write number: 95
Temperature: 2.433333
Total energy: -50.181797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.181797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.181797 (E_RNA)
where:
Base-Base interactions energy: -15.727
where: short stacking energy: -11.132
Base-Backbone interact. energy: -0.241
local terms energy: -34.213348
where:
bonds (distance) C4'-P energy: -8.497
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -2.434
tors. eta vs tors. theta energy: 11.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 95
Temperature: 2.816667
Total energy: -38.986203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.986203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.986203 (E_RNA)
where:
Base-Base interactions energy: -11.773
where: short stacking energy: -8.724
Base-Backbone interact. energy: 0.569
local terms energy: -27.782246
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -6.074
flat angles P-C4'-P energy: -0.273
tors. eta vs tors. theta energy: 15.395
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: 4
=====================================
Write number: 95
Temperature: 3.200000
Total energy: -27.771218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.771218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.771218 (E_RNA)
where:
Base-Base interactions energy: -7.318
where: short stacking energy: -5.036
Base-Backbone interact. energy: -0.537
local terms energy: -19.915309
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -4.435
flat angles P-C4'-P energy: -0.645
tors. eta vs tors. theta energy: 19.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 95
Temperature: 3.583333
Total energy: -12.519966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.519966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.519966 (E_RNA)
where:
Base-Base interactions energy: -5.654
where: short stacking energy: -5.234
Base-Backbone interact. energy: -0.547
local terms energy: -6.318429
where:
bonds (distance) C4'-P energy: -8.535
bonds (distance) P-C4' energy: -3.004
flat angles C4'-P-C4' energy: -4.583
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: 17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 95
Temperature: 3.966667
Total energy: -19.910252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.910252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.910252 (E_RNA)
where:
Base-Base interactions energy: -7.237
where: short stacking energy: -2.915
Base-Backbone interact. energy: -0.536
local terms energy: -12.137564
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -19.825
flat angles C4'-P-C4' energy: 2.296
flat angles P-C4'-P energy: 5.167
tors. eta vs tors. theta energy: 11.084
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: 10
=====================================
Write number: 95
Temperature: 4.350000
Total energy: -4.990468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.990468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.990468 (E_RNA)
where:
Base-Base interactions energy: -11.115
where: short stacking energy: -7.449
Base-Backbone interact. energy: -0.132
local terms energy: 6.256739
where:
bonds (distance) C4'-P energy: -3.849
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: 5.896
flat angles P-C4'-P energy: 6.994
tors. eta vs tors. theta energy: 9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -392.397280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.397280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.397280 (E_RNA)
where:
Base-Base interactions energy: -263.239
where: short stacking energy: -117.941
Base-Backbone interact. energy: -0.905
local terms energy: -128.252939
where:
bonds (distance) C4'-P energy: -25.852
bonds (distance) P-C4' energy: -26.017
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -36.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 96
Temperature: 1.283333
Total energy: -261.122287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.122287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.122287 (E_RNA)
where:
Base-Base interactions energy: -170.198
where: short stacking energy: -70.714
Base-Backbone interact. energy: -0.348
local terms energy: -90.576410
where:
bonds (distance) C4'-P energy: -19.587
bonds (distance) P-C4' energy: -21.453
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -20.193
tors. eta vs tors. theta energy: -9.201
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: 5
=====================================
Write number: 96
Temperature: 1.666667
Total energy: -90.439285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.439285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.439285 (E_RNA)
where:
Base-Base interactions energy: -34.158
where: short stacking energy: -31.832
Base-Backbone interact. energy: -0.239
local terms energy: -56.042526
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: 1.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 96
Temperature: 2.050000
Total energy: -70.202947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.202947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.202947 (E_RNA)
where:
Base-Base interactions energy: -24.167
where: short stacking energy: -24.167
Base-Backbone interact. energy: -0.313
local terms energy: -45.722873
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -23.421
flat angles C4'-P-C4' energy: -9.840
flat angles P-C4'-P energy: -1.466
tors. eta vs tors. theta energy: 7.077
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: 3
=====================================
Write number: 96
Temperature: 2.433333
Total energy: -55.498075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.498075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.498075 (E_RNA)
where:
Base-Base interactions energy: -17.462
where: short stacking energy: -17.462
Base-Backbone interact. energy: 0.899
local terms energy: -38.935653
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -7.605
flat angles P-C4'-P energy: -1.950
tors. eta vs tors. theta energy: 4.955
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: 8
=====================================
Write number: 96
Temperature: 2.816667
Total energy: -36.484086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.484086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.484086 (E_RNA)
where:
Base-Base interactions energy: -14.040
where: short stacking energy: -12.157
Base-Backbone interact. energy: -0.312
local terms energy: -22.131919
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -8.637
flat angles P-C4'-P energy: 1.102
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: 7, replica: 6
=====================================
Write number: 96
Temperature: 3.200000
Total energy: -37.889285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.889285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.889285 (E_RNA)
where:
Base-Base interactions energy: -3.394
where: short stacking energy: -3.394
Base-Backbone interact. energy: -0.171
local terms energy: -34.324451
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -3.363
tors. eta vs tors. theta energy: 12.558
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: 4
=====================================
Write number: 96
Temperature: 3.583333
Total energy: -12.883171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.883171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.883171 (E_RNA)
where:
Base-Base interactions energy: -7.114
where: short stacking energy: -4.834
Base-Backbone interact. energy: 0.161
local terms energy: -5.930335
where:
bonds (distance) C4'-P energy: -6.921
bonds (distance) P-C4' energy: -6.910
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: 3.130
tors. eta vs tors. theta energy: 14.936
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: 9, replica: 7
=====================================
Write number: 96
Temperature: 3.966667
Total energy: -11.282849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.282849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.282849 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: 1.377
local terms energy: -12.660209
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: 4.471
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: 17.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 4.350000
Total energy: 0.883483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.883483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.883483 (E_RNA)
where:
Base-Base interactions energy: -3.591
where: short stacking energy: -2.922
Base-Backbone interact. energy: 10.213
local terms energy: -5.738802
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -4.507
flat angles P-C4'-P energy: 8.464
tors. eta vs tors. theta energy: 20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -386.260335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.260335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.260335 (E_RNA)
where:
Base-Base interactions energy: -262.554
where: short stacking energy: -117.929
Base-Backbone interact. energy: -0.942
local terms energy: -122.764482
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -27.403
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -32.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 97
Temperature: 1.283333
Total energy: -236.150761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.150761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.150761 (E_RNA)
where:
Base-Base interactions energy: -138.942
where: short stacking energy: -66.108
Base-Backbone interact. energy: -0.721
local terms energy: -96.487891
where:
bonds (distance) C4'-P energy: -24.253
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -23.192
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -11.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 97
Temperature: 1.666667
Total energy: -83.983708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.983708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.983708 (E_RNA)
where:
Base-Base interactions energy: -30.395
where: short stacking energy: -28.386
Base-Backbone interact. energy: 2.105
local terms energy: -55.693165
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -25.210
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -3.402
tors. eta vs tors. theta energy: 4.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 97
Temperature: 2.050000
Total energy: -56.720961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.720961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.720961 (E_RNA)
where:
Base-Base interactions energy: -19.081
where: short stacking energy: -13.625
Base-Backbone interact. energy: 0.951
local terms energy: -38.590864
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: 16.326
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: 3
=====================================
Write number: 97
Temperature: 2.433333
Total energy: -47.196416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.196416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.196416 (E_RNA)
where:
Base-Base interactions energy: -14.629
where: short stacking energy: -14.399
Base-Backbone interact. energy: -0.983
local terms energy: -31.585034
where:
bonds (distance) C4'-P energy: -7.176
bonds (distance) P-C4' energy: -24.368
flat angles C4'-P-C4' energy: -5.375
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: 15.693
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: 6
=====================================
Write number: 97
Temperature: 2.816667
Total energy: -36.003031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.003031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.003031 (E_RNA)
where:
Base-Base interactions energy: -10.021
where: short stacking energy: -6.799
Base-Backbone interact. energy: -0.523
local terms energy: -25.458979
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -7.708
flat angles P-C4'-P energy: -2.308
tors. eta vs tors. theta energy: 13.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 97
Temperature: 3.200000
Total energy: -32.341324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.341324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.341324 (E_RNA)
where:
Base-Base interactions energy: -5.765
where: short stacking energy: -4.609
Base-Backbone interact. energy: 0.057
local terms energy: -26.634077
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -0.756
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: 14.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 97
Temperature: 3.583333
Total energy: -18.642391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.642391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.642391 (E_RNA)
where:
Base-Base interactions energy: -5.536
where: short stacking energy: -1.988
Base-Backbone interact. energy: 8.679
local terms energy: -21.784961
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -9.087
flat angles P-C4'-P energy: 0.157
tors. eta vs tors. theta energy: 9.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 97
Temperature: 3.966667
Total energy: -8.270715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.270715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.270715 (E_RNA)
where:
Base-Base interactions energy: -5.912
where: short stacking energy: -1.757
Base-Backbone interact. energy: 1.526
local terms energy: -3.885500
where:
bonds (distance) C4'-P energy: -7.021
bonds (distance) P-C4' energy: -3.365
flat angles C4'-P-C4' energy: -3.908
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: 16.945
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: 10
=====================================
Write number: 97
Temperature: 4.350000
Total energy: -1.321347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.321347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.321347 (E_RNA)
where:
Base-Base interactions energy: -8.158
where: short stacking energy: -5.272
Base-Backbone interact. energy: 1.148
local terms energy: 5.689107
where:
bonds (distance) C4'-P energy: -8.822
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -0.180
flat angles P-C4'-P energy: 15.524
tors. eta vs tors. theta energy: 13.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -390.912925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.912925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.912925 (E_RNA)
where:
Base-Base interactions energy: -257.185
where: short stacking energy: -116.706
Base-Backbone interact. energy: -0.335
local terms energy: -133.393099
where:
bonds (distance) C4'-P energy: -24.816
bonds (distance) P-C4' energy: -23.891
flat angles C4'-P-C4' energy: -29.212
flat angles P-C4'-P energy: -18.418
tors. eta vs tors. theta energy: -37.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 98
Temperature: 1.283333
Total energy: -241.226275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.226275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.226275 (E_RNA)
where:
Base-Base interactions energy: -142.868
where: short stacking energy: -68.262
Base-Backbone interact. energy: 1.024
local terms energy: -99.382460
where:
bonds (distance) C4'-P energy: -25.055
bonds (distance) P-C4' energy: -24.321
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.666667
Total energy: -80.761272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.761272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.761272 (E_RNA)
where:
Base-Base interactions energy: -27.341
where: short stacking energy: -22.241
Base-Backbone interact. energy: -0.511
local terms energy: -52.909853
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: 3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 98
Temperature: 2.050000
Total energy: -59.035009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.035009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.035009 (E_RNA)
where:
Base-Base interactions energy: -11.835
where: short stacking energy: -9.114
Base-Backbone interact. energy: -0.433
local terms energy: -46.766923
where:
bonds (distance) C4'-P energy: -24.080
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -3.580
tors. eta vs tors. theta energy: 8.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 98
Temperature: 2.433333
Total energy: -44.529396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.529396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.529396 (E_RNA)
where:
Base-Base interactions energy: -12.638
where: short stacking energy: -10.355
Base-Backbone interact. energy: -0.177
local terms energy: -31.714291
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -0.967
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: 17.275
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: 6, replica: 6
=====================================
Write number: 98
Temperature: 2.816667
Total energy: -30.402558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.402558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.402558 (E_RNA)
where:
Base-Base interactions energy: -18.446
where: short stacking energy: -17.565
Base-Backbone interact. energy: 1.660
local terms energy: -13.616221
where:
bonds (distance) C4'-P energy: -6.149
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -5.379
flat angles P-C4'-P energy: -0.838
tors. eta vs tors. theta energy: 11.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 98
Temperature: 3.200000
Total energy: -21.093879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.093879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.093879 (E_RNA)
where:
Base-Base interactions energy: -3.011
where: short stacking energy: -3.000
Base-Backbone interact. energy: -0.079
local terms energy: -18.003549
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -8.719
flat angles P-C4'-P energy: 3.659
tors. eta vs tors. theta energy: 15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 98
Temperature: 3.583333
Total energy: -8.953625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.953625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.953625 (E_RNA)
where:
Base-Base interactions energy: -4.541
where: short stacking energy: -3.720
Base-Backbone interact. energy: -0.430
local terms energy: -3.982001
where:
bonds (distance) C4'-P energy: -5.654
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: 11.176
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: 12.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 98
Temperature: 3.966667
Total energy: -7.159430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.159430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.159430 (E_RNA)
where:
Base-Base interactions energy: -8.242
where: short stacking energy: -7.948
Base-Backbone interact. energy: 6.232
local terms energy: -5.148700
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -8.420
flat angles C4'-P-C4' energy: 1.394
flat angles P-C4'-P energy: -1.484
tors. eta vs tors. theta energy: 13.594
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: 7
=====================================
Write number: 98
Temperature: 4.350000
Total energy: -1.222711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.222711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.222711 (E_RNA)
where:
Base-Base interactions energy: -12.682
where: short stacking energy: -8.065
Base-Backbone interact. energy: -0.137
local terms energy: 11.595862
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -6.564
flat angles C4'-P-C4' energy: 0.170
flat angles P-C4'-P energy: 7.869
tors. eta vs tors. theta energy: 20.404
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: 99
Temperature: 0.900000
Total energy: -389.996023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.996023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.996023 (E_RNA)
where:
Base-Base interactions energy: -260.679
where: short stacking energy: -113.318
Base-Backbone interact. energy: -1.114
local terms energy: -128.203076
where:
bonds (distance) C4'-P energy: -27.082
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -28.405
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: -34.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 99
Temperature: 1.283333
Total energy: -236.972437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.972437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.972437 (E_RNA)
where:
Base-Base interactions energy: -152.208
where: short stacking energy: -66.534
Base-Backbone interact. energy: -0.113
local terms energy: -84.651612
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -25.431
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -12.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 99
Temperature: 1.666667
Total energy: -94.724016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.724016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.724016 (E_RNA)
where:
Base-Base interactions energy: -31.944
where: short stacking energy: -28.982
Base-Backbone interact. energy: -0.313
local terms energy: -62.466649
where:
bonds (distance) C4'-P energy: -25.693
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -6.314
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: 1.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 99
Temperature: 2.050000
Total energy: -62.793150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.793150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.793150 (E_RNA)
where:
Base-Base interactions energy: -16.843
where: short stacking energy: -14.803
Base-Backbone interact. energy: 1.007
local terms energy: -46.957071
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -3.789
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: 6.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 99
Temperature: 2.433333
Total energy: -51.944778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.944778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.944778 (E_RNA)
where:
Base-Base interactions energy: -18.657
where: short stacking energy: -12.134
Base-Backbone interact. energy: 1.968
local terms energy: -35.254878
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: 3.843
tors. eta vs tors. theta energy: 11.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 99
Temperature: 2.816667
Total energy: -39.385587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.385587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.385587 (E_RNA)
where:
Base-Base interactions energy: -11.384
where: short stacking energy: -8.340
Base-Backbone interact. energy: -1.771
local terms energy: -26.229775
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -0.300
tors. eta vs tors. theta energy: 13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 99
Temperature: 3.200000
Total energy: -23.519411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.519411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.519411 (E_RNA)
where:
Base-Base interactions energy: -8.080
where: short stacking energy: -1.756
Base-Backbone interact. energy: 1.027
local terms energy: -16.466003
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -17.479
flat angles C4'-P-C4' energy: -3.146
flat angles P-C4'-P energy: 4.363
tors. eta vs tors. theta energy: 18.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 99
Temperature: 3.583333
Total energy: -18.423858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.423858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.423858 (E_RNA)
where:
Base-Base interactions energy: -6.083
where: short stacking energy: -2.519
Base-Backbone interact. energy: -0.994
local terms energy: -11.346665
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -3.990
flat angles P-C4'-P energy: -2.821
tors. eta vs tors. theta energy: 19.242
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: 10
=====================================
Write number: 99
Temperature: 3.966667
Total energy: -8.206179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.206179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.206179 (E_RNA)
where:
Base-Base interactions energy: -5.567
where: short stacking energy: -5.691
Base-Backbone interact. energy: 4.254
local terms energy: -6.892363
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: 3.604
flat angles P-C4'-P energy: 0.129
tors. eta vs tors. theta energy: 16.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 99
Temperature: 4.350000
Total energy: -8.874479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.874479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.874479 (E_RNA)
where:
Base-Base interactions energy: -6.032
where: short stacking energy: -6.442
Base-Backbone interact. energy: -1.051
local terms energy: -1.791383
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -8.765
flat angles C4'-P-C4' energy: 8.772
flat angles P-C4'-P energy: 2.532
tors. eta vs tors. theta energy: 11.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -385.963632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.963632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.963632 (E_RNA)
where:
Base-Base interactions energy: -261.035
where: short stacking energy: -117.689
Base-Backbone interact. energy: -0.665
local terms energy: -124.264030
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -25.211
flat angles P-C4'-P energy: -19.384
tors. eta vs tors. theta energy: -37.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 100
Temperature: 1.283333
Total energy: -231.397625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.397625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.397625 (E_RNA)
where:
Base-Base interactions energy: -145.266
where: short stacking energy: -65.821
Base-Backbone interact. energy: -0.474
local terms energy: -85.657007
where:
bonds (distance) C4'-P energy: -21.518
bonds (distance) P-C4' energy: -23.942
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -11.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 100
Temperature: 1.666667
Total energy: -86.332398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.332398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.332398 (E_RNA)
where:
Base-Base interactions energy: -21.289
where: short stacking energy: -21.289
Base-Backbone interact. energy: -0.331
local terms energy: -64.711876
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -22.809
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: 6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 100
Temperature: 2.050000
Total energy: -67.475678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.475678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.475678 (E_RNA)
where:
Base-Base interactions energy: -20.880
where: short stacking energy: -20.497
Base-Backbone interact. energy: -0.280
local terms energy: -46.315377
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -22.065
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: 11.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 100
Temperature: 2.433333
Total energy: -47.310318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.310318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.310318 (E_RNA)
where:
Base-Base interactions energy: -11.162
where: short stacking energy: -9.784
Base-Backbone interact. energy: 8.144
local terms energy: -44.293026
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: 7.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 100
Temperature: 2.816667
Total energy: -45.999914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.999914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.999914 (E_RNA)
where:
Base-Base interactions energy: -12.113
where: short stacking energy: -9.086
Base-Backbone interact. energy: 1.440
local terms energy: -35.327363
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -16.447
flat angles C4'-P-C4' energy: -8.470
flat angles P-C4'-P energy: 1.415
tors. eta vs tors. theta energy: 3.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 100
Temperature: 3.200000
Total energy: -28.606677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.606677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.606677 (E_RNA)
where:
Base-Base interactions energy: -10.389
where: short stacking energy: -6.987
Base-Backbone interact. energy: -0.140
local terms energy: -18.078023
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -10.686
flat angles C4'-P-C4' energy: -7.951
flat angles P-C4'-P energy: 6.362
tors. eta vs tors. theta energy: 8.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 100
Temperature: 3.583333
Total energy: -20.799950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.799950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.799950 (E_RNA)
where:
Base-Base interactions energy: -8.364
where: short stacking energy: -4.583
Base-Backbone interact. energy: -0.264
local terms energy: -12.172128
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -5.587
flat angles C4'-P-C4' energy: -1.373
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: 14.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 100
Temperature: 3.966667
Total energy: -5.410931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.410931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.410931 (E_RNA)
where:
Base-Base interactions energy: -6.203
where: short stacking energy: -6.203
Base-Backbone interact. energy: 0.552
local terms energy: 0.240409
where:
bonds (distance) C4'-P energy: -5.959
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: 8.404
flat angles P-C4'-P energy: -5.056
tors. eta vs tors. theta energy: 15.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 100
Temperature: 4.350000
Total energy: -10.995399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.995399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.995399 (E_RNA)
where:
Base-Base interactions energy: -11.625
where: short stacking energy: -10.134
Base-Backbone interact. energy: 1.060
local terms energy: -0.430393
where:
bonds (distance) C4'-P energy: -8.499
bonds (distance) P-C4' energy: -7.240
flat angles C4'-P-C4' energy: 2.721
flat angles P-C4'-P energy: 5.231
tors. eta vs tors. theta energy: 7.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -383.147856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.147856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.147856 (E_RNA)
where:
Base-Base interactions energy: -252.409
where: short stacking energy: -122.314
Base-Backbone interact. energy: -0.753
local terms energy: -129.985244
where:
bonds (distance) C4'-P energy: -27.067
bonds (distance) P-C4' energy: -23.794
flat angles C4'-P-C4' energy: -25.752
flat angles P-C4'-P energy: -18.034
tors. eta vs tors. theta energy: -35.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 101
Temperature: 1.283333
Total energy: -239.044024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.044024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.044024 (E_RNA)
where:
Base-Base interactions energy: -154.484
where: short stacking energy: -75.093
Base-Backbone interact. energy: 0.266
local terms energy: -84.825272
where:
bonds (distance) C4'-P energy: -22.985
bonds (distance) P-C4' energy: -24.018
flat angles C4'-P-C4' energy: -21.332
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -11.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 101
Temperature: 1.666667
Total energy: -79.671698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.671698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.671698 (E_RNA)
where:
Base-Base interactions energy: -28.437
where: short stacking energy: -28.437
Base-Backbone interact. energy: -0.398
local terms energy: -50.836798
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: 5.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 101
Temperature: 2.050000
Total energy: -67.685335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.685335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.685335 (E_RNA)
where:
Base-Base interactions energy: -20.535
where: short stacking energy: -16.406
Base-Backbone interact. energy: 0.594
local terms energy: -47.744782
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: 6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 101
Temperature: 2.433333
Total energy: -49.180128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.180128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.180128 (E_RNA)
where:
Base-Base interactions energy: -11.865
where: short stacking energy: -9.580
Base-Backbone interact. energy: 1.021
local terms energy: -38.335958
where:
bonds (distance) C4'-P energy: -7.327
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -8.839
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: 7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 101
Temperature: 2.816667
Total energy: -43.905327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.905327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.905327 (E_RNA)
where:
Base-Base interactions energy: -9.255
where: short stacking energy: -4.372
Base-Backbone interact. energy: 3.164
local terms energy: -37.814569
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -21.423
flat angles C4'-P-C4' energy: -5.652
flat angles P-C4'-P energy: -0.356
tors. eta vs tors. theta energy: 7.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 101
Temperature: 3.200000
Total energy: -21.069231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.069231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.069231 (E_RNA)
where:
Base-Base interactions energy: -20.386
where: short stacking energy: -5.148
Base-Backbone interact. energy: 0.607
local terms energy: -1.289812
where:
bonds (distance) C4'-P energy: -7.021
bonds (distance) P-C4' energy: -11.469
flat angles C4'-P-C4' energy: 5.702
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: 17.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 101
Temperature: 3.583333
Total energy: -29.850648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.850648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.850648 (E_RNA)
where:
Base-Base interactions energy: -18.559
where: short stacking energy: -17.442
Base-Backbone interact. energy: 1.734
local terms energy: -13.026082
where:
bonds (distance) C4'-P energy: -6.966
bonds (distance) P-C4' energy: -7.465
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -1.741
tors. eta vs tors. theta energy: 15.298
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: 6
=====================================
Write number: 101
Temperature: 3.966667
Total energy: -7.250679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.250679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.250679 (E_RNA)
where:
Base-Base interactions energy: -0.648
where: short stacking energy: 0.000
Base-Backbone interact. energy: 3.855
local terms energy: -10.457806
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -1.220
flat angles P-C4'-P energy: 7.632
tors. eta vs tors. theta energy: 14.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 101
Temperature: 4.350000
Total energy: -4.698460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.698460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.698460 (E_RNA)
where:
Base-Base interactions energy: 0.119
where: short stacking energy: 0.227
Base-Backbone interact. energy: 1.139
local terms energy: -5.956633
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -0.783
flat angles C4'-P-C4' energy: 5.630
flat angles P-C4'-P energy: -2.310
tors. eta vs tors. theta energy: 7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -385.684431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.684431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.684431 (E_RNA)
where:
Base-Base interactions energy: -256.811
where: short stacking energy: -122.597
Base-Backbone interact. energy: -0.086
local terms energy: -128.787777
where:
bonds (distance) C4'-P energy: -22.099
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -28.586
flat angles P-C4'-P energy: -20.685
tors. eta vs tors. theta energy: -35.196
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: 2
=====================================
Write number: 102
Temperature: 1.283333
Total energy: -235.991535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.991535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.991535 (E_RNA)
where:
Base-Base interactions energy: -148.736
where: short stacking energy: -80.839
Base-Backbone interact. energy: 0.021
local terms energy: -87.276858
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -22.647
flat angles C4'-P-C4' energy: -20.244
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -21.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.666667
Total energy: -84.555742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.555742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.555742 (E_RNA)
where:
Base-Base interactions energy: -24.329
where: short stacking energy: -18.550
Base-Backbone interact. energy: -0.434
local terms energy: -59.792509
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -20.696
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: 10.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 102
Temperature: 2.050000
Total energy: -69.164842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.164842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.164842 (E_RNA)
where:
Base-Base interactions energy: -21.516
where: short stacking energy: -19.599
Base-Backbone interact. energy: 0.447
local terms energy: -48.095963
where:
bonds (distance) C4'-P energy: -21.437
bonds (distance) P-C4' energy: -5.734
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: 8.409
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: 4
=====================================
Write number: 102
Temperature: 2.433333
Total energy: -45.346827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.346827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.346827 (E_RNA)
where:
Base-Base interactions energy: -11.694
where: short stacking energy: -2.050
Base-Backbone interact. energy: 1.440
local terms energy: -35.092939
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: 11.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 102
Temperature: 2.816667
Total energy: -30.947617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.947617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.947617 (E_RNA)
where:
Base-Base interactions energy: -4.848
where: short stacking energy: -4.848
Base-Backbone interact. energy: -0.281
local terms energy: -25.818819
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -8.482
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: 12.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 102
Temperature: 3.200000
Total energy: -27.731420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.731420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.731420 (E_RNA)
where:
Base-Base interactions energy: -2.419
where: short stacking energy: -2.409
Base-Backbone interact. energy: -0.401
local terms energy: -24.911655
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -1.726
flat angles P-C4'-P energy: 1.442
tors. eta vs tors. theta energy: 15.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 3.583333
Total energy: -15.145986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.145986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.145986 (E_RNA)
where:
Base-Base interactions energy: -5.755
where: short stacking energy: -5.081
Base-Backbone interact. energy: -0.338
local terms energy: -9.052528
where:
bonds (distance) C4'-P energy: -7.047
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -2.135
flat angles P-C4'-P energy: 0.553
tors. eta vs tors. theta energy: 18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 102
Temperature: 3.966667
Total energy: -22.484705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.484705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.484705 (E_RNA)
where:
Base-Base interactions energy: -0.891
where: short stacking energy: -0.059
Base-Backbone interact. energy: 5.095
local terms energy: -26.688656
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -25.538
flat angles C4'-P-C4' energy: -8.801
flat angles P-C4'-P energy: 6.380
tors. eta vs tors. theta energy: 11.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 4.350000
Total energy: -4.816743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.816743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.816743 (E_RNA)
where:
Base-Base interactions energy: -4.384
where: short stacking energy: -4.884
Base-Backbone interact. energy: 1.722
local terms energy: -2.154299
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: 1.930
flat angles P-C4'-P energy: 3.689
tors. eta vs tors. theta energy: 13.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -387.829192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.829192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.829192 (E_RNA)
where:
Base-Base interactions energy: -249.829
where: short stacking energy: -110.481
Base-Backbone interact. energy: 0.200
local terms energy: -138.200001
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -28.142
flat angles C4'-P-C4' energy: -29.981
flat angles P-C4'-P energy: -21.587
tors. eta vs tors. theta energy: -33.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 103
Temperature: 1.283333
Total energy: -230.902809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.902809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.902809 (E_RNA)
where:
Base-Base interactions energy: -133.943
where: short stacking energy: -70.516
Base-Backbone interact. energy: -0.305
local terms energy: -96.654235
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -24.594
flat angles P-C4'-P energy: -17.116
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: 3, replica: 5
=====================================
Write number: 103
Temperature: 1.666667
Total energy: -86.252457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.252457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.252457 (E_RNA)
where:
Base-Base interactions energy: -25.543
where: short stacking energy: -25.312
Base-Backbone interact. energy: -0.449
local terms energy: -60.260365
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -21.863
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: 3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 103
Temperature: 2.050000
Total energy: -67.361035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.361035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.361035 (E_RNA)
where:
Base-Base interactions energy: -23.839
where: short stacking energy: -19.307
Base-Backbone interact. energy: 2.785
local terms energy: -46.307137
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -19.674
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -3.833
tors. eta vs tors. theta energy: 6.581
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: 4
=====================================
Write number: 103
Temperature: 2.433333
Total energy: -49.908708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.908708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.908708 (E_RNA)
where:
Base-Base interactions energy: -15.387
where: short stacking energy: -11.355
Base-Backbone interact. energy: 3.494
local terms energy: -38.015826
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -23.131
flat angles C4'-P-C4' energy: -9.027
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: 14.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 103
Temperature: 2.816667
Total energy: -32.662298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.662298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.662298 (E_RNA)
where:
Base-Base interactions energy: -8.603
where: short stacking energy: -3.215
Base-Backbone interact. energy: 0.816
local terms energy: -24.876163
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -10.018
flat angles C4'-P-C4' energy: -6.705
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: 9.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 103
Temperature: 3.200000
Total energy: -32.941716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.941716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.941716 (E_RNA)
where:
Base-Base interactions energy: -5.570
where: short stacking energy: -3.626
Base-Backbone interact. energy: 0.226
local terms energy: -27.597677
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -0.071
tors. eta vs tors. theta energy: 12.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 103
Temperature: 3.583333
Total energy: -13.606324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.606324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.606324 (E_RNA)
where:
Base-Base interactions energy: -4.519
where: short stacking energy: -5.765
Base-Backbone interact. energy: -0.253
local terms energy: -8.835001
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -1.217
flat angles P-C4'-P energy: 6.821
tors. eta vs tors. theta energy: 10.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 103
Temperature: 3.966667
Total energy: -8.787180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.787180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.787180 (E_RNA)
where:
Base-Base interactions energy: -3.033
where: short stacking energy: -3.033
Base-Backbone interact. energy: -0.665
local terms energy: -5.089581
where:
bonds (distance) C4'-P energy: -7.745
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: 3.791
flat angles P-C4'-P energy: 4.026
tors. eta vs tors. theta energy: 14.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 103
Temperature: 4.350000
Total energy: 4.932405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4.932405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 4.932405 (E_RNA)
where:
Base-Base interactions energy: -1.120
where: short stacking energy: -1.520
Base-Backbone interact. energy: 5.321
local terms energy: 0.732091
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -8.561
flat angles C4'-P-C4' energy: 7.203
flat angles P-C4'-P energy: 1.176
tors. eta vs tors. theta energy: 17.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -379.995690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.995690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.995690 (E_RNA)
where:
Base-Base interactions energy: -248.777
where: short stacking energy: -110.863
Base-Backbone interact. energy: -1.083
local terms energy: -130.136176
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -29.442
flat angles C4'-P-C4' energy: -27.655
flat angles P-C4'-P energy: -18.173
tors. eta vs tors. theta energy: -33.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 1.283333
Total energy: -235.303024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.303024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.303024 (E_RNA)
where:
Base-Base interactions energy: -140.310
where: short stacking energy: -74.385
Base-Backbone interact. energy: -0.375
local terms energy: -94.617514
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -19.845
tors. eta vs tors. theta energy: -18.906
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: 5
=====================================
Write number: 104
Temperature: 1.666667
Total energy: -89.206849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.206849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.206849 (E_RNA)
where:
Base-Base interactions energy: -27.243
where: short stacking energy: -27.243
Base-Backbone interact. energy: 3.664
local terms energy: -65.627712
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: 6.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 104
Temperature: 2.050000
Total energy: -61.921308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.921308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.921308 (E_RNA)
where:
Base-Base interactions energy: -11.707
where: short stacking energy: -10.957
Base-Backbone interact. energy: -0.398
local terms energy: -49.816107
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -3.821
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: 4.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 104
Temperature: 2.433333
Total energy: -46.062513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.062513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.062513 (E_RNA)
where:
Base-Base interactions energy: -11.785
where: short stacking energy: -11.579
Base-Backbone interact. energy: 2.218
local terms energy: -36.496094
where:
bonds (distance) C4'-P energy: -18.670
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -6.177
flat angles P-C4'-P energy: -4.313
tors. eta vs tors. theta energy: 11.218
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: 104
Temperature: 2.816667
Total energy: -34.450753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.450753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.450753 (E_RNA)
where:
Base-Base interactions energy: -6.466
where: short stacking energy: -6.966
Base-Backbone interact. energy: -0.622
local terms energy: -27.363368
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: 8.672
tors. eta vs tors. theta energy: 7.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 104
Temperature: 3.200000
Total energy: -38.300613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.300613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.300613 (E_RNA)
where:
Base-Base interactions energy: -5.657
where: short stacking energy: 0.478
Base-Backbone interact. energy: -0.820
local terms energy: -31.823816
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: 20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 104
Temperature: 3.583333
Total energy: -9.908464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.908464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.908464 (E_RNA)
where:
Base-Base interactions energy: -6.865
where: short stacking energy: -5.291
Base-Backbone interact. energy: -0.688
local terms energy: -2.354928
where:
bonds (distance) C4'-P energy: 6.360
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -0.382
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: 11.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 3.966667
Total energy: -3.472700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.472700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.472700 (E_RNA)
where:
Base-Base interactions energy: -5.104
where: short stacking energy: -3.848
Base-Backbone interact. energy: 1.459
local terms energy: 0.171632
where:
bonds (distance) C4'-P energy: 6.446
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -7.543
flat angles P-C4'-P energy: 5.530
tors. eta vs tors. theta energy: 16.475
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: 6
=====================================
Write number: 104
Temperature: 4.350000
Total energy: -9.840954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.840954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.840954 (E_RNA)
where:
Base-Base interactions energy: -7.570
where: short stacking energy: -2.529
Base-Backbone interact. energy: 4.094
local terms energy: -6.364861
where:
bonds (distance) C4'-P energy: -4.981
bonds (distance) P-C4' energy: -1.751
flat angles C4'-P-C4' energy: 3.413
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: 3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -371.117604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.117604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.117604 (E_RNA)
where:
Base-Base interactions energy: -252.027
where: short stacking energy: -114.072
Base-Backbone interact. energy: 0.511
local terms energy: -119.601003
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -25.893
flat angles C4'-P-C4' energy: -26.034
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -32.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 105
Temperature: 1.283333
Total energy: -204.393535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.393535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.393535 (E_RNA)
where:
Base-Base interactions energy: -119.609
where: short stacking energy: -66.486
Base-Backbone interact. energy: -0.170
local terms energy: -84.615133
where:
bonds (distance) C4'-P energy: -19.239
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -20.473
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -15.328
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: 5
=====================================
Write number: 105
Temperature: 1.666667
Total energy: -81.029389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.029389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.029389 (E_RNA)
where:
Base-Base interactions energy: -23.674
where: short stacking energy: -18.360
Base-Backbone interact. energy: 0.913
local terms energy: -58.268998
where:
bonds (distance) C4'-P energy: -24.192
bonds (distance) P-C4' energy: -21.104
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -1.888
tors. eta vs tors. theta energy: 3.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 105
Temperature: 2.050000
Total energy: -68.873271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.873271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.873271 (E_RNA)
where:
Base-Base interactions energy: -19.811
where: short stacking energy: -19.673
Base-Backbone interact. energy: -1.936
local terms energy: -47.126489
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -21.451
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: 13.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 105
Temperature: 2.433333
Total energy: -45.036790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.036790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.036790 (E_RNA)
where:
Base-Base interactions energy: -13.458
where: short stacking energy: -13.458
Base-Backbone interact. energy: -0.497
local terms energy: -31.082275
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -7.029
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: 9.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 105
Temperature: 2.816667
Total energy: -44.123506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.123506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.123506 (E_RNA)
where:
Base-Base interactions energy: -13.501
where: short stacking energy: -13.501
Base-Backbone interact. energy: 6.115
local terms energy: -36.737272
where:
bonds (distance) C4'-P energy: -8.029
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: 10.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 105
Temperature: 3.200000
Total energy: -28.377592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.377592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.377592 (E_RNA)
where:
Base-Base interactions energy: -3.552
where: short stacking energy: -3.552
Base-Backbone interact. energy: 6.640
local terms energy: -31.465433
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -7.313
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: 15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 105
Temperature: 3.583333
Total energy: -16.802817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.802817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.802817 (E_RNA)
where:
Base-Base interactions energy: -1.471
where: short stacking energy: -0.915
Base-Backbone interact. energy: 6.457
local terms energy: -21.788686
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: 9.785
tors. eta vs tors. theta energy: 14.644
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: 105
Temperature: 3.966667
Total energy: -5.295681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.295681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.295681 (E_RNA)
where:
Base-Base interactions energy: -9.188
where: short stacking energy: -9.188
Base-Backbone interact. energy: 0.086
local terms energy: 3.806456
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: 2.545
flat angles P-C4'-P energy: 13.780
tors. eta vs tors. theta energy: 14.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 105
Temperature: 4.350000
Total energy: -2.387301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.387301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.387301 (E_RNA)
where:
Base-Base interactions energy: -4.766
where: short stacking energy: -4.837
Base-Backbone interact. energy: -0.783
local terms energy: 3.161604
where:
bonds (distance) C4'-P energy: -7.129
bonds (distance) P-C4' energy: -5.366
flat angles C4'-P-C4' energy: -7.279
flat angles P-C4'-P energy: 6.508
tors. eta vs tors. theta energy: 16.427
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: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -369.797772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.797772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.797772 (E_RNA)
where:
Base-Base interactions energy: -240.257
where: short stacking energy: -122.004
Base-Backbone interact. energy: -0.186
local terms energy: -129.355190
where:
bonds (distance) C4'-P energy: -28.219
bonds (distance) P-C4' energy: -28.218
flat angles C4'-P-C4' energy: -24.551
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -34.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 106
Temperature: 1.283333
Total energy: -203.387566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.387566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.387566 (E_RNA)
where:
Base-Base interactions energy: -122.141
where: short stacking energy: -44.663
Base-Backbone interact. energy: -1.424
local terms energy: -79.822428
where:
bonds (distance) C4'-P energy: -17.750
bonds (distance) P-C4' energy: -27.410
flat angles C4'-P-C4' energy: -21.291
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.666667
Total energy: -96.555120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.555120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.555120 (E_RNA)
where:
Base-Base interactions energy: -32.250
where: short stacking energy: -27.370
Base-Backbone interact. energy: -1.795
local terms energy: -62.510079
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: 1.543
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: 4, replica: 4
=====================================
Write number: 106
Temperature: 2.050000
Total energy: -70.927992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.927992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.927992 (E_RNA)
where:
Base-Base interactions energy: -22.177
where: short stacking energy: -21.972
Base-Backbone interact. energy: -0.496
local terms energy: -48.255387
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: 5.114
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: 9
=====================================
Write number: 106
Temperature: 2.433333
Total energy: -59.406749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.406749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.406749 (E_RNA)
where:
Base-Base interactions energy: -17.238
where: short stacking energy: -16.115
Base-Backbone interact. energy: 1.926
local terms energy: -44.094517
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: 5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 106
Temperature: 2.816667
Total energy: -29.839895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.839895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.839895 (E_RNA)
where:
Base-Base interactions energy: -11.727
where: short stacking energy: -9.746
Base-Backbone interact. energy: 6.161
local terms energy: -24.273749
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -5.143
flat angles P-C4'-P energy: 1.755
tors. eta vs tors. theta energy: 10.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 106
Temperature: 3.200000
Total energy: -30.236286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.236286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.236286 (E_RNA)
where:
Base-Base interactions energy: -6.567
where: short stacking energy: -5.774
Base-Backbone interact. energy: 1.325
local terms energy: -24.994077
where:
bonds (distance) C4'-P energy: -7.252
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: 14.717
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: 8, replica: 8
=====================================
Write number: 106
Temperature: 3.583333
Total energy: -24.597014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.597014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.597014 (E_RNA)
where:
Base-Base interactions energy: -8.935
where: short stacking energy: -3.375
Base-Backbone interact. energy: 0.488
local terms energy: -16.149847
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -6.101
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: 6.519
tors. eta vs tors. theta energy: 11.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 106
Temperature: 3.966667
Total energy: -7.650640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.650640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.650640 (E_RNA)
where:
Base-Base interactions energy: -3.853
where: short stacking energy: -3.853
Base-Backbone interact. energy: -0.542
local terms energy: -3.255421
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -18.120
flat angles C4'-P-C4' energy: 12.179
flat angles P-C4'-P energy: 2.739
tors. eta vs tors. theta energy: 14.279
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: 3
=====================================
Write number: 106
Temperature: 4.350000
Total energy: -3.477121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.477121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.477121 (E_RNA)
where:
Base-Base interactions energy: -9.560
where: short stacking energy: -3.508
Base-Backbone interact. energy: 1.916
local terms energy: 4.167367
where:
bonds (distance) C4'-P energy: 0.326
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -5.179
flat angles P-C4'-P energy: 8.156
tors. eta vs tors. theta energy: 19.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -376.470963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.470963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.470963 (E_RNA)
where:
Base-Base interactions energy: -249.725
where: short stacking energy: -107.635
Base-Backbone interact. energy: -0.016
local terms energy: -126.730106
where:
bonds (distance) C4'-P energy: -25.805
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -24.953
flat angles P-C4'-P energy: -18.131
tors. eta vs tors. theta energy: -34.266
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: 2
=====================================
Write number: 107
Temperature: 1.283333
Total energy: -194.465345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.465345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.465345 (E_RNA)
where:
Base-Base interactions energy: -106.555
where: short stacking energy: -43.329
Base-Backbone interact. energy: -0.222
local terms energy: -87.688306
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -20.342
flat angles C4'-P-C4' energy: -24.067
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -12.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 107
Temperature: 1.666667
Total energy: -97.280257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.280257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.280257 (E_RNA)
where:
Base-Base interactions energy: -30.722
where: short stacking energy: -26.708
Base-Backbone interact. energy: 0.472
local terms energy: -67.031064
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: 2.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 107
Temperature: 2.050000
Total energy: -68.172432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.172432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.172432 (E_RNA)
where:
Base-Base interactions energy: -24.952
where: short stacking energy: -24.276
Base-Backbone interact. energy: 1.622
local terms energy: -44.842385
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: 10.210
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: 5, replica: 4
=====================================
Write number: 107
Temperature: 2.433333
Total energy: -45.614896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.614896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.614896 (E_RNA)
where:
Base-Base interactions energy: -4.238
where: short stacking energy: -4.238
Base-Backbone interact. energy: -0.065
local terms energy: -41.311699
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -6.232
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: 13.134
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: 7
=====================================
Write number: 107
Temperature: 2.816667
Total energy: -32.487296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.487296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.487296 (E_RNA)
where:
Base-Base interactions energy: -7.924
where: short stacking energy: -7.720
Base-Backbone interact. energy: 3.087
local terms energy: -27.651165
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -6.841
flat angles C4'-P-C4' energy: -8.265
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: 8.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 3.200000
Total energy: -27.129508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.129508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.129508 (E_RNA)
where:
Base-Base interactions energy: -6.869
where: short stacking energy: -1.756
Base-Backbone interact. energy: -0.300
local terms energy: -19.960464
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -3.408
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: 22.412
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: 6
=====================================
Write number: 107
Temperature: 3.583333
Total energy: -17.908847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.908847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.908847 (E_RNA)
where:
Base-Base interactions energy: -4.001
where: short stacking energy: -3.814
Base-Backbone interact. energy: 1.028
local terms energy: -14.936025
where:
bonds (distance) C4'-P energy: -8.871
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -7.429
flat angles P-C4'-P energy: -0.355
tors. eta vs tors. theta energy: 18.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 3.966667
Total energy: -7.675113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.675113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.675113 (E_RNA)
where:
Base-Base interactions energy: -1.661
where: short stacking energy: -2.632
Base-Backbone interact. energy: 3.818
local terms energy: -9.831659
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -5.843
flat angles P-C4'-P energy: 3.235
tors. eta vs tors. theta energy: 20.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 107
Temperature: 4.350000
Total energy: 1.039980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.039980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.039980 (E_RNA)
where:
Base-Base interactions energy: -2.673
where: short stacking energy: -2.586
Base-Backbone interact. energy: -0.928
local terms energy: 4.641745
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -6.451
flat angles C4'-P-C4' energy: 4.723
flat angles P-C4'-P energy: 13.034
tors. eta vs tors. theta energy: 12.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -380.443243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.443243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.443243 (E_RNA)
where:
Base-Base interactions energy: -258.097
where: short stacking energy: -117.407
Base-Backbone interact. energy: -0.091
local terms energy: -122.256148
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -23.516
flat angles C4'-P-C4' energy: -23.393
flat angles P-C4'-P energy: -20.291
tors. eta vs tors. theta energy: -35.628
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: 2
=====================================
Write number: 108
Temperature: 1.283333
Total energy: -224.024480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.024480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.024480 (E_RNA)
where:
Base-Base interactions energy: -155.267
where: short stacking energy: -68.403
Base-Backbone interact. energy: -0.203
local terms energy: -68.554493
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -3.079
tors. eta vs tors. theta energy: -13.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 108
Temperature: 1.666667
Total energy: -90.673020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.673020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.673020 (E_RNA)
where:
Base-Base interactions energy: -30.484
where: short stacking energy: -26.595
Base-Backbone interact. energy: -0.976
local terms energy: -59.213344
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -19.209
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: 2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 108
Temperature: 2.050000
Total energy: -68.205796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.205796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.205796 (E_RNA)
where:
Base-Base interactions energy: -16.909
where: short stacking energy: -6.598
Base-Backbone interact. energy: 1.782
local terms energy: -53.078199
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -27.206
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: 10.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 108
Temperature: 2.433333
Total energy: -45.930819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.930819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.930819 (E_RNA)
where:
Base-Base interactions energy: -3.887
where: short stacking energy: -3.860
Base-Backbone interact. energy: 0.151
local terms energy: -42.194670
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -8.625
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: 10.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 108
Temperature: 2.816667
Total energy: -30.751075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.751075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.751075 (E_RNA)
where:
Base-Base interactions energy: -8.160
where: short stacking energy: -8.160
Base-Backbone interact. energy: -0.284
local terms energy: -22.307885
where:
bonds (distance) C4'-P energy: -8.051
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -1.977
tors. eta vs tors. theta energy: 10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 108
Temperature: 3.200000
Total energy: -23.438244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.438244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.438244 (E_RNA)
where:
Base-Base interactions energy: -7.770
where: short stacking energy: -3.123
Base-Backbone interact. energy: -0.579
local terms energy: -15.089641
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -7.974
flat angles P-C4'-P energy: 2.734
tors. eta vs tors. theta energy: 18.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 108
Temperature: 3.583333
Total energy: -12.297299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.297299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.297299 (E_RNA)
where:
Base-Base interactions energy: -7.762
where: short stacking energy: 1.403
Base-Backbone interact. energy: 4.668
local terms energy: -9.203225
where:
bonds (distance) C4'-P energy: -1.868
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -0.142
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: 9, replica: 3
=====================================
Write number: 108
Temperature: 3.966667
Total energy: -12.303462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.303462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.303462 (E_RNA)
where:
Base-Base interactions energy: -2.504
where: short stacking energy: -1.995
Base-Backbone interact. energy: 2.739
local terms energy: -12.537689
where:
bonds (distance) C4'-P energy: -6.004
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -4.724
flat angles P-C4'-P energy: -2.844
tors. eta vs tors. theta energy: 17.385
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: 8
=====================================
Write number: 108
Temperature: 4.350000
Total energy: -0.794068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.794068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.794068 (E_RNA)
where:
Base-Base interactions energy: -7.567
where: short stacking energy: -6.983
Base-Backbone interact. energy: 2.020
local terms energy: 4.752288
where:
bonds (distance) C4'-P energy: 0.954
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: 6.224
flat angles P-C4'-P energy: -4.708
tors. eta vs tors. theta energy: 14.342
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: 109
Temperature: 0.900000
Total energy: -393.901512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.901512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.901512 (E_RNA)
where:
Base-Base interactions energy: -257.142
where: short stacking energy: -123.540
Base-Backbone interact. energy: 0.138
local terms energy: -136.897786
where:
bonds (distance) C4'-P energy: -26.412
bonds (distance) P-C4' energy: -28.012
flat angles C4'-P-C4' energy: -27.458
flat angles P-C4'-P energy: -17.622
tors. eta vs tors. theta energy: -37.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 109
Temperature: 1.283333
Total energy: -211.990649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.990649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.990649 (E_RNA)
where:
Base-Base interactions energy: -132.079
where: short stacking energy: -60.147
Base-Backbone interact. energy: -0.645
local terms energy: -79.267147
where:
bonds (distance) C4'-P energy: -22.462
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -19.625
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -3.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.666667
Total energy: -84.943057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.943057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.943057 (E_RNA)
where:
Base-Base interactions energy: -32.307
where: short stacking energy: -31.876
Base-Backbone interact. energy: -0.117
local terms energy: -52.519293
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: 6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 109
Temperature: 2.050000
Total energy: -69.791276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.791276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.791276 (E_RNA)
where:
Base-Base interactions energy: -26.277
where: short stacking energy: -23.844
Base-Backbone interact. energy: 0.106
local terms energy: -43.619469
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -27.284
flat angles C4'-P-C4' energy: -4.541
flat angles P-C4'-P energy: -5.768
tors. eta vs tors. theta energy: 12.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 109
Temperature: 2.433333
Total energy: -47.518499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.518499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.518499 (E_RNA)
where:
Base-Base interactions energy: -9.541
where: short stacking energy: -8.557
Base-Backbone interact. energy: -0.263
local terms energy: -37.714490
where:
bonds (distance) C4'-P energy: -6.309
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: 10.744
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: 7
=====================================
Write number: 109
Temperature: 2.816667
Total energy: -40.062360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.062360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.062360 (E_RNA)
where:
Base-Base interactions energy: -21.615
where: short stacking energy: -11.561
Base-Backbone interact. energy: -0.554
local terms energy: -17.893119
where:
bonds (distance) C4'-P energy: -7.742
bonds (distance) P-C4' energy: -10.051
flat angles C4'-P-C4' energy: -6.808
flat angles P-C4'-P energy: -3.584
tors. eta vs tors. theta energy: 10.291
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: 6
=====================================
Write number: 109
Temperature: 3.200000
Total energy: -19.526058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.526058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.526058 (E_RNA)
where:
Base-Base interactions energy: -1.925
where: short stacking energy: -2.925
Base-Backbone interact. energy: 2.499
local terms energy: -20.100052
where:
bonds (distance) C4'-P energy: -8.113
bonds (distance) P-C4' energy: -18.962
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: 3.495
tors. eta vs tors. theta energy: 14.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 109
Temperature: 3.583333
Total energy: -24.925100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.925100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.925100 (E_RNA)
where:
Base-Base interactions energy: -5.897
where: short stacking energy: -5.442
Base-Backbone interact. energy: -0.672
local terms energy: -18.356088
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -8.471
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: 6.134
tors. eta vs tors. theta energy: 12.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 109
Temperature: 3.966667
Total energy: -12.341697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.341697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.341697 (E_RNA)
where:
Base-Base interactions energy: -4.630
where: short stacking energy: -3.574
Base-Backbone interact. energy: -0.450
local terms energy: -7.261480
where:
bonds (distance) C4'-P energy: -5.406
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: 9.427
flat angles P-C4'-P energy: -3.847
tors. eta vs tors. theta energy: 8.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 109
Temperature: 4.350000
Total energy: -1.236404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.236404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.236404 (E_RNA)
where:
Base-Base interactions energy: -4.283
where: short stacking energy: -2.058
Base-Backbone interact. energy: -0.712
local terms energy: 3.759008
where:
bonds (distance) C4'-P energy: -6.800
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -5.270
flat angles P-C4'-P energy: 5.731
tors. eta vs tors. theta energy: 22.079
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: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -386.045221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.045221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.045221 (E_RNA)
where:
Base-Base interactions energy: -254.532
where: short stacking energy: -124.297
Base-Backbone interact. energy: -0.111
local terms energy: -131.402424
where:
bonds (distance) C4'-P energy: -22.847
bonds (distance) P-C4' energy: -22.958
flat angles C4'-P-C4' energy: -29.477
flat angles P-C4'-P energy: -19.653
tors. eta vs tors. theta energy: -36.467
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: 2
=====================================
Write number: 110
Temperature: 1.283333
Total energy: -201.186590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.186590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.186590 (E_RNA)
where:
Base-Base interactions energy: -113.704
where: short stacking energy: -54.386
Base-Backbone interact. energy: -1.135
local terms energy: -86.348512
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -28.378
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 110
Temperature: 1.666667
Total energy: -86.324789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.324789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.324789 (E_RNA)
where:
Base-Base interactions energy: -23.113
where: short stacking energy: -20.285
Base-Backbone interact. energy: -1.109
local terms energy: -62.102010
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -20.440
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: 8.538
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: 110
Temperature: 2.050000
Total energy: -59.571620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.571620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.571620 (E_RNA)
where:
Base-Base interactions energy: -10.432
where: short stacking energy: -10.053
Base-Backbone interact. energy: 3.619
local terms energy: -52.758598
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -20.494
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: 5.861
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: 7
=====================================
Write number: 110
Temperature: 2.433333
Total energy: -46.019861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.019861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.019861 (E_RNA)
where:
Base-Base interactions energy: -5.851
where: short stacking energy: -4.997
Base-Backbone interact. energy: 3.528
local terms energy: -43.696789
where:
bonds (distance) C4'-P energy: -22.886
bonds (distance) P-C4' energy: -8.907
flat angles C4'-P-C4' energy: -24.335
flat angles P-C4'-P energy: -3.711
tors. eta vs tors. theta energy: 16.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 110
Temperature: 2.816667
Total energy: -39.712166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.712166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.712166 (E_RNA)
where:
Base-Base interactions energy: -13.702
where: short stacking energy: -10.273
Base-Backbone interact. energy: 0.342
local terms energy: -26.352536
where:
bonds (distance) C4'-P energy: -2.641
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: 14.089
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: 3
=====================================
Write number: 110
Temperature: 3.200000
Total energy: -32.460907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.460907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.460907 (E_RNA)
where:
Base-Base interactions energy: -2.287
where: short stacking energy: -1.347
Base-Backbone interact. energy: -0.427
local terms energy: -29.746148
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -8.843
flat angles P-C4'-P energy: -6.009
tors. eta vs tors. theta energy: 15.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 110
Temperature: 3.583333
Total energy: -11.122932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.122932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.122932 (E_RNA)
where:
Base-Base interactions energy: -11.918
where: short stacking energy: -8.183
Base-Backbone interact. energy: 3.751
local terms energy: -2.956111
where:
bonds (distance) C4'-P energy: -8.305
bonds (distance) P-C4' energy: -9.605
flat angles C4'-P-C4' energy: -8.419
flat angles P-C4'-P energy: 4.026
tors. eta vs tors. theta energy: 19.347
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: 9, replica: 10
=====================================
Write number: 110
Temperature: 3.966667
Total energy: -2.341595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.341595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.341595 (E_RNA)
where:
Base-Base interactions energy: -8.380
where: short stacking energy: -8.680
Base-Backbone interact. energy: 0.762
local terms energy: 5.276433
where:
bonds (distance) C4'-P energy: -8.478
bonds (distance) P-C4' energy: -3.703
flat angles C4'-P-C4' energy: -1.646
flat angles P-C4'-P energy: 6.904
tors. eta vs tors. theta energy: 12.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 110
Temperature: 4.350000
Total energy: -14.517719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.517719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.517719 (E_RNA)
where:
Base-Base interactions energy: -6.232
where: short stacking energy: -4.086
Base-Backbone interact. energy: 9.220
local terms energy: -17.505303
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -8.786
flat angles C4'-P-C4' energy: -8.031
flat angles P-C4'-P energy: -4.603
tors. eta vs tors. theta energy: 20.527
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: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -388.774215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.774215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.774215 (E_RNA)
where:
Base-Base interactions energy: -273.760
where: short stacking energy: -126.401
Base-Backbone interact. energy: -0.727
local terms energy: -114.287010
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -20.406
flat angles C4'-P-C4' energy: -25.663
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -34.724
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: 2
=====================================
Write number: 111
Temperature: 1.283333
Total energy: -221.123842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.123842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.123842 (E_RNA)
where:
Base-Base interactions energy: -140.407
where: short stacking energy: -63.365
Base-Backbone interact. energy: -0.052
local terms energy: -80.665171
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -24.736
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 111
Temperature: 1.666667
Total energy: -88.833082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.833082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.833082 (E_RNA)
where:
Base-Base interactions energy: -22.691
where: short stacking energy: -23.514
Base-Backbone interact. energy: -1.736
local terms energy: -64.405852
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -21.689
flat angles C4'-P-C4' energy: -21.463
flat angles P-C4'-P energy: -7.108
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: 4, replica: 4
=====================================
Write number: 111
Temperature: 2.050000
Total energy: -61.604386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.604386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.604386 (E_RNA)
where:
Base-Base interactions energy: -17.225
where: short stacking energy: -14.039
Base-Backbone interact. energy: 1.582
local terms energy: -45.961060
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -20.625
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: 9.747
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: 7
=====================================
Write number: 111
Temperature: 2.433333
Total energy: -42.656826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.656826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.656826 (E_RNA)
where:
Base-Base interactions energy: -10.774
where: short stacking energy: -9.074
Base-Backbone interact. energy: 0.058
local terms energy: -31.941306
where:
bonds (distance) C4'-P energy: -6.751
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: 12.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 111
Temperature: 2.816667
Total energy: -37.135700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.135700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.135700 (E_RNA)
where:
Base-Base interactions energy: -13.296
where: short stacking energy: -10.192
Base-Backbone interact. energy: -0.436
local terms energy: -23.403385
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -18.603
flat angles C4'-P-C4' energy: 4.683
flat angles P-C4'-P energy: -0.800
tors. eta vs tors. theta energy: 8.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 111
Temperature: 3.200000
Total energy: -22.877429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.877429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.877429 (E_RNA)
where:
Base-Base interactions energy: -2.483
where: short stacking energy: -3.059
Base-Backbone interact. energy: 1.208
local terms energy: -21.602368
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -3.419
flat angles P-C4'-P energy: -6.208
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: 8, replica: 10
=====================================
Write number: 111
Temperature: 3.583333
Total energy: -21.027619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.027619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.027619 (E_RNA)
where:
Base-Base interactions energy: -9.901
where: short stacking energy: -6.275
Base-Backbone interact. energy: 2.661
local terms energy: -13.787066
where:
bonds (distance) C4'-P energy: -8.426
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -0.333
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: 10.788
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: 6
=====================================
Write number: 111
Temperature: 3.966667
Total energy: -17.719132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.719132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.719132 (E_RNA)
where:
Base-Base interactions energy: 0.454
where: short stacking energy: 0.536
Base-Backbone interact. energy: 0.790
local terms energy: -18.964040
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: 2.936
flat angles P-C4'-P energy: -3.058
tors. eta vs tors. theta energy: 13.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 111
Temperature: 4.350000
Total energy: -3.264765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.264765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.264765 (E_RNA)
where:
Base-Base interactions energy: 2.327
where: short stacking energy: 2.608
Base-Backbone interact. energy: 6.744
local terms energy: -12.335757
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: 7.124
flat angles P-C4'-P energy: -2.980
tors. eta vs tors. theta energy: 12.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -393.785185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.785185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.785185 (E_RNA)
where:
Base-Base interactions energy: -265.342
where: short stacking energy: -124.925
Base-Backbone interact. energy: -0.369
local terms energy: -128.074799
where:
bonds (distance) C4'-P energy: -27.318
bonds (distance) P-C4' energy: -21.029
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -19.964
tors. eta vs tors. theta energy: -35.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 112
Temperature: 1.283333
Total energy: -203.286344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.286344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.286344 (E_RNA)
where:
Base-Base interactions energy: -115.557
where: short stacking energy: -59.134
Base-Backbone interact. energy: 0.473
local terms energy: -88.202572
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -12.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 112
Temperature: 1.666667
Total energy: -90.248712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.248712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.248712 (E_RNA)
where:
Base-Base interactions energy: -24.644
where: short stacking energy: -22.213
Base-Backbone interact. energy: 0.718
local terms energy: -66.322387
where:
bonds (distance) C4'-P energy: -20.438
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -20.594
tors. eta vs tors. theta energy: 9.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 112
Temperature: 2.050000
Total energy: -62.567148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.567148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.567148 (E_RNA)
where:
Base-Base interactions energy: -20.486
where: short stacking energy: -18.511
Base-Backbone interact. energy: 2.183
local terms energy: -44.264481
where:
bonds (distance) C4'-P energy: -17.950
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: 0.332
tors. eta vs tors. theta energy: 8.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 112
Temperature: 2.433333
Total energy: -40.425362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.425362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.425362 (E_RNA)
where:
Base-Base interactions energy: -7.147
where: short stacking energy: -6.317
Base-Backbone interact. energy: 4.442
local terms energy: -37.720376
where:
bonds (distance) C4'-P energy: -19.868
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -0.077
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: 10.957
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: 7
=====================================
Write number: 112
Temperature: 2.816667
Total energy: -38.104144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.104144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.104144 (E_RNA)
where:
Base-Base interactions energy: -6.409
where: short stacking energy: -4.657
Base-Backbone interact. energy: -0.145
local terms energy: -31.550096
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -3.621
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: 12.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 112
Temperature: 3.200000
Total energy: -19.816598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.816598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.816598 (E_RNA)
where:
Base-Base interactions energy: -4.689
where: short stacking energy: 0.000
Base-Backbone interact. energy: 1.418
local terms energy: -16.546315
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -10.036
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: 2.499
tors. eta vs tors. theta energy: 15.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 112
Temperature: 3.583333
Total energy: -18.756000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.756000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.756000 (E_RNA)
where:
Base-Base interactions energy: -5.852
where: short stacking energy: -5.912
Base-Backbone interact. energy: 14.460
local terms energy: -27.363543
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: 3.097
tors. eta vs tors. theta energy: 13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 112
Temperature: 3.966667
Total energy: -11.932823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.932823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.932823 (E_RNA)
where:
Base-Base interactions energy: -11.140
where: short stacking energy: -7.439
Base-Backbone interact. energy: 2.165
local terms energy: -2.957718
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -8.772
flat angles C4'-P-C4' energy: -7.140
flat angles P-C4'-P energy: 8.829
tors. eta vs tors. theta energy: 15.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 4.350000
Total energy: 4.685168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4.685168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 4.685168 (E_RNA)
where:
Base-Base interactions energy: -1.017
where: short stacking energy: -0.072
Base-Backbone interact. energy: 3.243
local terms energy: 2.459554
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: 14.451
flat angles P-C4'-P energy: 3.957
tors. eta vs tors. theta energy: 10.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -389.313393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.313393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.313393 (E_RNA)
where:
Base-Base interactions energy: -257.286
where: short stacking energy: -123.149
Base-Backbone interact. energy: -0.374
local terms energy: -131.653213
where:
bonds (distance) C4'-P energy: -27.886
bonds (distance) P-C4' energy: -25.940
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -17.666
tors. eta vs tors. theta energy: -37.774
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: 2, replica: 2
=====================================
Write number: 113
Temperature: 1.283333
Total energy: -183.244723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.244723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.244723 (E_RNA)
where:
Base-Base interactions energy: -100.157
where: short stacking energy: -55.114
Base-Backbone interact. energy: -1.199
local terms energy: -81.889357
where:
bonds (distance) C4'-P energy: -21.709
bonds (distance) P-C4' energy: -27.510
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 113
Temperature: 1.666667
Total energy: -95.606013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.606013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.606013 (E_RNA)
where:
Base-Base interactions energy: -24.020
where: short stacking energy: -20.442
Base-Backbone interact. energy: -0.991
local terms energy: -70.595545
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -27.290
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: 1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 113
Temperature: 2.050000
Total energy: -59.506536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.506536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.506536 (E_RNA)
where:
Base-Base interactions energy: -9.907
where: short stacking energy: -3.915
Base-Backbone interact. energy: -0.282
local terms energy: -49.317272
where:
bonds (distance) C4'-P energy: -7.574
bonds (distance) P-C4' energy: -23.505
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: 11.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 113
Temperature: 2.433333
Total energy: -47.308166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.308166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.308166 (E_RNA)
where:
Base-Base interactions energy: -0.917
where: short stacking energy: 0.440
Base-Backbone interact. energy: -0.686
local terms energy: -45.705714
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: 13.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 113
Temperature: 2.816667
Total energy: -38.621614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.621614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.621614 (E_RNA)
where:
Base-Base interactions energy: -15.348
where: short stacking energy: -15.348
Base-Backbone interact. energy: 1.983
local terms energy: -25.256281
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -7.360
flat angles P-C4'-P energy: 5.821
tors. eta vs tors. theta energy: 4.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 113
Temperature: 3.200000
Total energy: -23.426624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.426624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.426624 (E_RNA)
where:
Base-Base interactions energy: -8.084
where: short stacking energy: -2.083
Base-Backbone interact. energy: 1.519
local terms energy: -16.861270
where:
bonds (distance) C4'-P energy: -5.236
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -2.021
flat angles P-C4'-P energy: -4.065
tors. eta vs tors. theta energy: 11.794
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: 113
Temperature: 3.583333
Total energy: -11.670836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.670836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.670836 (E_RNA)
where:
Base-Base interactions energy: -7.566
where: short stacking energy: -7.446
Base-Backbone interact. energy: -0.874
local terms energy: -3.231451
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: 6.867
flat angles P-C4'-P energy: -0.392
tors. eta vs tors. theta energy: 18.117
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: 8
=====================================
Write number: 113
Temperature: 3.966667
Total energy: -6.771040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.771040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.771040 (E_RNA)
where:
Base-Base interactions energy: -13.680
where: short stacking energy: -7.057
Base-Backbone interact. energy: 2.634
local terms energy: 4.274383
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -4.220
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: 15.429
tors. eta vs tors. theta energy: 15.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 4.350000
Total energy: -8.419663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.419663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.419663 (E_RNA)
where:
Base-Base interactions energy: -0.208
where: short stacking energy: -2.366
Base-Backbone interact. energy: 5.388
local terms energy: -13.599498
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -7.557
flat angles C4'-P-C4' energy: -7.928
flat angles P-C4'-P energy: -0.769
tors. eta vs tors. theta energy: 15.931
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: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -370.159212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.159212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.159212 (E_RNA)
where:
Base-Base interactions energy: -245.951
where: short stacking energy: -116.966
Base-Backbone interact. energy: -0.570
local terms energy: -123.638239
where:
bonds (distance) C4'-P energy: -23.092
bonds (distance) P-C4' energy: -26.901
flat angles C4'-P-C4' energy: -25.480
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -35.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 114
Temperature: 1.283333
Total energy: -170.489977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.489977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.489977 (E_RNA)
where:
Base-Base interactions energy: -89.238
where: short stacking energy: -38.936
Base-Backbone interact. energy: -0.245
local terms energy: -81.006932
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -23.868
flat angles C4'-P-C4' energy: -25.664
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -4.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.666667
Total energy: -78.859897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.859897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.859897 (E_RNA)
where:
Base-Base interactions energy: -20.363
where: short stacking energy: -21.696
Base-Backbone interact. energy: -0.071
local terms energy: -58.425209
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: 5.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 114
Temperature: 2.050000
Total energy: -71.812961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.812961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.812961 (E_RNA)
where:
Base-Base interactions energy: -25.098
where: short stacking energy: -25.055
Base-Backbone interact. energy: -0.383
local terms energy: -46.331734
where:
bonds (distance) C4'-P energy: -9.794
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: 6.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 114
Temperature: 2.433333
Total energy: -44.361894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.361894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.361894 (E_RNA)
where:
Base-Base interactions energy: -19.162
where: short stacking energy: -18.524
Base-Backbone interact. energy: 9.181
local terms energy: -34.380994
where:
bonds (distance) C4'-P energy: -3.792
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: 11.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 114
Temperature: 2.816667
Total energy: -29.118777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.118777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.118777 (E_RNA)
where:
Base-Base interactions energy: -15.349
where: short stacking energy: -8.395
Base-Backbone interact. energy: 0.992
local terms energy: -14.761574
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: 1.393
flat angles P-C4'-P energy: -0.289
tors. eta vs tors. theta energy: 11.148
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: 10
=====================================
Write number: 114
Temperature: 3.200000
Total energy: -25.414127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.414127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.414127 (E_RNA)
where:
Base-Base interactions energy: -2.440
where: short stacking energy: 0.295
Base-Backbone interact. energy: 1.714
local terms energy: -24.687215
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -20.329
flat angles C4'-P-C4' energy: -6.922
flat angles P-C4'-P energy: 1.149
tors. eta vs tors. theta energy: 12.907
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: 7
=====================================
Write number: 114
Temperature: 3.583333
Total energy: -24.592432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.592432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.592432 (E_RNA)
where:
Base-Base interactions energy: -6.218
where: short stacking energy: -6.618
Base-Backbone interact. energy: 1.134
local terms energy: -19.508471
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -27.428
flat angles C4'-P-C4' energy: 2.731
flat angles P-C4'-P energy: 7.474
tors. eta vs tors. theta energy: 16.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 114
Temperature: 3.966667
Total energy: -8.158628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.158628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.158628 (E_RNA)
where:
Base-Base interactions energy: -13.060
where: short stacking energy: -9.242
Base-Backbone interact. energy: 2.106
local terms energy: 2.795604
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: 3.157
flat angles P-C4'-P energy: 4.575
tors. eta vs tors. theta energy: 18.827
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: 8
=====================================
Write number: 114
Temperature: 4.350000
Total energy: 5.512038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 5.512038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 5.512038 (E_RNA)
where:
Base-Base interactions energy: -7.582
where: short stacking energy: -9.382
Base-Backbone interact. energy: 2.496
local terms energy: 10.598433
where:
bonds (distance) C4'-P energy: -0.219
bonds (distance) P-C4' energy: -8.369
flat angles C4'-P-C4' energy: -4.111
flat angles P-C4'-P energy: 7.608
tors. eta vs tors. theta energy: 15.689
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: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -382.043642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.043642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.043642 (E_RNA)
where:
Base-Base interactions energy: -256.298
where: short stacking energy: -122.390
Base-Backbone interact. energy: -0.881
local terms energy: -124.864831
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -27.748
flat angles C4'-P-C4' energy: -27.164
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -35.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 115
Temperature: 1.283333
Total energy: -168.239617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.239617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.239617 (E_RNA)
where:
Base-Base interactions energy: -99.728
where: short stacking energy: -56.019
Base-Backbone interact. energy: -0.480
local terms energy: -68.031319
where:
bonds (distance) C4'-P energy: -20.688
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: 1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 115
Temperature: 1.666667
Total energy: -77.204060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.204060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.204060 (E_RNA)
where:
Base-Base interactions energy: -24.690
where: short stacking energy: -22.806
Base-Backbone interact. energy: -2.370
local terms energy: -50.144276
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: 6.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 115
Temperature: 2.050000
Total energy: -65.102255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.102255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.102255 (E_RNA)
where:
Base-Base interactions energy: -19.774
where: short stacking energy: -19.687
Base-Backbone interact. energy: 0.184
local terms energy: -45.511734
where:
bonds (distance) C4'-P energy: -25.624
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -2.538
tors. eta vs tors. theta energy: 9.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 115
Temperature: 2.433333
Total energy: -50.981854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.981854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.981854 (E_RNA)
where:
Base-Base interactions energy: -6.058
where: short stacking energy: -4.034
Base-Backbone interact. energy: 0.187
local terms energy: -45.110405
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -8.526
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: 11.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 115
Temperature: 2.816667
Total energy: -31.918803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.918803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.918803 (E_RNA)
where:
Base-Base interactions energy: -4.960
where: short stacking energy: -3.266
Base-Backbone interact. energy: -0.724
local terms energy: -26.234892
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -19.183
flat angles C4'-P-C4' energy: -7.440
flat angles P-C4'-P energy: -1.358
tors. eta vs tors. theta energy: 10.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 115
Temperature: 3.200000
Total energy: -27.302974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.302974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.302974 (E_RNA)
where:
Base-Base interactions energy: -1.467
where: short stacking energy: -4.867
Base-Backbone interact. energy: -0.892
local terms energy: -24.944666
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -23.301
flat angles C4'-P-C4' energy: 3.718
flat angles P-C4'-P energy: 6.512
tors. eta vs tors. theta energy: 7.865
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: 115
Temperature: 3.583333
Total energy: -13.572069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.572069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.572069 (E_RNA)
where:
Base-Base interactions energy: -5.912
where: short stacking energy: -3.765
Base-Backbone interact. energy: 1.272
local terms energy: -8.932126
where:
bonds (distance) C4'-P energy: -4.544
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -9.109
flat angles P-C4'-P energy: 0.313
tors. eta vs tors. theta energy: 18.726
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: 7
=====================================
Write number: 115
Temperature: 3.966667
Total energy: -11.558951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.558951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.558951 (E_RNA)
where:
Base-Base interactions energy: -0.311
where: short stacking energy: 2.600
Base-Backbone interact. energy: -0.596
local terms energy: -10.651491
where:
bonds (distance) C4'-P energy: -5.084
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -3.582
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: 16.417
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: 8
=====================================
Write number: 115
Temperature: 4.350000
Total energy: -4.045040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.045040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.045040 (E_RNA)
where:
Base-Base interactions energy: -4.141
where: short stacking energy: -4.141
Base-Backbone interact. energy: -0.266
local terms energy: 0.362178
where:
bonds (distance) C4'-P energy: -6.339
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: 8.090
flat angles P-C4'-P energy: -3.125
tors. eta vs tors. theta energy: 15.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -387.020018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.020018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.020018 (E_RNA)
where:
Base-Base interactions energy: -265.104
where: short stacking energy: -128.095
Base-Backbone interact. energy: -0.208
local terms energy: -121.708402
where:
bonds (distance) C4'-P energy: -21.406
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -24.583
flat angles P-C4'-P energy: -18.805
tors. eta vs tors. theta energy: -37.272
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: 2
=====================================
Write number: 116
Temperature: 1.283333
Total energy: -141.709068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.709068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.709068 (E_RNA)
where:
Base-Base interactions energy: -71.886
where: short stacking energy: -49.429
Base-Backbone interact. energy: 0.990
local terms energy: -70.812826
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -24.992
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: 0.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.666667
Total energy: -85.965431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.965431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.965431 (E_RNA)
where:
Base-Base interactions energy: -20.311
where: short stacking energy: -19.112
Base-Backbone interact. energy: -0.155
local terms energy: -65.500014
where:
bonds (distance) C4'-P energy: -23.478
bonds (distance) P-C4' energy: -22.869
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: 7.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 116
Temperature: 2.050000
Total energy: -61.385624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.385624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.385624 (E_RNA)
where:
Base-Base interactions energy: -17.452
where: short stacking energy: -14.456
Base-Backbone interact. energy: 1.613
local terms energy: -45.546640
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -20.286
flat angles C4'-P-C4' energy: -4.175
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: 7.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 116
Temperature: 2.433333
Total energy: -40.067879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.067879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.067879 (E_RNA)
where:
Base-Base interactions energy: -6.754
where: short stacking energy: -6.754
Base-Backbone interact. energy: 3.354
local terms energy: -36.668073
where:
bonds (distance) C4'-P energy: -20.196
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -1.741
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: 6.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 116
Temperature: 2.816667
Total energy: -43.266714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.266714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.266714 (E_RNA)
where:
Base-Base interactions energy: -7.553
where: short stacking energy: -7.146
Base-Backbone interact. energy: 1.283
local terms energy: -36.996398
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: 11.665
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: 7, replica: 6
=====================================
Write number: 116
Temperature: 3.200000
Total energy: -21.225834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.225834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.225834 (E_RNA)
where:
Base-Base interactions energy: -0.671
where: short stacking energy: -0.671
Base-Backbone interact. energy: 1.217
local terms energy: -21.771852
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: 4.418
tors. eta vs tors. theta energy: 14.080
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: 10
=====================================
Write number: 116
Temperature: 3.583333
Total energy: -21.439088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.439088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.439088 (E_RNA)
where:
Base-Base interactions energy: 0.300
where: short stacking energy: 0.300
Base-Backbone interact. energy: 3.853
local terms energy: -25.591701
where:
bonds (distance) C4'-P energy: -1.460
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -6.661
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: 12.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 116
Temperature: 3.966667
Total energy: -11.884134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.884134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.884134 (E_RNA)
where:
Base-Base interactions energy: -15.283
where: short stacking energy: -8.645
Base-Backbone interact. energy: 2.440
local terms energy: 0.959153
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: 0.046
flat angles C4'-P-C4' energy: -4.611
flat angles P-C4'-P energy: -3.155
tors. eta vs tors. theta energy: 20.192
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: 7
=====================================
Write number: 116
Temperature: 4.350000
Total energy: -8.044413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.044413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.044413 (E_RNA)
where:
Base-Base interactions energy: -1.644
where: short stacking energy: -1.981
Base-Backbone interact. energy: -0.408
local terms energy: -5.992296
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: 10.702
tors. eta vs tors. theta energy: 21.508
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: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -385.318175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.318175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.318175 (E_RNA)
where:
Base-Base interactions energy: -262.824
where: short stacking energy: -119.617
Base-Backbone interact. energy: -0.685
local terms energy: -121.809451
where:
bonds (distance) C4'-P energy: -23.042
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -24.558
flat angles P-C4'-P energy: -16.999
tors. eta vs tors. theta energy: -34.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 117
Temperature: 1.283333
Total energy: -152.504287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.504287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.504287 (E_RNA)
where:
Base-Base interactions energy: -76.249
where: short stacking energy: -50.990
Base-Backbone interact. energy: -0.287
local terms energy: -75.968431
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -28.739
flat angles C4'-P-C4' energy: -22.886
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: 0.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 117
Temperature: 1.666667
Total energy: -82.236101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.236101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.236101 (E_RNA)
where:
Base-Base interactions energy: -23.848
where: short stacking energy: -25.193
Base-Backbone interact. energy: -0.938
local terms energy: -57.449676
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: 4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 117
Temperature: 2.050000
Total energy: -58.348804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.348804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.348804 (E_RNA)
where:
Base-Base interactions energy: -18.022
where: short stacking energy: -8.571
Base-Backbone interact. energy: 0.409
local terms energy: -40.736491
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -8.428
flat angles P-C4'-P energy: -2.131
tors. eta vs tors. theta energy: 4.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 117
Temperature: 2.433333
Total energy: -39.554375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.554375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.554375 (E_RNA)
where:
Base-Base interactions energy: -2.953
where: short stacking energy: -2.219
Base-Backbone interact. energy: -0.964
local terms energy: -35.637621
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -5.253
tors. eta vs tors. theta energy: 12.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 117
Temperature: 2.816667
Total energy: -38.375692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.375692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.375692 (E_RNA)
where:
Base-Base interactions energy: -8.662
where: short stacking energy: -6.868
Base-Backbone interact. energy: -0.351
local terms energy: -29.363125
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -5.825
flat angles P-C4'-P energy: -4.629
tors. eta vs tors. theta energy: 7.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 117
Temperature: 3.200000
Total energy: -23.391839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.391839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.391839 (E_RNA)
where:
Base-Base interactions energy: -14.884
where: short stacking energy: -15.084
Base-Backbone interact. energy: 5.126
local terms energy: -13.634172
where:
bonds (distance) C4'-P energy: -5.332
bonds (distance) P-C4' energy: -8.170
flat angles C4'-P-C4' energy: -1.579
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: 10.137
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: 117
Temperature: 3.583333
Total energy: -14.483720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.483720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.483720 (E_RNA)
where:
Base-Base interactions energy: -4.837
where: short stacking energy: -2.993
Base-Backbone interact. energy: -0.662
local terms energy: -8.984891
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -9.568
flat angles C4'-P-C4' energy: 0.214
flat angles P-C4'-P energy: 2.233
tors. eta vs tors. theta energy: 8.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 117
Temperature: 3.966667
Total energy: -22.688345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.688345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.688345 (E_RNA)
where:
Base-Base interactions energy: -0.095
where: short stacking energy: 1.440
Base-Backbone interact. energy: -0.547
local terms energy: -22.046349
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -4.068
flat angles P-C4'-P energy: -0.946
tors. eta vs tors. theta energy: 11.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 117
Temperature: 4.350000
Total energy: -4.639180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.639180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.639180 (E_RNA)
where:
Base-Base interactions energy: -3.162
where: short stacking energy: -3.762
Base-Backbone interact. energy: 1.785
local terms energy: -3.261875
where:
bonds (distance) C4'-P energy: -2.990
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: 1.863
flat angles P-C4'-P energy: -1.732
tors. eta vs tors. theta energy: 13.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -385.212440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.212440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.212440 (E_RNA)
where:
Base-Base interactions energy: -254.128
where: short stacking energy: -115.795
Base-Backbone interact. energy: -1.267
local terms energy: -129.817755
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -29.089
flat angles C4'-P-C4' energy: -24.708
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -37.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 118
Temperature: 1.283333
Total energy: -164.691912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.691912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.691912 (E_RNA)
where:
Base-Base interactions energy: -92.700
where: short stacking energy: -50.261
Base-Backbone interact. energy: 0.941
local terms energy: -72.932093
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 118
Temperature: 1.666667
Total energy: -99.720967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.720967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.720967 (E_RNA)
where:
Base-Base interactions energy: -28.863
where: short stacking energy: -24.291
Base-Backbone interact. energy: -0.236
local terms energy: -70.621556
where:
bonds (distance) C4'-P energy: -23.889
bonds (distance) P-C4' energy: -23.758
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: 4.969
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: 118
Temperature: 2.050000
Total energy: -66.320036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.320036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.320036 (E_RNA)
where:
Base-Base interactions energy: -17.007
where: short stacking energy: -16.032
Base-Backbone interact. energy: -0.573
local terms energy: -48.740324
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -19.779
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: 7.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 118
Temperature: 2.433333
Total energy: -53.904682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.904682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.904682 (E_RNA)
where:
Base-Base interactions energy: -13.919
where: short stacking energy: -12.370
Base-Backbone interact. energy: -0.583
local terms energy: -39.402001
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: 3.821
tors. eta vs tors. theta energy: 3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 118
Temperature: 2.816667
Total energy: -41.044192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.044192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.044192 (E_RNA)
where:
Base-Base interactions energy: -6.580
where: short stacking energy: -6.580
Base-Backbone interact. energy: 1.253
local terms energy: -35.716762
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -6.543
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: 14.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 118
Temperature: 3.200000
Total energy: -27.441228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.441228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.441228 (E_RNA)
where:
Base-Base interactions energy: -2.427
where: short stacking energy: -3.027
Base-Backbone interact. energy: 2.630
local terms energy: -27.644957
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -2.143
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: 9.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 3.583333
Total energy: -22.520940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.520940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.520940 (E_RNA)
where:
Base-Base interactions energy: -7.819
where: short stacking energy: -7.420
Base-Backbone interact. energy: 0.158
local terms energy: -14.860509
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -1.778
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: 3.058
tors. eta vs tors. theta energy: 12.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 118
Temperature: 3.966667
Total energy: -16.003886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.003886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.003886 (E_RNA)
where:
Base-Base interactions energy: -4.289
where: short stacking energy: -4.099
Base-Backbone interact. energy: 0.145
local terms energy: -11.860502
where:
bonds (distance) C4'-P energy: -7.579
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -5.365
flat angles P-C4'-P energy: -1.593
tors. eta vs tors. theta energy: 14.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 118
Temperature: 4.350000
Total energy: 0.660792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.660792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.660792 (E_RNA)
where:
Base-Base interactions energy: -5.855
where: short stacking energy: -3.307
Base-Backbone interact. energy: 4.352
local terms energy: 2.164211
where:
bonds (distance) C4'-P energy: -5.203
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: 2.929
flat angles P-C4'-P energy: -2.423
tors. eta vs tors. theta energy: 21.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -373.151532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.151532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.151532 (E_RNA)
where:
Base-Base interactions energy: -252.639
where: short stacking energy: -115.924
Base-Backbone interact. energy: -0.008
local terms energy: -120.503895
where:
bonds (distance) C4'-P energy: -25.510
bonds (distance) P-C4' energy: -20.572
flat angles C4'-P-C4' energy: -25.874
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -33.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 1.283333
Total energy: -187.107079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.107079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.107079 (E_RNA)
where:
Base-Base interactions energy: -110.324
where: short stacking energy: -63.374
Base-Backbone interact. energy: -0.513
local terms energy: -76.270272
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -9.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 119
Temperature: 1.666667
Total energy: -86.656449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.656449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.656449 (E_RNA)
where:
Base-Base interactions energy: -25.161
where: short stacking energy: -22.783
Base-Backbone interact. energy: -0.333
local terms energy: -61.162219
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -26.406
flat angles P-C4'-P energy: 3.701
tors. eta vs tors. theta energy: -3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 119
Temperature: 2.050000
Total energy: -56.531616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.531616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.531616 (E_RNA)
where:
Base-Base interactions energy: -16.727
where: short stacking energy: -16.375
Base-Backbone interact. energy: -0.912
local terms energy: -38.892611
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -20.192
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -3.678
tors. eta vs tors. theta energy: 12.504
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: 9
=====================================
Write number: 119
Temperature: 2.433333
Total energy: -47.156309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.156309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.156309 (E_RNA)
where:
Base-Base interactions energy: -18.551
where: short stacking energy: -18.551
Base-Backbone interact. energy: 0.688
local terms energy: -29.293305
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: 4.967
tors. eta vs tors. theta energy: 5.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 119
Temperature: 2.816667
Total energy: -33.227252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.227252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.227252 (E_RNA)
where:
Base-Base interactions energy: -6.494
where: short stacking energy: -5.865
Base-Backbone interact. energy: 0.632
local terms energy: -27.365249
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -8.294
flat angles P-C4'-P energy: 2.399
tors. eta vs tors. theta energy: 12.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 119
Temperature: 3.200000
Total energy: -21.483418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.483418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.483418 (E_RNA)
where:
Base-Base interactions energy: -4.970
where: short stacking energy: -2.798
Base-Backbone interact. energy: 6.136
local terms energy: -22.649969
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -1.861
flat angles P-C4'-P energy: -4.143
tors. eta vs tors. theta energy: 11.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 119
Temperature: 3.583333
Total energy: -13.151242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.151242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.151242 (E_RNA)
where:
Base-Base interactions energy: -11.056
where: short stacking energy: -8.284
Base-Backbone interact. energy: -2.047
local terms energy: -0.048011
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: 1.224
flat angles C4'-P-C4' energy: -4.362
flat angles P-C4'-P energy: 2.291
tors. eta vs tors. theta energy: 16.079
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: 9, replica: 6
=====================================
Write number: 119
Temperature: 3.966667
Total energy: -16.996975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.996975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.996975 (E_RNA)
where:
Base-Base interactions energy: -4.480
where: short stacking energy: 0.000
Base-Backbone interact. energy: 3.959
local terms energy: -16.475617
where:
bonds (distance) C4'-P energy: -21.085
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: 3.935
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: 20.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 119
Temperature: 4.350000
Total energy: 6.005879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 6.005879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 6.005879 (E_RNA)
where:
Base-Base interactions energy: -1.361
where: short stacking energy: 0.714
Base-Backbone interact. energy: 0.125
local terms energy: 7.241351
where:
bonds (distance) C4'-P energy: -5.863
bonds (distance) P-C4' energy: -5.853
flat angles C4'-P-C4' energy: -6.381
flat angles P-C4'-P energy: 9.263
tors. eta vs tors. theta energy: 16.076
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: 120
Temperature: 0.900000
Total energy: -372.529693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.529693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.529693 (E_RNA)
where:
Base-Base interactions energy: -253.664
where: short stacking energy: -104.964
Base-Backbone interact. energy: -0.143
local terms energy: -118.722844
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -20.764
flat angles C4'-P-C4' energy: -24.788
flat angles P-C4'-P energy: -18.530
tors. eta vs tors. theta energy: -32.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 120
Temperature: 1.283333
Total energy: -134.462501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.462501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.462501 (E_RNA)
where:
Base-Base interactions energy: -47.880
where: short stacking energy: -44.705
Base-Backbone interact. energy: -0.146
local terms energy: -86.437049
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -23.504
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -9.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 120
Temperature: 1.666667
Total energy: -97.883303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.883303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.883303 (E_RNA)
where:
Base-Base interactions energy: -28.416
where: short stacking energy: -17.772
Base-Backbone interact. energy: 1.486
local terms energy: -70.952718
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -24.637
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: 9.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 120
Temperature: 2.050000
Total energy: -61.072147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.072147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.072147 (E_RNA)
where:
Base-Base interactions energy: -3.484
where: short stacking energy: 1.491
Base-Backbone interact. energy: 2.661
local terms energy: -60.249247
where:
bonds (distance) C4'-P energy: -21.633
bonds (distance) P-C4' energy: -23.950
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -1.202
tors. eta vs tors. theta energy: 6.959
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: 8
=====================================
Write number: 120
Temperature: 2.433333
Total energy: -46.986300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.986300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.986300 (E_RNA)
where:
Base-Base interactions energy: -18.900
where: short stacking energy: -15.976
Base-Backbone interact. energy: -0.209
local terms energy: -27.877294
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -6.910
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: 8.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 120
Temperature: 2.816667
Total energy: -37.835795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.835795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.835795 (E_RNA)
where:
Base-Base interactions energy: -11.561
where: short stacking energy: -8.747
Base-Backbone interact. energy: 2.290
local terms energy: -28.564986
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -9.581
flat angles P-C4'-P energy: -1.912
tors. eta vs tors. theta energy: 14.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 120
Temperature: 3.200000
Total energy: -20.692376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.692376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.692376 (E_RNA)
where:
Base-Base interactions energy: 0.449
where: short stacking energy: -1.251
Base-Backbone interact. energy: -0.022
local terms energy: -21.118665
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -4.317
flat angles P-C4'-P energy: -0.702
tors. eta vs tors. theta energy: 10.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 120
Temperature: 3.583333
Total energy: -15.177884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.177884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.177884 (E_RNA)
where:
Base-Base interactions energy: -4.070
where: short stacking energy: -2.107
Base-Backbone interact. energy: 0.652
local terms energy: -11.759140
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -8.426
flat angles P-C4'-P energy: 4.542
tors. eta vs tors. theta energy: 19.952
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: 7
=====================================
Write number: 120
Temperature: 3.966667
Total energy: -9.766314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.766314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.766314 (E_RNA)
where:
Base-Base interactions energy: -3.034
where: short stacking energy: -3.551
Base-Backbone interact. energy: 3.385
local terms energy: -10.118043
where:
bonds (distance) C4'-P energy: -0.093
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -0.271
tors. eta vs tors. theta energy: 16.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 120
Temperature: 4.350000
Total energy: -7.846845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.846845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.846845 (E_RNA)
where:
Base-Base interactions energy: -1.435
where: short stacking energy: -2.667
Base-Backbone interact. energy: 0.371
local terms energy: -6.782820
where:
bonds (distance) C4'-P energy: -8.631
bonds (distance) P-C4' energy: -0.042
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -3.944
tors. eta vs tors. theta energy: 17.825
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: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -367.011449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.011449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.011449 (E_RNA)
where:
Base-Base interactions energy: -246.853
where: short stacking energy: -112.494
Base-Backbone interact. energy: -0.152
local terms energy: -120.006923
where:
bonds (distance) C4'-P energy: -24.955
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -28.101
flat angles P-C4'-P energy: -19.962
tors. eta vs tors. theta energy: -30.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 121
Temperature: 1.283333
Total energy: -127.627535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.627535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.627535 (E_RNA)
where:
Base-Base interactions energy: -45.603
where: short stacking energy: -41.626
Base-Backbone interact. energy: -0.619
local terms energy: -81.404914
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -24.999
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -5.343
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: 3, replica: 5
=====================================
Write number: 121
Temperature: 1.666667
Total energy: -91.608762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.608762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.608762 (E_RNA)
where:
Base-Base interactions energy: -21.511
where: short stacking energy: -18.680
Base-Backbone interact. energy: -0.541
local terms energy: -69.556848
where:
bonds (distance) C4'-P energy: -24.847
bonds (distance) P-C4' energy: -22.707
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -17.075
tors. eta vs tors. theta energy: 8.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 121
Temperature: 2.050000
Total energy: -57.225070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.225070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.225070 (E_RNA)
where:
Base-Base interactions energy: -11.624
where: short stacking energy: -11.315
Base-Backbone interact. energy: -0.262
local terms energy: -45.338483
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -5.058
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: 4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 121
Temperature: 2.433333
Total energy: -46.173526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.173526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.173526 (E_RNA)
where:
Base-Base interactions energy: -20.843
where: short stacking energy: -19.693
Base-Backbone interact. energy: 5.094
local terms energy: -30.424539
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -4.428
flat angles P-C4'-P energy: 1.057
tors. eta vs tors. theta energy: 4.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 121
Temperature: 2.816667
Total energy: -37.100042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.100042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.100042 (E_RNA)
where:
Base-Base interactions energy: -2.925
where: short stacking energy: -2.523
Base-Backbone interact. energy: 0.748
local terms energy: -34.923069
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -4.655
flat angles P-C4'-P energy: -9.900
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: 7, replica: 9
=====================================
Write number: 121
Temperature: 3.200000
Total energy: -21.465975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.465975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.465975 (E_RNA)
where:
Base-Base interactions energy: -5.493
where: short stacking energy: -5.493
Base-Backbone interact. energy: 1.421
local terms energy: -17.393416
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -2.066
flat angles P-C4'-P energy: -5.360
tors. eta vs tors. theta energy: 15.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 121
Temperature: 3.583333
Total energy: -23.007813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.007813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.007813 (E_RNA)
where:
Base-Base interactions energy: -3.885
where: short stacking energy: -1.428
Base-Backbone interact. energy: 1.998
local terms energy: -21.121105
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: 1.118
flat angles P-C4'-P energy: 0.926
tors. eta vs tors. theta energy: 11.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 121
Temperature: 3.966667
Total energy: -7.297497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.297497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.297497 (E_RNA)
where:
Base-Base interactions energy: -7.125
where: short stacking energy: -2.860
Base-Backbone interact. energy: -0.337
local terms energy: 0.165064
where:
bonds (distance) C4'-P energy: -3.863
bonds (distance) P-C4' energy: -18.056
flat angles C4'-P-C4' energy: 0.861
flat angles P-C4'-P energy: 3.469
tors. eta vs tors. theta energy: 17.754
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: 121
Temperature: 4.350000
Total energy: 5.392974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 5.392974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 5.392974 (E_RNA)
where:
Base-Base interactions energy: -8.174
where: short stacking energy: 0.000
Base-Backbone interact. energy: 0.899
local terms energy: 12.668136
where:
bonds (distance) C4'-P energy: -7.910
bonds (distance) P-C4' energy: -0.905
flat angles C4'-P-C4' energy: 0.650
flat angles P-C4'-P energy: -0.124
tors. eta vs tors. theta energy: 20.958
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: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -388.300669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.300669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.300669 (E_RNA)
where:
Base-Base interactions energy: -264.043
where: short stacking energy: -126.930
Base-Backbone interact. energy: -0.417
local terms energy: -123.840253
where:
bonds (distance) C4'-P energy: -22.047
bonds (distance) P-C4' energy: -24.315
flat angles C4'-P-C4' energy: -26.921
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -37.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 122
Temperature: 1.283333
Total energy: -149.592218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.592218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.592218 (E_RNA)
where:
Base-Base interactions energy: -61.300
where: short stacking energy: -53.244
Base-Backbone interact. energy: 0.408
local terms energy: -88.700414
where:
bonds (distance) C4'-P energy: -26.201
bonds (distance) P-C4' energy: -29.222
flat angles C4'-P-C4' energy: -19.385
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 122
Temperature: 1.666667
Total energy: -88.681665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.681665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.681665 (E_RNA)
where:
Base-Base interactions energy: -29.652
where: short stacking energy: -29.590
Base-Backbone interact. energy: -0.774
local terms energy: -58.256019
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -23.467
flat angles C4'-P-C4' energy: -9.266
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: 6.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 122
Temperature: 2.050000
Total energy: -55.645753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.645753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.645753 (E_RNA)
where:
Base-Base interactions energy: -11.826
where: short stacking energy: -5.155
Base-Backbone interact. energy: -0.453
local terms energy: -43.366827
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -5.499
tors. eta vs tors. theta energy: 14.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 122
Temperature: 2.433333
Total energy: -45.769208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.769208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.769208 (E_RNA)
where:
Base-Base interactions energy: -11.979
where: short stacking energy: -11.206
Base-Backbone interact. energy: -0.582
local terms energy: -33.208167
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: 16.378
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: 8
=====================================
Write number: 122
Temperature: 2.816667
Total energy: -39.927547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.927547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.927547 (E_RNA)
where:
Base-Base interactions energy: -7.896
where: short stacking energy: -6.707
Base-Backbone interact. energy: -0.973
local terms energy: -31.058905
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -19.826
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: 0.494
tors. eta vs tors. theta energy: 18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 122
Temperature: 3.200000
Total energy: -25.053552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.053552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.053552 (E_RNA)
where:
Base-Base interactions energy: -6.570
where: short stacking energy: -6.410
Base-Backbone interact. energy: 3.065
local terms energy: -21.548503
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -9.724
flat angles P-C4'-P energy: 6.508
tors. eta vs tors. theta energy: 16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 122
Temperature: 3.583333
Total energy: -13.088266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.088266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.088266 (E_RNA)
where:
Base-Base interactions energy: -6.542
where: short stacking energy: -3.375
Base-Backbone interact. energy: -0.168
local terms energy: -6.378566
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -4.485
flat angles C4'-P-C4' energy: -0.104
flat angles P-C4'-P energy: -1.885
tors. eta vs tors. theta energy: 11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 122
Temperature: 3.966667
Total energy: -5.567882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.567882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.567882 (E_RNA)
where:
Base-Base interactions energy: -4.295
where: short stacking energy: -2.937
Base-Backbone interact. energy: 1.543
local terms energy: -2.815962
where:
bonds (distance) C4'-P energy: -8.573
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -0.145
flat angles P-C4'-P energy: 8.150
tors. eta vs tors. theta energy: 15.042
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: 10
=====================================
Write number: 122
Temperature: 4.350000
Total energy: -2.301795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.301795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.301795 (E_RNA)
where:
Base-Base interactions energy: -6.190
where: short stacking energy: -4.890
Base-Backbone interact. energy: 2.785
local terms energy: 1.103493
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -10.546
flat angles C4'-P-C4' energy: 4.064
flat angles P-C4'-P energy: 5.307
tors. eta vs tors. theta energy: 18.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -380.110084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.110084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.110084 (E_RNA)
where:
Base-Base interactions energy: -250.995
where: short stacking energy: -119.987
Base-Backbone interact. energy: -1.073
local terms energy: -128.042167
where:
bonds (distance) C4'-P energy: -23.759
bonds (distance) P-C4' energy: -26.394
flat angles C4'-P-C4' energy: -27.075
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: -34.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 123
Temperature: 1.283333
Total energy: -161.586985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.586985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.586985 (E_RNA)
where:
Base-Base interactions energy: -75.246
where: short stacking energy: -52.615
Base-Backbone interact. energy: -0.349
local terms energy: -85.991615
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -23.729
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 123
Temperature: 1.666667
Total energy: -88.061751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.061751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.061751 (E_RNA)
where:
Base-Base interactions energy: -24.301
where: short stacking energy: -16.723
Base-Backbone interact. energy: -2.121
local terms energy: -61.639928
where:
bonds (distance) C4'-P energy: -24.065
bonds (distance) P-C4' energy: -17.602
flat angles C4'-P-C4' energy: -8.433
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: 2.966
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: 3
=====================================
Write number: 123
Temperature: 2.050000
Total energy: -61.832800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.832800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.832800 (E_RNA)
where:
Base-Base interactions energy: -21.776
where: short stacking energy: -15.245
Base-Backbone interact. energy: 1.127
local terms energy: -41.183873
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: 10.011
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: 4
=====================================
Write number: 123
Temperature: 2.433333
Total energy: -49.964218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.964218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.964218 (E_RNA)
where:
Base-Base interactions energy: -14.816
where: short stacking energy: -13.771
Base-Backbone interact. energy: -0.626
local terms energy: -34.521757
where:
bonds (distance) C4'-P energy: -5.688
bonds (distance) P-C4' energy: -27.023
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: 3.646
tors. eta vs tors. theta energy: 7.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 123
Temperature: 2.816667
Total energy: -43.417809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.417809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.417809 (E_RNA)
where:
Base-Base interactions energy: -11.992
where: short stacking energy: -11.988
Base-Backbone interact. energy: 1.935
local terms energy: -33.361385
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -4.723
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: 5.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 123
Temperature: 3.200000
Total energy: -28.780910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.780910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.780910 (E_RNA)
where:
Base-Base interactions energy: -5.830
where: short stacking energy: -5.830
Base-Backbone interact. energy: -0.432
local terms energy: -22.519080
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -7.428
flat angles C4'-P-C4' energy: -9.956
flat angles P-C4'-P energy: -2.420
tors. eta vs tors. theta energy: 11.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 3.583333
Total energy: -10.227634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.227634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.227634 (E_RNA)
where:
Base-Base interactions energy: -8.852
where: short stacking energy: -4.755
Base-Backbone interact. energy: -0.259
local terms energy: -1.116028
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -9.472
flat angles C4'-P-C4' energy: 6.885
flat angles P-C4'-P energy: 0.065
tors. eta vs tors. theta energy: 13.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 123
Temperature: 3.966667
Total energy: -11.541495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.541495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.541495 (E_RNA)
where:
Base-Base interactions energy: -9.057
where: short stacking energy: -4.614
Base-Backbone interact. energy: -0.144
local terms energy: -2.340093
where:
bonds (distance) C4'-P energy: -2.628
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -4.561
flat angles P-C4'-P energy: 8.858
tors. eta vs tors. theta energy: 11.175
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: 10
=====================================
Write number: 123
Temperature: 4.350000
Total energy: -5.896965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.896965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.896965 (E_RNA)
where:
Base-Base interactions energy: -8.121
where: short stacking energy: -5.428
Base-Backbone interact. energy: -0.346
local terms energy: 2.570686
where:
bonds (distance) C4'-P energy: -7.981
bonds (distance) P-C4' energy: -9.197
flat angles C4'-P-C4' energy: -6.630
flat angles P-C4'-P energy: 9.664
tors. eta vs tors. theta energy: 16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -380.369536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.369536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.369536 (E_RNA)
where:
Base-Base interactions energy: -258.942
where: short stacking energy: -120.714
Base-Backbone interact. energy: -0.196
local terms energy: -121.231968
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -27.818
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -35.247
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: 2
=====================================
Write number: 124
Temperature: 1.283333
Total energy: -190.811280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.811280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.811280 (E_RNA)
where:
Base-Base interactions energy: -113.678
where: short stacking energy: -60.364
Base-Backbone interact. energy: 0.226
local terms energy: -77.359323
where:
bonds (distance) C4'-P energy: -19.628
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -19.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 124
Temperature: 1.666667
Total energy: -96.136980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.136980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.136980 (E_RNA)
where:
Base-Base interactions energy: -21.302
where: short stacking energy: -21.302
Base-Backbone interact. energy: -0.239
local terms energy: -74.595799
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: 0.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 124
Temperature: 2.050000
Total energy: -71.742937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.742937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.742937 (E_RNA)
where:
Base-Base interactions energy: -30.589
where: short stacking energy: -27.671
Base-Backbone interact. energy: 1.811
local terms energy: -42.964763
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -20.764
flat angles C4'-P-C4' energy: -6.686
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: 8.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 124
Temperature: 2.433333
Total energy: -45.035925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.035925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.035925 (E_RNA)
where:
Base-Base interactions energy: -9.831
where: short stacking energy: -9.753
Base-Backbone interact. energy: 1.927
local terms energy: -37.132076
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -1.556
tors. eta vs tors. theta energy: 8.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 124
Temperature: 2.816667
Total energy: -39.178551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.178551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.178551 (E_RNA)
where:
Base-Base interactions energy: -3.072
where: short stacking energy: -3.072
Base-Backbone interact. energy: 0.917
local terms energy: -37.023913
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -5.600
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: 12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 124
Temperature: 3.200000
Total energy: -22.634071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.634071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.634071 (E_RNA)
where:
Base-Base interactions energy: -9.101
where: short stacking energy: -1.471
Base-Backbone interact. energy: 0.944
local terms energy: -14.476986
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -9.902
flat angles C4'-P-C4' energy: -7.450
flat angles P-C4'-P energy: 3.239
tors. eta vs tors. theta energy: 14.419
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: 6
=====================================
Write number: 124
Temperature: 3.583333
Total energy: -17.373528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.373528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.373528 (E_RNA)
where:
Base-Base interactions energy: -12.132
where: short stacking energy: -12.074
Base-Backbone interact. energy: -0.113
local terms energy: -5.128648
where:
bonds (distance) C4'-P energy: -5.949
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -0.546
flat angles P-C4'-P energy: -0.572
tors. eta vs tors. theta energy: 12.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 124
Temperature: 3.966667
Total energy: -8.648891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.648891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.648891 (E_RNA)
where:
Base-Base interactions energy: -3.459
where: short stacking energy: -3.168
Base-Backbone interact. energy: 5.360
local terms energy: -10.550067
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -9.532
flat angles C4'-P-C4' energy: -3.074
flat angles P-C4'-P energy: 0.872
tors. eta vs tors. theta energy: 17.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 124
Temperature: 4.350000
Total energy: 0.121867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.121867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.121867 (E_RNA)
where:
Base-Base interactions energy: -4.893
where: short stacking energy: -4.565
Base-Backbone interact. energy: 1.004
local terms energy: 4.010288
where:
bonds (distance) C4'-P energy: -3.091
bonds (distance) P-C4' energy: -11.150
flat angles C4'-P-C4' energy: -2.892
flat angles P-C4'-P energy: 3.439
tors. eta vs tors. theta energy: 17.704
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: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -386.169309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.169309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.169309 (E_RNA)
where:
Base-Base interactions energy: -258.434
where: short stacking energy: -117.194
Base-Backbone interact. energy: -0.266
local terms energy: -127.469055
where:
bonds (distance) C4'-P energy: -27.409
bonds (distance) P-C4' energy: -23.832
flat angles C4'-P-C4' energy: -26.407
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -33.769
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: 2
=====================================
Write number: 125
Temperature: 1.283333
Total energy: -162.432195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.432195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.432195 (E_RNA)
where:
Base-Base interactions energy: -77.982
where: short stacking energy: -44.595
Base-Backbone interact. energy: -0.427
local terms energy: -84.023424
where:
bonds (distance) C4'-P energy: -23.812
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -19.381
tors. eta vs tors. theta energy: -7.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 125
Temperature: 1.666667
Total energy: -87.857170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.857170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.857170 (E_RNA)
where:
Base-Base interactions energy: -30.567
where: short stacking energy: -15.555
Base-Backbone interact. energy: -1.289
local terms energy: -56.001416
where:
bonds (distance) C4'-P energy: -19.902
bonds (distance) P-C4' energy: -17.783
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: 6.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 125
Temperature: 2.050000
Total energy: -70.740584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.740584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.740584 (E_RNA)
where:
Base-Base interactions energy: -22.458
where: short stacking energy: -21.615
Base-Backbone interact. energy: -0.530
local terms energy: -47.753162
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -9.455
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: 6.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 125
Temperature: 2.433333
Total energy: -46.492134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.492134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.492134 (E_RNA)
where:
Base-Base interactions energy: -7.744
where: short stacking energy: -6.064
Base-Backbone interact. energy: -2.078
local terms energy: -36.670259
where:
bonds (distance) C4'-P energy: -19.818
bonds (distance) P-C4' energy: -6.813
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: 8.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 125
Temperature: 2.816667
Total energy: -36.583904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.583904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.583904 (E_RNA)
where:
Base-Base interactions energy: -11.584
where: short stacking energy: -6.973
Base-Backbone interact. energy: -1.331
local terms energy: -23.669677
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: 12.926
tors. eta vs tors. theta energy: 8.352
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: 8
=====================================
Write number: 125
Temperature: 3.200000
Total energy: -22.051784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.051784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.051784 (E_RNA)
where:
Base-Base interactions energy: -10.441
where: short stacking energy: -3.622
Base-Backbone interact. energy: 0.098
local terms energy: -11.709147
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -6.649
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: 8.513
tors. eta vs tors. theta energy: 9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 3.583333
Total energy: -13.232060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.232060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.232060 (E_RNA)
where:
Base-Base interactions energy: -6.809
where: short stacking energy: -6.321
Base-Backbone interact. energy: 0.724
local terms energy: -7.147720
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: 3.429
flat angles P-C4'-P energy: 10.026
tors. eta vs tors. theta energy: 9.444
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: 10
=====================================
Write number: 125
Temperature: 3.966667
Total energy: -10.074727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.074727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.074727 (E_RNA)
where:
Base-Base interactions energy: -3.957
where: short stacking energy: -3.303
Base-Backbone interact. energy: 4.881
local terms energy: -10.998642
where:
bonds (distance) C4'-P energy: -0.240
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -6.267
flat angles P-C4'-P energy: -3.823
tors. eta vs tors. theta energy: 16.521
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: 10, replica: 9
=====================================
Write number: 125
Temperature: 4.350000
Total energy: 2.783410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 2.783410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 2.783410 (E_RNA)
where:
Base-Base interactions energy: 2.123
where: short stacking energy: 2.156
Base-Backbone interact. energy: 4.428
local terms energy: -3.767988
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -6.378
flat angles C4'-P-C4' energy: -6.115
flat angles P-C4'-P energy: 7.524
tors. eta vs tors. theta energy: 17.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -380.888759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.888759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.888759 (E_RNA)
where:
Base-Base interactions energy: -258.308
where: short stacking energy: -119.245
Base-Backbone interact. energy: -0.269
local terms energy: -122.311711
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -24.251
flat angles C4'-P-C4' energy: -27.364
flat angles P-C4'-P energy: -15.184
tors. eta vs tors. theta energy: -33.191
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: 2, replica: 2
=====================================
Write number: 126
Temperature: 1.283333
Total energy: -198.013051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.013051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.013051 (E_RNA)
where:
Base-Base interactions energy: -122.667
where: short stacking energy: -67.559
Base-Backbone interact. energy: -0.369
local terms energy: -74.977870
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -25.039
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -7.774
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: 126
Temperature: 1.666667
Total energy: -82.225992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.225992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.225992 (E_RNA)
where:
Base-Base interactions energy: -25.014
where: short stacking energy: -23.948
Base-Backbone interact. energy: 0.065
local terms energy: -57.277428
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -17.028
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 126
Temperature: 2.050000
Total energy: -68.736578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.736578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.736578 (E_RNA)
where:
Base-Base interactions energy: -19.472
where: short stacking energy: -19.472
Base-Backbone interact. energy: -0.418
local terms energy: -48.846725
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: 7.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 126
Temperature: 2.433333
Total energy: -53.562120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.562120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.562120 (E_RNA)
where:
Base-Base interactions energy: -12.138
where: short stacking energy: -12.042
Base-Backbone interact. energy: -0.549
local terms energy: -40.874843
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -6.996
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: 9.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 126
Temperature: 2.816667
Total energy: -51.293150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.293150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.293150 (E_RNA)
where:
Base-Base interactions energy: -5.795
where: short stacking energy: -5.022
Base-Backbone interact. energy: -1.380
local terms energy: -44.117718
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -23.642
flat angles C4'-P-C4' energy: -4.613
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: 8.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 126
Temperature: 3.200000
Total energy: -30.735576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.735576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.735576 (E_RNA)
where:
Base-Base interactions energy: -6.735
where: short stacking energy: -1.716
Base-Backbone interact. energy: 2.020
local terms energy: -26.021106
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -6.953
flat angles P-C4'-P energy: -2.487
tors. eta vs tors. theta energy: 14.908
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: 8
=====================================
Write number: 126
Temperature: 3.583333
Total energy: -26.788607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.788607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.788607 (E_RNA)
where:
Base-Base interactions energy: -1.550
where: short stacking energy: -1.550
Base-Backbone interact. energy: -0.407
local terms energy: -24.832057
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -0.019
flat angles P-C4'-P energy: -1.239
tors. eta vs tors. theta energy: 10.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 126
Temperature: 3.966667
Total energy: -21.486502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.486502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.486502 (E_RNA)
where:
Base-Base interactions energy: -2.379
where: short stacking energy: -1.142
Base-Backbone interact. energy: 2.752
local terms energy: -21.860035
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -10.516
flat angles C4'-P-C4' energy: -20.131
flat angles P-C4'-P energy: -0.352
tors. eta vs tors. theta energy: 18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 126
Temperature: 4.350000
Total energy: -3.850737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.850737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.850737 (E_RNA)
where:
Base-Base interactions energy: -2.326
where: short stacking energy: -2.013
Base-Backbone interact. energy: -1.286
local terms energy: -0.238789
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -2.176
flat angles C4'-P-C4' energy: -8.537
flat angles P-C4'-P energy: 3.941
tors. eta vs tors. theta energy: 16.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -380.592933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.592933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.592933 (E_RNA)
where:
Base-Base interactions energy: -254.509
where: short stacking energy: -121.327
Base-Backbone interact. energy: -1.368
local terms energy: -124.715502
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -27.111
flat angles C4'-P-C4' energy: -26.337
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -33.793
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: 2
=====================================
Write number: 127
Temperature: 1.283333
Total energy: -190.097885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.097885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.097885 (E_RNA)
where:
Base-Base interactions energy: -104.375
where: short stacking energy: -53.929
Base-Backbone interact. energy: -0.536
local terms energy: -85.187171
where:
bonds (distance) C4'-P energy: -26.495
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -20.786
flat angles P-C4'-P energy: -16.628
tors. eta vs tors. theta energy: -7.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 127
Temperature: 1.666667
Total energy: -89.660343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.660343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.660343 (E_RNA)
where:
Base-Base interactions energy: -37.998
where: short stacking energy: -29.021
Base-Backbone interact. energy: -0.546
local terms energy: -51.116292
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: 5.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 127
Temperature: 2.050000
Total energy: -58.683816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.683816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.683816 (E_RNA)
where:
Base-Base interactions energy: -18.980
where: short stacking energy: -9.272
Base-Backbone interact. energy: -0.367
local terms energy: -39.336883
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: 14.923
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: 4
=====================================
Write number: 127
Temperature: 2.433333
Total energy: -50.312294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.312294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.312294 (E_RNA)
where:
Base-Base interactions energy: -5.950
where: short stacking energy: -4.798
Base-Backbone interact. energy: -1.332
local terms energy: -43.030594
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -3.031
tors. eta vs tors. theta energy: 12.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 127
Temperature: 2.816667
Total energy: -37.771989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.771989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.771989 (E_RNA)
where:
Base-Base interactions energy: -7.107
where: short stacking energy: -5.310
Base-Backbone interact. energy: 3.735
local terms energy: -34.399958
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -4.669
tors. eta vs tors. theta energy: 15.171
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: 127
Temperature: 3.200000
Total energy: -28.557697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.557697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.557697 (E_RNA)
where:
Base-Base interactions energy: -0.077
where: short stacking energy: -0.895
Base-Backbone interact. energy: 1.146
local terms energy: -29.625915
where:
bonds (distance) C4'-P energy: -4.417
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -21.425
flat angles P-C4'-P energy: 0.264
tors. eta vs tors. theta energy: 16.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 127
Temperature: 3.583333
Total energy: -15.465877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.465877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.465877 (E_RNA)
where:
Base-Base interactions energy: -0.564
where: short stacking energy: 0.000
Base-Backbone interact. energy: 0.535
local terms energy: -15.436944
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -9.443
flat angles C4'-P-C4' energy: -5.301
flat angles P-C4'-P energy: 2.989
tors. eta vs tors. theta energy: 10.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 127
Temperature: 3.966667
Total energy: -7.799567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.799567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.799567 (E_RNA)
where:
Base-Base interactions energy: 3.642
where: short stacking energy: 4.390
Base-Backbone interact. energy: 3.768
local terms energy: -15.209730
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -5.773
flat angles P-C4'-P energy: -3.980
tors. eta vs tors. theta energy: 15.871
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: 10
=====================================
Write number: 127
Temperature: 4.350000
Total energy: 0.547326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.547326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.547326 (E_RNA)
where:
Base-Base interactions energy: -5.353
where: short stacking energy: 1.055
Base-Backbone interact. energy: 1.393
local terms energy: 4.507390
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -6.037
flat angles C4'-P-C4' energy: -5.203
flat angles P-C4'-P energy: 17.840
tors. eta vs tors. theta energy: 12.255
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: 128
Temperature: 0.900000
Total energy: -385.443709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.443709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.443709 (E_RNA)
where:
Base-Base interactions energy: -256.743
where: short stacking energy: -124.064
Base-Backbone interact. energy: -1.041
local terms energy: -127.660210
where:
bonds (distance) C4'-P energy: -22.327
bonds (distance) P-C4' energy: -24.404
flat angles C4'-P-C4' energy: -27.856
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -36.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 128
Temperature: 1.283333
Total energy: -202.826644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.826644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.826644 (E_RNA)
where:
Base-Base interactions energy: -121.941
where: short stacking energy: -73.124
Base-Backbone interact. energy: -0.515
local terms energy: -80.370465
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -8.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 128
Temperature: 1.666667
Total energy: -81.666868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.666868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.666868 (E_RNA)
where:
Base-Base interactions energy: -28.727
where: short stacking energy: -22.874
Base-Backbone interact. energy: -0.087
local terms energy: -52.852392
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -24.973
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -0.319
tors. eta vs tors. theta energy: 5.609
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: 4, replica: 7
=====================================
Write number: 128
Temperature: 2.050000
Total energy: -72.200299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.200299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.200299 (E_RNA)
where:
Base-Base interactions energy: -19.437
where: short stacking energy: -17.762
Base-Backbone interact. energy: -0.885
local terms energy: -51.878889
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: 8.673
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: 5, replica: 3
=====================================
Write number: 128
Temperature: 2.433333
Total energy: -46.899696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.899696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.899696 (E_RNA)
where:
Base-Base interactions energy: -17.197
where: short stacking energy: -11.914
Base-Backbone interact. energy: 1.297
local terms energy: -30.999787
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -18.699
flat angles C4'-P-C4' energy: -9.387
flat angles P-C4'-P energy: 0.706
tors. eta vs tors. theta energy: 7.990
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: 4
=====================================
Write number: 128
Temperature: 2.816667
Total energy: -38.611556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.611556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.611556 (E_RNA)
where:
Base-Base interactions energy: -5.395
where: short stacking energy: -5.339
Base-Backbone interact. energy: 0.372
local terms energy: -33.588434
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -6.700
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: 13.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 128
Temperature: 3.200000
Total energy: -31.102156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.102156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.102156 (E_RNA)
where:
Base-Base interactions energy: -10.386
where: short stacking energy: -8.793
Base-Backbone interact. energy: 0.150
local terms energy: -20.866094
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: 4.736
tors. eta vs tors. theta energy: 7.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 3.583333
Total energy: -15.814002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.814002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.814002 (E_RNA)
where:
Base-Base interactions energy: 1.233
where: short stacking energy: 1.233
Base-Backbone interact. energy: -1.324
local terms energy: -15.723862
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: 7.119
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: 13.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 128
Temperature: 3.966667
Total energy: -6.450719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.450719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.450719 (E_RNA)
where:
Base-Base interactions energy: -6.226
where: short stacking energy: -4.552
Base-Backbone interact. energy: 5.131
local terms energy: -5.355115
where:
bonds (distance) C4'-P energy: -7.427
bonds (distance) P-C4' energy: -8.470
flat angles C4'-P-C4' energy: -1.386
flat angles P-C4'-P energy: -1.567
tors. eta vs tors. theta energy: 13.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 128
Temperature: 4.350000
Total energy: -9.274350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.274350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.274350 (E_RNA)
where:
Base-Base interactions energy: -2.479
where: short stacking energy: -0.318
Base-Backbone interact. energy: -0.268
local terms energy: -6.527351
where:
bonds (distance) C4'-P energy: -6.358
bonds (distance) P-C4' energy: -9.843
flat angles C4'-P-C4' energy: -4.004
flat angles P-C4'-P energy: 2.219
tors. eta vs tors. theta energy: 11.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -392.499828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.499828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.499828 (E_RNA)
where:
Base-Base interactions energy: -263.006
where: short stacking energy: -124.269
Base-Backbone interact. energy: -0.235
local terms energy: -129.258994
where:
bonds (distance) C4'-P energy: -23.589
bonds (distance) P-C4' energy: -22.614
flat angles C4'-P-C4' energy: -28.330
flat angles P-C4'-P energy: -18.348
tors. eta vs tors. theta energy: -36.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 129
Temperature: 1.283333
Total energy: -199.987008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.987008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.987008 (E_RNA)
where:
Base-Base interactions energy: -113.347
where: short stacking energy: -59.913
Base-Backbone interact. energy: -0.136
local terms energy: -86.504209
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -19.894
flat angles C4'-P-C4' energy: -23.735
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -12.009
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: 5
=====================================
Write number: 129
Temperature: 1.666667
Total energy: -101.681049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.681049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.681049 (E_RNA)
where:
Base-Base interactions energy: -33.538
where: short stacking energy: -31.511
Base-Backbone interact. energy: -0.284
local terms energy: -67.858858
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 129
Temperature: 2.050000
Total energy: -56.984274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.984274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.984274 (E_RNA)
where:
Base-Base interactions energy: -9.806
where: short stacking energy: -6.846
Base-Backbone interact. energy: 0.941
local terms energy: -48.119614
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -25.522
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: 11.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 129
Temperature: 2.433333
Total energy: -61.343730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.343730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.343730 (E_RNA)
where:
Base-Base interactions energy: -13.947
where: short stacking energy: -12.595
Base-Backbone interact. energy: 3.062
local terms energy: -50.458761
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: 8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 129
Temperature: 2.816667
Total energy: -35.474443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.474443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.474443 (E_RNA)
where:
Base-Base interactions energy: -5.533
where: short stacking energy: -3.953
Base-Backbone interact. energy: -0.743
local terms energy: -29.198759
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -18.934
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: 12.052
tors. eta vs tors. theta energy: 7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 129
Temperature: 3.200000
Total energy: -25.617007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.617007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.617007 (E_RNA)
where:
Base-Base interactions energy: -2.863
where: short stacking energy: -1.354
Base-Backbone interact. energy: -0.028
local terms energy: -22.726433
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -4.960
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -1.834
tors. eta vs tors. theta energy: 16.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 129
Temperature: 3.583333
Total energy: -11.831512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.831512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.831512 (E_RNA)
where:
Base-Base interactions energy: -5.206
where: short stacking energy: -5.002
Base-Backbone interact. energy: 0.177
local terms energy: -6.802391
where:
bonds (distance) C4'-P energy: -8.183
bonds (distance) P-C4' energy: -8.195
flat angles C4'-P-C4' energy: -4.740
flat angles P-C4'-P energy: 2.580
tors. eta vs tors. theta energy: 11.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 129
Temperature: 3.966667
Total energy: -29.063866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.063866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.063866 (E_RNA)
where:
Base-Base interactions energy: -3.292
where: short stacking energy: -4.471
Base-Backbone interact. energy: 2.147
local terms energy: -27.918740
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -17.440
flat angles C4'-P-C4' energy: -6.701
flat angles P-C4'-P energy: -4.431
tors. eta vs tors. theta energy: 16.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 129
Temperature: 4.350000
Total energy: -2.663690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.663690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.663690 (E_RNA)
where:
Base-Base interactions energy: -8.817
where: short stacking energy: -7.940
Base-Backbone interact. energy: -0.410
local terms energy: 6.563656
where:
bonds (distance) C4'-P energy: 0.984
bonds (distance) P-C4' energy: -9.163
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: 12.247
tors. eta vs tors. theta energy: 16.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -380.059483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.059483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.059483 (E_RNA)
where:
Base-Base interactions energy: -252.556
where: short stacking energy: -114.609
Base-Backbone interact. energy: -0.825
local terms energy: -126.677753
where:
bonds (distance) C4'-P energy: -28.686
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -24.651
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -33.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 130
Temperature: 1.283333
Total energy: -197.237329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.237329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.237329 (E_RNA)
where:
Base-Base interactions energy: -115.801
where: short stacking energy: -54.131
Base-Backbone interact. energy: -0.353
local terms energy: -81.082949
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -21.965
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -4.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 130
Temperature: 1.666667
Total energy: -75.590335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.590335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.590335 (E_RNA)
where:
Base-Base interactions energy: -22.187
where: short stacking energy: -19.046
Base-Backbone interact. energy: 0.625
local terms energy: -54.028397
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -19.722
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: 2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 130
Temperature: 2.050000
Total energy: -59.575000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.575000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.575000 (E_RNA)
where:
Base-Base interactions energy: -29.085
where: short stacking energy: -13.338
Base-Backbone interact. energy: -0.468
local terms energy: -30.022250
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -8.895
flat angles P-C4'-P energy: 5.957
tors. eta vs tors. theta energy: 1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 130
Temperature: 2.433333
Total energy: -40.778291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.778291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.778291 (E_RNA)
where:
Base-Base interactions energy: -16.432
where: short stacking energy: -11.791
Base-Backbone interact. energy: 0.507
local terms energy: -24.852737
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -0.639
flat angles P-C4'-P energy: -2.972
tors. eta vs tors. theta energy: 10.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 130
Temperature: 2.816667
Total energy: -35.785047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.785047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.785047 (E_RNA)
where:
Base-Base interactions energy: -4.135
where: short stacking energy: -4.135
Base-Backbone interact. energy: 0.525
local terms energy: -32.175596
where:
bonds (distance) C4'-P energy: -7.599
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -5.032
tors. eta vs tors. theta energy: 10.818
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: 130
Temperature: 3.200000
Total energy: -17.919693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.919693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.919693 (E_RNA)
where:
Base-Base interactions energy: -8.875
where: short stacking energy: -7.345
Base-Backbone interact. energy: -0.143
local terms energy: -8.901931
where:
bonds (distance) C4'-P energy: -9.380
bonds (distance) P-C4' energy: -9.497
flat angles C4'-P-C4' energy: 3.007
flat angles P-C4'-P energy: -2.267
tors. eta vs tors. theta energy: 9.234
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: 8, replica: 8
=====================================
Write number: 130
Temperature: 3.583333
Total energy: -21.009799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.009799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.009799 (E_RNA)
where:
Base-Base interactions energy: -0.124
where: short stacking energy: 1.035
Base-Backbone interact. energy: -0.323
local terms energy: -20.562971
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: 0.196
tors. eta vs tors. theta energy: 19.147
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: 6
=====================================
Write number: 130
Temperature: 3.966667
Total energy: -14.402348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.402348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.402348 (E_RNA)
where:
Base-Base interactions energy: -4.556
where: short stacking energy: -5.156
Base-Backbone interact. energy: 0.041
local terms energy: -9.887795
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: 2.066
flat angles P-C4'-P energy: 4.360
tors. eta vs tors. theta energy: 15.639
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: 10, replica: 10
=====================================
Write number: 130
Temperature: 4.350000
Total energy: -0.097083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.097083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.097083 (E_RNA)
where:
Base-Base interactions energy: -8.733
where: short stacking energy: -1.786
Base-Backbone interact. energy: 1.340
local terms energy: 7.295685
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: 5.413
flat angles P-C4'-P energy: 6.879
tors. eta vs tors. theta energy: 19.939
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: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -380.251474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.251474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.251474 (E_RNA)
where:
Base-Base interactions energy: -253.481
where: short stacking energy: -109.827
Base-Backbone interact. energy: -1.059
local terms energy: -125.711811
where:
bonds (distance) C4'-P energy: -24.867
bonds (distance) P-C4' energy: -21.971
flat angles C4'-P-C4' energy: -26.802
flat angles P-C4'-P energy: -20.294
tors. eta vs tors. theta energy: -31.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 1.283333
Total energy: -187.254007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.254007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.254007 (E_RNA)
where:
Base-Base interactions energy: -98.866
where: short stacking energy: -53.402
Base-Backbone interact. energy: 1.752
local terms energy: -90.139378
where:
bonds (distance) C4'-P energy: -25.348
bonds (distance) P-C4' energy: -21.584
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -18.308
tors. eta vs tors. theta energy: -9.198
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: 5
=====================================
Write number: 131
Temperature: 1.666667
Total energy: -81.137476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.137476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.137476 (E_RNA)
where:
Base-Base interactions energy: -25.609
where: short stacking energy: -23.558
Base-Backbone interact. energy: -1.200
local terms energy: -54.328967
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: 7.919
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: 3
=====================================
Write number: 131
Temperature: 2.050000
Total energy: -64.047589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.047589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.047589 (E_RNA)
where:
Base-Base interactions energy: -15.603
where: short stacking energy: -4.076
Base-Backbone interact. energy: 1.021
local terms energy: -49.465445
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: 11.325
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: 4
=====================================
Write number: 131
Temperature: 2.433333
Total energy: -50.624151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.624151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.624151 (E_RNA)
where:
Base-Base interactions energy: -14.780
where: short stacking energy: -7.502
Base-Backbone interact. energy: -0.080
local terms energy: -35.763761
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -7.840
flat angles P-C4'-P energy: -0.623
tors. eta vs tors. theta energy: 12.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 131
Temperature: 2.816667
Total energy: -41.682378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.682378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.682378 (E_RNA)
where:
Base-Base interactions energy: -9.956
where: short stacking energy: -9.513
Base-Backbone interact. energy: 0.329
local terms energy: -32.055651
where:
bonds (distance) C4'-P energy: -9.435
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: 13.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 131
Temperature: 3.200000
Total energy: -33.283576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.283576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.283576 (E_RNA)
where:
Base-Base interactions energy: -5.862
where: short stacking energy: -5.862
Base-Backbone interact. energy: -0.442
local terms energy: -26.979861
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -7.448
flat angles C4'-P-C4' energy: -9.016
flat angles P-C4'-P energy: -2.216
tors. eta vs tors. theta energy: 10.953
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: 8
=====================================
Write number: 131
Temperature: 3.583333
Total energy: -15.339450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.339450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.339450 (E_RNA)
where:
Base-Base interactions energy: -12.709
where: short stacking energy: -6.180
Base-Backbone interact. energy: 1.466
local terms energy: -4.096830
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -8.252
flat angles C4'-P-C4' energy: 0.165
flat angles P-C4'-P energy: 0.638
tors. eta vs tors. theta energy: 18.156
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: 6
=====================================
Write number: 131
Temperature: 3.966667
Total energy: -17.885618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.885618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.885618 (E_RNA)
where:
Base-Base interactions energy: -10.963
where: short stacking energy: -2.545
Base-Backbone interact. energy: 0.616
local terms energy: -7.538328
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -1.477
flat angles P-C4'-P energy: 5.334
tors. eta vs tors. theta energy: 17.837
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: 10
=====================================
Write number: 131
Temperature: 4.350000
Total energy: -4.499130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.499130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.499130 (E_RNA)
where:
Base-Base interactions energy: 0.100
where: short stacking energy: -1.338
Base-Backbone interact. energy: 8.873
local terms energy: -13.472193
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -6.080
flat angles P-C4'-P energy: 2.855
tors. eta vs tors. theta energy: 20.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -384.431706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.431706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.431706 (E_RNA)
where:
Base-Base interactions energy: -250.271
where: short stacking energy: -118.209
Base-Backbone interact. energy: -0.527
local terms energy: -133.634044
where:
bonds (distance) C4'-P energy: -26.396
bonds (distance) P-C4' energy: -28.924
flat angles C4'-P-C4' energy: -27.452
flat angles P-C4'-P energy: -19.697
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: 2, replica: 2
=====================================
Write number: 132
Temperature: 1.283333
Total energy: -183.465869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.465869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.465869 (E_RNA)
where:
Base-Base interactions energy: -93.348
where: short stacking energy: -46.183
Base-Backbone interact. energy: -0.389
local terms energy: -89.729165
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -27.554
flat angles C4'-P-C4' energy: -25.150
flat angles P-C4'-P energy: -15.991
tors. eta vs tors. theta energy: 2.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 132
Temperature: 1.666667
Total energy: -86.461931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.461931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.461931 (E_RNA)
where:
Base-Base interactions energy: -31.484
where: short stacking energy: -31.703
Base-Backbone interact. energy: -0.196
local terms energy: -54.781320
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -22.738
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: 1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 132
Temperature: 2.050000
Total energy: -61.588257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.588257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.588257 (E_RNA)
where:
Base-Base interactions energy: -18.863
where: short stacking energy: -16.319
Base-Backbone interact. energy: -0.838
local terms energy: -41.887996
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: 1.264
tors. eta vs tors. theta energy: 5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 132
Temperature: 2.433333
Total energy: -42.908962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.908962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.908962 (E_RNA)
where:
Base-Base interactions energy: -5.423
where: short stacking energy: -3.698
Base-Backbone interact. energy: 0.536
local terms energy: -38.022023
where:
bonds (distance) C4'-P energy: -18.792
bonds (distance) P-C4' energy: -10.801
flat angles C4'-P-C4' energy: -9.977
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: 11.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 2.816667
Total energy: -38.066201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.066201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.066201 (E_RNA)
where:
Base-Base interactions energy: -8.478
where: short stacking energy: -9.768
Base-Backbone interact. energy: 0.911
local terms energy: -30.499470
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -9.577
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -1.171
tors. eta vs tors. theta energy: 4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 132
Temperature: 3.200000
Total energy: -26.692585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.692585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.692585 (E_RNA)
where:
Base-Base interactions energy: -16.192
where: short stacking energy: -11.695
Base-Backbone interact. energy: -0.180
local terms energy: -10.320921
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -4.980
flat angles C4'-P-C4' energy: -2.114
flat angles P-C4'-P energy: 9.237
tors. eta vs tors. theta energy: 5.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 132
Temperature: 3.583333
Total energy: -19.339736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.339736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.339736 (E_RNA)
where:
Base-Base interactions energy: -16.390
where: short stacking energy: -13.322
Base-Backbone interact. energy: -0.433
local terms energy: -2.516611
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: 2.298
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: 5.441
tors. eta vs tors. theta energy: 10.784
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: 10
=====================================
Write number: 132
Temperature: 3.966667
Total energy: -9.093379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.093379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.093379 (E_RNA)
where:
Base-Base interactions energy: -3.855
where: short stacking energy: -0.355
Base-Backbone interact. energy: -0.907
local terms energy: -4.331077
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -22.303
flat angles C4'-P-C4' energy: 7.017
flat angles P-C4'-P energy: -1.453
tors. eta vs tors. theta energy: 22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 132
Temperature: 4.350000
Total energy: -3.841781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.841781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.841781 (E_RNA)
where:
Base-Base interactions energy: -4.268
where: short stacking energy: -3.915
Base-Backbone interact. energy: 7.508
local terms energy: -7.081737
where:
bonds (distance) C4'-P energy: -3.580
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -7.278
flat angles P-C4'-P energy: 0.906
tors. eta vs tors. theta energy: 19.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -380.091604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.091604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.091604 (E_RNA)
where:
Base-Base interactions energy: -247.584
where: short stacking energy: -112.678
Base-Backbone interact. energy: -0.371
local terms energy: -132.136691
where:
bonds (distance) C4'-P energy: -29.004
bonds (distance) P-C4' energy: -24.646
flat angles C4'-P-C4' energy: -21.923
flat angles P-C4'-P energy: -19.973
tors. eta vs tors. theta energy: -36.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 133
Temperature: 1.283333
Total energy: -212.799980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.799980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.799980 (E_RNA)
where:
Base-Base interactions energy: -125.897
where: short stacking energy: -77.252
Base-Backbone interact. energy: 2.115
local terms energy: -89.017940
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -13.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 133
Temperature: 1.666667
Total energy: -87.502432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.502432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.502432 (E_RNA)
where:
Base-Base interactions energy: -31.756
where: short stacking energy: -16.793
Base-Backbone interact. energy: -0.854
local terms energy: -54.892235
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -25.837
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: 9.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 133
Temperature: 2.050000
Total energy: -67.949085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.949085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.949085 (E_RNA)
where:
Base-Base interactions energy: -15.514
where: short stacking energy: -14.074
Base-Backbone interact. energy: -0.659
local terms energy: -51.775733
where:
bonds (distance) C4'-P energy: -25.828
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: 10.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 133
Temperature: 2.433333
Total energy: -42.167267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.167267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.167267 (E_RNA)
where:
Base-Base interactions energy: -6.190
where: short stacking energy: -2.672
Base-Backbone interact. energy: -1.433
local terms energy: -34.544417
where:
bonds (distance) C4'-P energy: -20.642
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: 0.306
tors. eta vs tors. theta energy: 16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 133
Temperature: 2.816667
Total energy: -39.799528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.799528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.799528 (E_RNA)
where:
Base-Base interactions energy: -13.059
where: short stacking energy: -10.981
Base-Backbone interact. energy: 0.654
local terms energy: -27.393963
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -0.221
flat angles P-C4'-P energy: -1.661
tors. eta vs tors. theta energy: 11.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 133
Temperature: 3.200000
Total energy: -32.237823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.237823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.237823 (E_RNA)
where:
Base-Base interactions energy: -7.602
where: short stacking energy: -4.936
Base-Backbone interact. energy: 0.596
local terms energy: -25.231754
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -7.185
flat angles P-C4'-P energy: -4.957
tors. eta vs tors. theta energy: 16.072
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: 10
=====================================
Write number: 133
Temperature: 3.583333
Total energy: -12.551677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.551677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.551677 (E_RNA)
where:
Base-Base interactions energy: -3.859
where: short stacking energy: -2.584
Base-Backbone interact. energy: -0.218
local terms energy: -8.474437
where:
bonds (distance) C4'-P energy: 1.369
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: 1.912
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: 14.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 133
Temperature: 3.966667
Total energy: -15.202743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.202743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.202743 (E_RNA)
where:
Base-Base interactions energy: -7.390
where: short stacking energy: -3.747
Base-Backbone interact. energy: 1.943
local terms energy: -9.755017
where:
bonds (distance) C4'-P energy: -8.995
bonds (distance) P-C4' energy: -6.651
flat angles C4'-P-C4' energy: -4.173
flat angles P-C4'-P energy: -3.257
tors. eta vs tors. theta energy: 13.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 4.350000
Total energy: 2.753274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 2.753274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 2.753274 (E_RNA)
where:
Base-Base interactions energy: -0.485
where: short stacking energy: -0.485
Base-Backbone interact. energy: 2.655
local terms energy: 0.583890
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -5.958
flat angles C4'-P-C4' energy: -3.668
flat angles P-C4'-P energy: 8.724
tors. eta vs tors. theta energy: 13.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -377.901848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.901848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.901848 (E_RNA)
where:
Base-Base interactions energy: -254.423
where: short stacking energy: -121.712
Base-Backbone interact. energy: -0.101
local terms energy: -123.377449
where:
bonds (distance) C4'-P energy: -21.437
bonds (distance) P-C4' energy: -27.062
flat angles C4'-P-C4' energy: -24.430
flat angles P-C4'-P energy: -17.179
tors. eta vs tors. theta energy: -33.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 134
Temperature: 1.283333
Total energy: -225.879086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.879086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.879086 (E_RNA)
where:
Base-Base interactions energy: -134.549
where: short stacking energy: -77.274
Base-Backbone interact. energy: -0.217
local terms energy: -91.112301
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -22.049
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -18.185
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: 5
=====================================
Write number: 134
Temperature: 1.666667
Total energy: -85.177927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.177927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.177927 (E_RNA)
where:
Base-Base interactions energy: -40.346
where: short stacking energy: -34.691
Base-Backbone interact. energy: -1.272
local terms energy: -43.559988
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -18.043
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -1.363
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: 4, replica: 3
=====================================
Write number: 134
Temperature: 2.050000
Total energy: -59.227631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.227631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.227631 (E_RNA)
where:
Base-Base interactions energy: -18.124
where: short stacking energy: -17.308
Base-Backbone interact. energy: -0.213
local terms energy: -40.891441
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -5.131
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: 3.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 134
Temperature: 2.433333
Total energy: -48.874774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.874774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.874774 (E_RNA)
where:
Base-Base interactions energy: -9.317
where: short stacking energy: -9.317
Base-Backbone interact. energy: -0.658
local terms energy: -38.899037
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -8.206
flat angles P-C4'-P energy: 1.067
tors. eta vs tors. theta energy: 6.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 134
Temperature: 2.816667
Total energy: -35.620672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.620672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.620672 (E_RNA)
where:
Base-Base interactions energy: -3.293
where: short stacking energy: -3.765
Base-Backbone interact. energy: 0.003
local terms energy: -32.330428
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -9.518
flat angles P-C4'-P energy: 3.722
tors. eta vs tors. theta energy: 7.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 134
Temperature: 3.200000
Total energy: -15.407378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.407378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.407378 (E_RNA)
where:
Base-Base interactions energy: -2.156
where: short stacking energy: -1.516
Base-Backbone interact. energy: -0.753
local terms energy: -12.498166
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -4.395
flat angles P-C4'-P energy: 3.502
tors. eta vs tors. theta energy: 16.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 134
Temperature: 3.583333
Total energy: -13.799967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.799967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.799967 (E_RNA)
where:
Base-Base interactions energy: -1.803
where: short stacking energy: 2.814
Base-Backbone interact. energy: 1.273
local terms energy: -13.269750
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: 5.432
flat angles P-C4'-P energy: -1.531
tors. eta vs tors. theta energy: 15.014
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: 8
=====================================
Write number: 134
Temperature: 3.966667
Total energy: -15.620934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.620934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.620934 (E_RNA)
where:
Base-Base interactions energy: -1.548
where: short stacking energy: -1.548
Base-Backbone interact. energy: 4.082
local terms energy: -18.154836
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -1.222
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -1.548
tors. eta vs tors. theta energy: 9.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 134
Temperature: 4.350000
Total energy: -0.735468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.735468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.735468 (E_RNA)
where:
Base-Base interactions energy: -5.509
where: short stacking energy: -2.316
Base-Backbone interact. energy: 0.025
local terms energy: 4.748608
where:
bonds (distance) C4'-P energy: -7.708
bonds (distance) P-C4' energy: -5.203
flat angles C4'-P-C4' energy: 3.066
flat angles P-C4'-P energy: -0.103
tors. eta vs tors. theta energy: 14.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -386.583340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.583340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.583340 (E_RNA)
where:
Base-Base interactions energy: -250.140
where: short stacking energy: -115.831
Base-Backbone interact. energy: -1.567
local terms energy: -134.876635
where:
bonds (distance) C4'-P energy: -29.177
bonds (distance) P-C4' energy: -27.410
flat angles C4'-P-C4' energy: -29.610
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -36.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 135
Temperature: 1.283333
Total energy: -202.134955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.134955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.134955 (E_RNA)
where:
Base-Base interactions energy: -121.450
where: short stacking energy: -72.707
Base-Backbone interact. energy: 0.055
local terms energy: -80.739643
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -19.669
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -15.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 135
Temperature: 1.666667
Total energy: -80.498093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.498093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.498093 (E_RNA)
where:
Base-Base interactions energy: -30.146
where: short stacking energy: -25.013
Base-Backbone interact. energy: -0.209
local terms energy: -50.143943
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: 10.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 135
Temperature: 2.050000
Total energy: -58.563715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.563715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.563715 (E_RNA)
where:
Base-Base interactions energy: -10.016
where: short stacking energy: -9.970
Base-Backbone interact. energy: -0.555
local terms energy: -47.993026
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: 4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 135
Temperature: 2.433333
Total energy: -44.392725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.392725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.392725 (E_RNA)
where:
Base-Base interactions energy: -17.431
where: short stacking energy: -12.999
Base-Backbone interact. energy: 4.083
local terms energy: -31.044148
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: 1.137
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: 7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 135
Temperature: 2.816667
Total energy: -35.575662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.575662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.575662 (E_RNA)
where:
Base-Base interactions energy: -10.843
where: short stacking energy: -9.483
Base-Backbone interact. energy: 0.711
local terms energy: -25.443713
where:
bonds (distance) C4'-P energy: -23.692
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -3.485
flat angles P-C4'-P energy: -3.585
tors. eta vs tors. theta energy: 16.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 135
Temperature: 3.200000
Total energy: -20.212246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.212246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.212246 (E_RNA)
where:
Base-Base interactions energy: -10.244
where: short stacking energy: -10.242
Base-Backbone interact. energy: 0.757
local terms energy: -10.725384
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -1.299
flat angles P-C4'-P energy: 2.383
tors. eta vs tors. theta energy: 11.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 135
Temperature: 3.583333
Total energy: -18.127001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.127001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.127001 (E_RNA)
where:
Base-Base interactions energy: -3.968
where: short stacking energy: -3.094
Base-Backbone interact. energy: -1.255
local terms energy: -12.903740
where:
bonds (distance) C4'-P energy: -1.545
bonds (distance) P-C4' energy: -6.565
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: 15.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 135
Temperature: 3.966667
Total energy: -17.098849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.098849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.098849 (E_RNA)
where:
Base-Base interactions energy: -6.093
where: short stacking energy: -5.609
Base-Backbone interact. energy: 0.133
local terms energy: -11.138670
where:
bonds (distance) C4'-P energy: -8.084
bonds (distance) P-C4' energy: -6.672
flat angles C4'-P-C4' energy: -7.602
flat angles P-C4'-P energy: -4.656
tors. eta vs tors. theta energy: 15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 135
Temperature: 4.350000
Total energy: -8.723681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.723681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.723681 (E_RNA)
where:
Base-Base interactions energy: -2.355
where: short stacking energy: -0.538
Base-Backbone interact. energy: 7.723
local terms energy: -14.092198
where:
bonds (distance) C4'-P energy: -4.193
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: 4.880
tors. eta vs tors. theta energy: 13.610
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: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -387.096869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.096869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.096869 (E_RNA)
where:
Base-Base interactions energy: -258.541
where: short stacking energy: -115.033
Base-Backbone interact. energy: -0.963
local terms energy: -127.592178
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -25.748
flat angles C4'-P-C4' energy: -25.563
flat angles P-C4'-P energy: -18.064
tors. eta vs tors. theta energy: -37.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 136
Temperature: 1.283333
Total energy: -188.156185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.156185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.156185 (E_RNA)
where:
Base-Base interactions energy: -102.823
where: short stacking energy: -56.571
Base-Backbone interact. energy: -0.421
local terms energy: -84.912295
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -22.353
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 136
Temperature: 1.666667
Total energy: -83.862113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.862113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.862113 (E_RNA)
where:
Base-Base interactions energy: -22.006
where: short stacking energy: -13.366
Base-Backbone interact. energy: -0.150
local terms energy: -61.706083
where:
bonds (distance) C4'-P energy: -22.119
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: 6.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 136
Temperature: 2.050000
Total energy: -57.685969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.685969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.685969 (E_RNA)
where:
Base-Base interactions energy: -10.428
where: short stacking energy: -10.135
Base-Backbone interact. energy: -0.260
local terms energy: -46.998686
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -1.008
tors. eta vs tors. theta energy: 8.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 136
Temperature: 2.433333
Total energy: -53.159019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.159019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.159019 (E_RNA)
where:
Base-Base interactions energy: -17.488
where: short stacking energy: -15.702
Base-Backbone interact. energy: 0.020
local terms energy: -35.690492
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -7.003
flat angles P-C4'-P energy: -3.822
tors. eta vs tors. theta energy: 8.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 136
Temperature: 2.816667
Total energy: -35.862121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.862121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.862121 (E_RNA)
where:
Base-Base interactions energy: -9.140
where: short stacking energy: -0.310
Base-Backbone interact. energy: 2.469
local terms energy: -29.190847
where:
bonds (distance) C4'-P energy: -8.532
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -21.647
flat angles P-C4'-P energy: 3.097
tors. eta vs tors. theta energy: 10.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 136
Temperature: 3.200000
Total energy: -21.278131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.278131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.278131 (E_RNA)
where:
Base-Base interactions energy: -7.603
where: short stacking energy: -5.733
Base-Backbone interact. energy: 3.837
local terms energy: -17.512565
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -8.825
flat angles P-C4'-P energy: 3.996
tors. eta vs tors. theta energy: 17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 136
Temperature: 3.583333
Total energy: -22.882294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.882294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.882294 (E_RNA)
where:
Base-Base interactions energy: -6.671
where: short stacking energy: -6.671
Base-Backbone interact. energy: 1.222
local terms energy: -17.433495
where:
bonds (distance) C4'-P energy: -7.956
bonds (distance) P-C4' energy: -0.612
flat angles C4'-P-C4' energy: -7.206
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: 13.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 3.966667
Total energy: -10.838797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.838797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.838797 (E_RNA)
where:
Base-Base interactions energy: -0.405
where: short stacking energy: -0.405
Base-Backbone interact. energy: -0.126
local terms energy: -10.308121
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: 9.831
tors. eta vs tors. theta energy: 16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 136
Temperature: 4.350000
Total energy: -6.289328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.289328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.289328 (E_RNA)
where:
Base-Base interactions energy: -1.895
where: short stacking energy: -1.597
Base-Backbone interact. energy: 1.334
local terms energy: -5.728351
where:
bonds (distance) C4'-P energy: -10.378
bonds (distance) P-C4' energy: -4.052
flat angles C4'-P-C4' energy: -6.025
flat angles P-C4'-P energy: -3.113
tors. eta vs tors. theta energy: 17.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -385.535465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.535465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.535465 (E_RNA)
where:
Base-Base interactions energy: -261.974
where: short stacking energy: -111.430
Base-Backbone interact. energy: -0.767
local terms energy: -122.794056
where:
bonds (distance) C4'-P energy: -26.048
bonds (distance) P-C4' energy: -24.888
flat angles C4'-P-C4' energy: -24.245
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -32.238
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: 2
=====================================
Write number: 137
Temperature: 1.283333
Total energy: -178.983480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.983480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.983480 (E_RNA)
where:
Base-Base interactions energy: -89.375
where: short stacking energy: -47.581
Base-Backbone interact. energy: -1.230
local terms energy: -88.378138
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -28.420
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -15.162
tors. eta vs tors. theta energy: -8.398
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: 5
=====================================
Write number: 137
Temperature: 1.666667
Total energy: -104.716163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.716163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.716163 (E_RNA)
where:
Base-Base interactions energy: -37.780
where: short stacking energy: -31.590
Base-Backbone interact. energy: -0.146
local terms energy: -66.789923
where:
bonds (distance) C4'-P energy: -21.775
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 137
Temperature: 2.050000
Total energy: -65.529513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.529513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.529513 (E_RNA)
where:
Base-Base interactions energy: -17.880
where: short stacking energy: -17.880
Base-Backbone interact. energy: -0.232
local terms energy: -47.417871
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: 7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 137
Temperature: 2.433333
Total energy: -57.640288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.640288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.640288 (E_RNA)
where:
Base-Base interactions energy: -20.727
where: short stacking energy: -17.286
Base-Backbone interact. energy: -0.034
local terms energy: -36.879672
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: 0.728
tors. eta vs tors. theta energy: 9.915
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: 4
=====================================
Write number: 137
Temperature: 2.816667
Total energy: -35.278386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.278386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.278386 (E_RNA)
where:
Base-Base interactions energy: -7.306
where: short stacking energy: -7.306
Base-Backbone interact. energy: 0.569
local terms energy: -28.541115
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -2.442
flat angles P-C4'-P energy: -4.178
tors. eta vs tors. theta energy: 10.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 137
Temperature: 3.200000
Total energy: -23.564414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.564414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.564414 (E_RNA)
where:
Base-Base interactions energy: -6.997
where: short stacking energy: -6.821
Base-Backbone interact. energy: 8.543
local terms energy: -25.109680
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -6.282
flat angles P-C4'-P energy: 6.297
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: 8, replica: 8
=====================================
Write number: 137
Temperature: 3.583333
Total energy: -18.994180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.994180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.994180 (E_RNA)
where:
Base-Base interactions energy: -4.598
where: short stacking energy: -1.291
Base-Backbone interact. energy: 2.655
local terms energy: -17.051516
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -18.919
flat angles C4'-P-C4' energy: -4.093
flat angles P-C4'-P energy: 0.944
tors. eta vs tors. theta energy: 14.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 137
Temperature: 3.966667
Total energy: -7.539909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.539909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.539909 (E_RNA)
where:
Base-Base interactions energy: -6.412
where: short stacking energy: -7.612
Base-Backbone interact. energy: 2.962
local terms energy: -4.090661
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: 3.304
flat angles P-C4'-P energy: -2.338
tors. eta vs tors. theta energy: 19.258
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: 10, replica: 6
=====================================
Write number: 137
Temperature: 4.350000
Total energy: -0.525823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.525823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.525823 (E_RNA)
where:
Base-Base interactions energy: -2.254
where: short stacking energy: -2.125
Base-Backbone interact. energy: 7.454
local terms energy: -5.725879
where:
bonds (distance) C4'-P energy: -5.232
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -5.651
flat angles P-C4'-P energy: 3.457
tors. eta vs tors. theta energy: 17.241
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: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -384.803955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.803955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.803955 (E_RNA)
where:
Base-Base interactions energy: -255.753
where: short stacking energy: -127.984
Base-Backbone interact. energy: 0.807
local terms energy: -129.858161
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -29.291
flat angles P-C4'-P energy: -22.179
tors. eta vs tors. theta energy: -36.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 138
Temperature: 1.283333
Total energy: -192.193933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.193933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.193933 (E_RNA)
where:
Base-Base interactions energy: -108.284
where: short stacking energy: -63.808
Base-Backbone interact. energy: -0.416
local terms energy: -83.494047
where:
bonds (distance) C4'-P energy: -8.742
bonds (distance) P-C4' energy: -26.320
flat angles C4'-P-C4' energy: -21.301
flat angles P-C4'-P energy: -16.086
tors. eta vs tors. theta energy: -11.046
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: 5
=====================================
Write number: 138
Temperature: 1.666667
Total energy: -85.323081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.323081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.323081 (E_RNA)
where:
Base-Base interactions energy: -23.542
where: short stacking energy: -21.303
Base-Backbone interact. energy: -0.165
local terms energy: -61.615988
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -24.357
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: 7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 138
Temperature: 2.050000
Total energy: -66.277820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.277820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.277820 (E_RNA)
where:
Base-Base interactions energy: -18.673
where: short stacking energy: -18.746
Base-Backbone interact. energy: -0.374
local terms energy: -47.230226
where:
bonds (distance) C4'-P energy: -20.887
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: 0.213
tors. eta vs tors. theta energy: 8.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 138
Temperature: 2.433333
Total energy: -45.645777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.645777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.645777 (E_RNA)
where:
Base-Base interactions energy: -11.498
where: short stacking energy: -10.902
Base-Backbone interact. energy: -0.376
local terms energy: -33.772091
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: 13.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 138
Temperature: 2.816667
Total energy: -35.421866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.421866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.421866 (E_RNA)
where:
Base-Base interactions energy: -12.446
where: short stacking energy: -10.664
Base-Backbone interact. energy: 0.689
local terms energy: -23.664945
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -7.187
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -0.883
tors. eta vs tors. theta energy: 7.950
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: 8
=====================================
Write number: 138
Temperature: 3.200000
Total energy: -32.277113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.277113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.277113 (E_RNA)
where:
Base-Base interactions energy: -5.474
where: short stacking energy: -5.474
Base-Backbone interact. energy: -0.921
local terms energy: -25.882593
where:
bonds (distance) C4'-P energy: -9.455
bonds (distance) P-C4' energy: -20.723
flat angles C4'-P-C4' energy: -7.821
flat angles P-C4'-P energy: -0.481
tors. eta vs tors. theta energy: 12.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 138
Temperature: 3.583333
Total energy: -21.816709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.816709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.816709 (E_RNA)
where:
Base-Base interactions energy: -6.693
where: short stacking energy: -0.625
Base-Backbone interact. energy: -0.013
local terms energy: -15.110772
where:
bonds (distance) C4'-P energy: -5.525
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -4.379
flat angles P-C4'-P energy: -4.613
tors. eta vs tors. theta energy: 19.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 138
Temperature: 3.966667
Total energy: -16.777418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.777418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.777418 (E_RNA)
where:
Base-Base interactions energy: -9.154
where: short stacking energy: -0.362
Base-Backbone interact. energy: 3.746
local terms energy: -11.368621
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: 0.894
flat angles P-C4'-P energy: 3.234
tors. eta vs tors. theta energy: 13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 138
Temperature: 4.350000
Total energy: -1.358638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.358638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.358638 (E_RNA)
where:
Base-Base interactions energy: -12.299
where: short stacking energy: -4.619
Base-Backbone interact. energy: -0.814
local terms energy: 11.753457
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -5.899
flat angles C4'-P-C4' energy: 3.465
flat angles P-C4'-P energy: 13.251
tors. eta vs tors. theta energy: 15.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -396.404990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.404990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.404990 (E_RNA)
where:
Base-Base interactions energy: -264.322
where: short stacking energy: -116.430
Base-Backbone interact. energy: -0.935
local terms energy: -131.147231
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -27.606
flat angles C4'-P-C4' energy: -30.387
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -33.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 139
Temperature: 1.283333
Total energy: -175.290246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.290246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.290246 (E_RNA)
where:
Base-Base interactions energy: -97.821
where: short stacking energy: -54.178
Base-Backbone interact. energy: 0.040
local terms energy: -77.509477
where:
bonds (distance) C4'-P energy: -23.221
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 139
Temperature: 1.666667
Total energy: -90.331015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.331015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.331015 (E_RNA)
where:
Base-Base interactions energy: -23.833
where: short stacking energy: -23.833
Base-Backbone interact. energy: -0.726
local terms energy: -65.772146
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -19.916
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -14.319
tors. eta vs tors. theta energy: 7.747
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: 3
=====================================
Write number: 139
Temperature: 2.050000
Total energy: -64.685717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.685717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.685717 (E_RNA)
where:
Base-Base interactions energy: -18.782
where: short stacking energy: -14.101
Base-Backbone interact. energy: 2.765
local terms energy: -48.668508
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: 8.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 139
Temperature: 2.433333
Total energy: -46.129798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.129798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.129798 (E_RNA)
where:
Base-Base interactions energy: -9.637
where: short stacking energy: -9.450
Base-Backbone interact. energy: 5.408
local terms energy: -41.900860
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -6.018
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: 13.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 139
Temperature: 2.816667
Total energy: -33.821808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.821808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.821808 (E_RNA)
where:
Base-Base interactions energy: -15.138
where: short stacking energy: -14.825
Base-Backbone interact. energy: 4.469
local terms energy: -23.151966
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -7.483
flat angles P-C4'-P energy: -0.374
tors. eta vs tors. theta energy: 8.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 139
Temperature: 3.200000
Total energy: -31.360420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.360420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.360420 (E_RNA)
where:
Base-Base interactions energy: -6.182
where: short stacking energy: -2.632
Base-Backbone interact. energy: 1.252
local terms energy: -26.430593
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -1.170
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: 15.039
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: 6
=====================================
Write number: 139
Temperature: 3.583333
Total energy: -7.577993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.577993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.577993 (E_RNA)
where:
Base-Base interactions energy: -5.424
where: short stacking energy: -5.424
Base-Backbone interact. energy: 1.012
local terms energy: -3.166231
where:
bonds (distance) C4'-P energy: -9.071
bonds (distance) P-C4' energy: -10.466
flat angles C4'-P-C4' energy: 0.429
flat angles P-C4'-P energy: -3.699
tors. eta vs tors. theta energy: 19.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 139
Temperature: 3.966667
Total energy: -11.563316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.563316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.563316 (E_RNA)
where:
Base-Base interactions energy: -4.713
where: short stacking energy: -0.633
Base-Backbone interact. energy: 6.116
local terms energy: -12.966044
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: 3.626
flat angles P-C4'-P energy: -0.339
tors. eta vs tors. theta energy: 18.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 139
Temperature: 4.350000
Total energy: -2.878195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.878195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.878195 (E_RNA)
where:
Base-Base interactions energy: -0.901
where: short stacking energy: -0.698
Base-Backbone interact. energy: 0.319
local terms energy: -2.295678
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -9.175
flat angles C4'-P-C4' energy: -2.907
flat angles P-C4'-P energy: 3.051
tors. eta vs tors. theta energy: 18.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -390.160668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.160668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.160668 (E_RNA)
where:
Base-Base interactions energy: -259.075
where: short stacking energy: -116.732
Base-Backbone interact. energy: -0.623
local terms energy: -130.462152
where:
bonds (distance) C4'-P energy: -25.725
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -27.317
flat angles P-C4'-P energy: -17.334
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: 2, replica: 2
=====================================
Write number: 140
Temperature: 1.283333
Total energy: -204.360469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.360469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.360469 (E_RNA)
where:
Base-Base interactions energy: -110.161
where: short stacking energy: -63.299
Base-Backbone interact. energy: -0.088
local terms energy: -94.110698
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -25.797
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -16.588
tors. eta vs tors. theta energy: -13.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 140
Temperature: 1.666667
Total energy: -87.389658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.389658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.389658 (E_RNA)
where:
Base-Base interactions energy: -25.013
where: short stacking energy: -25.013
Base-Backbone interact. energy: 1.520
local terms energy: -63.897110
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -26.235
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: 4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 2.050000
Total energy: -69.101670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.101670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.101670 (E_RNA)
where:
Base-Base interactions energy: -27.398
where: short stacking energy: -24.273
Base-Backbone interact. energy: 1.007
local terms energy: -42.710883
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -4.111
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: 7.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 140
Temperature: 2.433333
Total energy: -42.156471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.156471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.156471 (E_RNA)
where:
Base-Base interactions energy: -9.949
where: short stacking energy: -10.649
Base-Backbone interact. energy: 6.424
local terms energy: -38.631398
where:
bonds (distance) C4'-P energy: -23.863
bonds (distance) P-C4' energy: -10.036
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: 13.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 2.816667
Total energy: -33.156237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.156237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.156237 (E_RNA)
where:
Base-Base interactions energy: -10.973
where: short stacking energy: -10.006
Base-Backbone interact. energy: 1.312
local terms energy: -23.494810
where:
bonds (distance) C4'-P energy: -6.291
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -0.870
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: 12.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 140
Temperature: 3.200000
Total energy: -38.604800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.604800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.604800 (E_RNA)
where:
Base-Base interactions energy: -1.531
where: short stacking energy: 0.000
Base-Backbone interact. energy: 0.101
local terms energy: -37.174412
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: 19.847
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: 8
=====================================
Write number: 140
Temperature: 3.583333
Total energy: -18.966672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.966672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.966672 (E_RNA)
where:
Base-Base interactions energy: -3.956
where: short stacking energy: -4.893
Base-Backbone interact. energy: 0.033
local terms energy: -15.043305
where:
bonds (distance) C4'-P energy: -8.992
bonds (distance) P-C4' energy: -6.096
flat angles C4'-P-C4' energy: -2.801
flat angles P-C4'-P energy: -3.822
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: 9, replica: 7
=====================================
Write number: 140
Temperature: 3.966667
Total energy: -9.677473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.677473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.677473 (E_RNA)
where:
Base-Base interactions energy: -10.682
where: short stacking energy: -9.335
Base-Backbone interact. energy: 0.401
local terms energy: 0.603040
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: 3.671
flat angles P-C4'-P energy: 10.470
tors. eta vs tors. theta energy: 17.293
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: 10
=====================================
Write number: 140
Temperature: 4.350000
Total energy: -3.018723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.018723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.018723 (E_RNA)
where:
Base-Base interactions energy: -3.941
where: short stacking energy: -3.941
Base-Backbone interact. energy: -0.580
local terms energy: 1.502282
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: 11.091
flat angles P-C4'-P energy: 10.430
tors. eta vs tors. theta energy: 9.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -391.059765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.059765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.059765 (E_RNA)
where:
Base-Base interactions energy: -274.221
where: short stacking energy: -119.770
Base-Backbone interact. energy: -0.622
local terms energy: -116.216783
where:
bonds (distance) C4'-P energy: -17.555
bonds (distance) P-C4' energy: -26.251
flat angles C4'-P-C4' energy: -26.511
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: -29.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 1.283333
Total energy: -202.952394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.952394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.952394 (E_RNA)
where:
Base-Base interactions energy: -106.443
where: short stacking energy: -55.467
Base-Backbone interact. energy: -0.229
local terms energy: -96.280475
where:
bonds (distance) C4'-P energy: -23.509
bonds (distance) P-C4' energy: -18.227
flat angles C4'-P-C4' energy: -23.025
flat angles P-C4'-P energy: -18.361
tors. eta vs tors. theta energy: -13.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 141
Temperature: 1.666667
Total energy: -107.497582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.497582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.497582 (E_RNA)
where:
Base-Base interactions energy: -49.353
where: short stacking energy: -29.010
Base-Backbone interact. energy: -0.593
local terms energy: -57.550990
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: 7.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 141
Temperature: 2.050000
Total energy: -67.219407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.219407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.219407 (E_RNA)
where:
Base-Base interactions energy: -22.725
where: short stacking energy: -12.897
Base-Backbone interact. energy: -0.910
local terms energy: -43.584652
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -9.072
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: 8.352
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: 3
=====================================
Write number: 141
Temperature: 2.433333
Total energy: -41.475747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.475747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.475747 (E_RNA)
where:
Base-Base interactions energy: -8.471
where: short stacking energy: -7.506
Base-Backbone interact. energy: -0.236
local terms energy: -32.768500
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -8.085
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: 15.912
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: 4
=====================================
Write number: 141
Temperature: 2.816667
Total energy: -34.408125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.408125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.408125 (E_RNA)
where:
Base-Base interactions energy: -15.690
where: short stacking energy: -10.617
Base-Backbone interact. energy: -0.387
local terms energy: -18.331439
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -0.503
flat angles P-C4'-P energy: -0.049
tors. eta vs tors. theta energy: 14.013
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: 6
=====================================
Write number: 141
Temperature: 3.200000
Total energy: -24.678455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.678455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.678455 (E_RNA)
where:
Base-Base interactions energy: -3.024
where: short stacking energy: -0.723
Base-Backbone interact. energy: -1.066
local terms energy: -20.588770
where:
bonds (distance) C4'-P energy: -3.452
bonds (distance) P-C4' energy: -19.261
flat angles C4'-P-C4' energy: -9.350
flat angles P-C4'-P energy: -4.385
tors. eta vs tors. theta energy: 15.859
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: 8
=====================================
Write number: 141
Temperature: 3.583333
Total energy: -13.497411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.497411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.497411 (E_RNA)
where:
Base-Base interactions energy: -0.552
where: short stacking energy: -0.552
Base-Backbone interact. energy: -0.847
local terms energy: -12.099021
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -2.215
flat angles P-C4'-P energy: -4.766
tors. eta vs tors. theta energy: 20.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 141
Temperature: 3.966667
Total energy: -10.819778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.819778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.819778 (E_RNA)
where:
Base-Base interactions energy: -6.994
where: short stacking energy: -1.443
Base-Backbone interact. energy: -0.332
local terms energy: -3.493979
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -9.909
flat angles C4'-P-C4' energy: 5.543
flat angles P-C4'-P energy: 2.018
tors. eta vs tors. theta energy: 15.822
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: 10
=====================================
Write number: 141
Temperature: 4.350000
Total energy: 1.817214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.817214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.817214 (E_RNA)
where:
Base-Base interactions energy: -9.022
where: short stacking energy: -4.301
Base-Backbone interact. energy: -0.237
local terms energy: 11.076368
where:
bonds (distance) C4'-P energy: -5.450
bonds (distance) P-C4' energy: -3.571
flat angles C4'-P-C4' energy: -8.437
flat angles P-C4'-P energy: 8.838
tors. eta vs tors. theta energy: 19.697
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: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -383.350399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.350399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.350399 (E_RNA)
where:
Base-Base interactions energy: -259.081
where: short stacking energy: -125.111
Base-Backbone interact. energy: -0.028
local terms energy: -124.242158
where:
bonds (distance) C4'-P energy: -24.582
bonds (distance) P-C4' energy: -25.060
flat angles C4'-P-C4' energy: -28.598
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -31.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 142
Temperature: 1.283333
Total energy: -183.124572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.124572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.124572 (E_RNA)
where:
Base-Base interactions energy: -108.069
where: short stacking energy: -49.938
Base-Backbone interact. energy: -0.222
local terms energy: -74.833582
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -21.191
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -4.849
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: 5
=====================================
Write number: 142
Temperature: 1.666667
Total energy: -90.119425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.119425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.119425 (E_RNA)
where:
Base-Base interactions energy: -35.972
where: short stacking energy: -29.926
Base-Backbone interact. energy: -0.304
local terms energy: -53.842616
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: 0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 142
Temperature: 2.050000
Total energy: -58.888893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.888893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.888893 (E_RNA)
where:
Base-Base interactions energy: -9.251
where: short stacking energy: -7.366
Base-Backbone interact. energy: 1.099
local terms energy: -50.736891
where:
bonds (distance) C4'-P energy: -22.946
bonds (distance) P-C4' energy: -22.065
flat angles C4'-P-C4' energy: -8.915
flat angles P-C4'-P energy: -0.607
tors. eta vs tors. theta energy: 3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 142
Temperature: 2.433333
Total energy: -46.273691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.273691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.273691 (E_RNA)
where:
Base-Base interactions energy: -18.726
where: short stacking energy: -5.364
Base-Backbone interact. energy: -0.685
local terms energy: -26.862545
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -1.868
tors. eta vs tors. theta energy: 13.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 142
Temperature: 2.816667
Total energy: -38.375077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.375077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.375077 (E_RNA)
where:
Base-Base interactions energy: -11.836
where: short stacking energy: -12.836
Base-Backbone interact. energy: 1.511
local terms energy: -28.050508
where:
bonds (distance) C4'-P energy: -22.797
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: 0.089
flat angles P-C4'-P energy: -5.226
tors. eta vs tors. theta energy: 13.171
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: 8
=====================================
Write number: 142
Temperature: 3.200000
Total energy: -26.982229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.982229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.982229 (E_RNA)
where:
Base-Base interactions energy: -6.633
where: short stacking energy: -6.297
Base-Backbone interact. energy: -0.548
local terms energy: -19.801186
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: 1.096
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: 18.322
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: 6
=====================================
Write number: 142
Temperature: 3.583333
Total energy: -13.799314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.799314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.799314 (E_RNA)
where:
Base-Base interactions energy: -5.734
where: short stacking energy: -1.858
Base-Backbone interact. energy: 0.210
local terms energy: -8.275551
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -0.279
flat angles C4'-P-C4' energy: -5.280
flat angles P-C4'-P energy: -3.396
tors. eta vs tors. theta energy: 11.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 3.966667
Total energy: -0.526130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.526130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.526130 (E_RNA)
where:
Base-Base interactions energy: -3.395
where: short stacking energy: -6.195
Base-Backbone interact. energy: 5.168
local terms energy: -2.298149
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: 2.548
flat angles C4'-P-C4' energy: -0.466
flat angles P-C4'-P energy: -2.003
tors. eta vs tors. theta energy: 14.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 4.350000
Total energy: -0.348664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.348664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.348664 (E_RNA)
where:
Base-Base interactions energy: -1.517
where: short stacking energy: -1.160
Base-Backbone interact. energy: -0.375
local terms energy: 1.543237
where:
bonds (distance) C4'-P energy: 2.018
bonds (distance) P-C4' energy: -7.674
flat angles C4'-P-C4' energy: 1.649
flat angles P-C4'-P energy: -5.643
tors. eta vs tors. theta energy: 11.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -382.654026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.654026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.654026 (E_RNA)
where:
Base-Base interactions energy: -249.278
where: short stacking energy: -115.909
Base-Backbone interact. energy: -0.153
local terms energy: -133.222454
where:
bonds (distance) C4'-P energy: -22.513
bonds (distance) P-C4' energy: -29.201
flat angles C4'-P-C4' energy: -30.078
flat angles P-C4'-P energy: -17.851
tors. eta vs tors. theta energy: -33.579
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: 2
=====================================
Write number: 143
Temperature: 1.283333
Total energy: -185.683100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.683100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.683100 (E_RNA)
where:
Base-Base interactions energy: -98.662
where: short stacking energy: -51.571
Base-Backbone interact. energy: -0.258
local terms energy: -86.762414
where:
bonds (distance) C4'-P energy: -27.488
bonds (distance) P-C4' energy: -25.430
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -8.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 143
Temperature: 1.666667
Total energy: -79.836261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.836261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.836261 (E_RNA)
where:
Base-Base interactions energy: -26.774
where: short stacking energy: -19.367
Base-Backbone interact. energy: -0.273
local terms energy: -52.789034
where:
bonds (distance) C4'-P energy: -23.895
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -9.450
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: 4.633
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: 9
=====================================
Write number: 143
Temperature: 2.050000
Total energy: -66.208000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.208000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.208000 (E_RNA)
where:
Base-Base interactions energy: -16.178
where: short stacking energy: -14.457
Base-Backbone interact. energy: 2.423
local terms energy: -52.452567
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -4.952
tors. eta vs tors. theta energy: 5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 2.433333
Total energy: -57.115436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.115436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.115436 (E_RNA)
where:
Base-Base interactions energy: -13.791
where: short stacking energy: -12.836
Base-Backbone interact. energy: -0.303
local terms energy: -43.021063
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -19.988
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: -14.485
tors. eta vs tors. theta energy: 14.885
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: 4
=====================================
Write number: 143
Temperature: 2.816667
Total energy: -49.133104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.133104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.133104 (E_RNA)
where:
Base-Base interactions energy: -10.571
where: short stacking energy: -10.571
Base-Backbone interact. energy: -1.018
local terms energy: -37.543859
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: 16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 143
Temperature: 3.200000
Total energy: -21.054052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.054052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.054052 (E_RNA)
where:
Base-Base interactions energy: -3.135
where: short stacking energy: -3.135
Base-Backbone interact. energy: 1.532
local terms energy: -19.450914
where:
bonds (distance) C4'-P energy: -5.377
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: 2.772
tors. eta vs tors. theta energy: 15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 3.583333
Total energy: -16.145065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.145065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.145065 (E_RNA)
where:
Base-Base interactions energy: -3.831
where: short stacking energy: -3.831
Base-Backbone interact. energy: 0.840
local terms energy: -13.153981
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -3.773
flat angles P-C4'-P energy: 7.135
tors. eta vs tors. theta energy: 21.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 3.966667
Total energy: -6.506368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.506368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.506368 (E_RNA)
where:
Base-Base interactions energy: -5.760
where: short stacking energy: -2.569
Base-Backbone interact. energy: 1.429
local terms energy: -2.175556
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -2.293
flat angles P-C4'-P energy: 8.603
tors. eta vs tors. theta energy: 13.071
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: 10
=====================================
Write number: 143
Temperature: 4.350000
Total energy: -3.997000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.997000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.997000 (E_RNA)
where:
Base-Base interactions energy: -2.985
where: short stacking energy: -2.748
Base-Backbone interact. energy: 2.884
local terms energy: -3.896135
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -3.693
flat angles C4'-P-C4' energy: -7.205
flat angles P-C4'-P energy: 0.046
tors. eta vs tors. theta energy: 13.098
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: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -381.865885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.865885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.865885 (E_RNA)
where:
Base-Base interactions energy: -256.607
where: short stacking energy: -122.800
Base-Backbone interact. energy: -0.158
local terms energy: -125.100941
where:
bonds (distance) C4'-P energy: -24.160
bonds (distance) P-C4' energy: -25.786
flat angles C4'-P-C4' energy: -26.264
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -32.707
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: 2
=====================================
Write number: 144
Temperature: 1.283333
Total energy: -185.911592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.911592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.911592 (E_RNA)
where:
Base-Base interactions energy: -102.398
where: short stacking energy: -57.804
Base-Backbone interact. energy: 1.938
local terms energy: -85.450953
where:
bonds (distance) C4'-P energy: -23.919
bonds (distance) P-C4' energy: -22.716
flat angles C4'-P-C4' energy: -23.498
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 144
Temperature: 1.666667
Total energy: -78.801385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.801385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.801385 (E_RNA)
where:
Base-Base interactions energy: -26.786
where: short stacking energy: -22.653
Base-Backbone interact. energy: -0.253
local terms energy: -51.762930
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: 1.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 144
Temperature: 2.050000
Total energy: -60.690599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.690599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.690599 (E_RNA)
where:
Base-Base interactions energy: -14.591
where: short stacking energy: -8.257
Base-Backbone interact. energy: 0.272
local terms energy: -46.372550
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -22.835
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: 9.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 144
Temperature: 2.433333
Total energy: -44.742777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.742777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.742777 (E_RNA)
where:
Base-Base interactions energy: -10.355
where: short stacking energy: -10.355
Base-Backbone interact. energy: -0.378
local terms energy: -34.009887
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: 18.815
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: 3
=====================================
Write number: 144
Temperature: 2.816667
Total energy: -33.278703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.278703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.278703 (E_RNA)
where:
Base-Base interactions energy: -14.612
where: short stacking energy: -11.273
Base-Backbone interact. energy: 2.035
local terms energy: -20.701145
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -6.170
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -0.821
tors. eta vs tors. theta energy: 11.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 144
Temperature: 3.200000
Total energy: -23.962958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.962958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.962958 (E_RNA)
where:
Base-Base interactions energy: -9.270
where: short stacking energy: -3.978
Base-Backbone interact. energy: -0.194
local terms energy: -14.499084
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -9.496
flat angles C4'-P-C4' energy: -5.986
flat angles P-C4'-P energy: 5.803
tors. eta vs tors. theta energy: 12.259
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: 8
=====================================
Write number: 144
Temperature: 3.583333
Total energy: -9.871854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.871854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.871854 (E_RNA)
where:
Base-Base interactions energy: -15.531
where: short stacking energy: -10.160
Base-Backbone interact. energy: 7.151
local terms energy: -1.491977
where:
bonds (distance) C4'-P energy: -8.731
bonds (distance) P-C4' energy: -7.802
flat angles C4'-P-C4' energy: -7.122
flat angles P-C4'-P energy: 10.018
tors. eta vs tors. theta energy: 12.145
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: 144
Temperature: 3.966667
Total energy: -7.732281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.732281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.732281 (E_RNA)
where:
Base-Base interactions energy: -2.187
where: short stacking energy: -2.187
Base-Backbone interact. energy: -0.664
local terms energy: -4.881481
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: 7.190
flat angles P-C4'-P energy: -2.574
tors. eta vs tors. theta energy: 17.150
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: 7
=====================================
Write number: 144
Temperature: 4.350000
Total energy: 0.384803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.384803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.384803 (E_RNA)
where:
Base-Base interactions energy: -3.722
where: short stacking energy: -1.268
Base-Backbone interact. energy: 15.110
local terms energy: -11.003468
where:
bonds (distance) C4'-P energy: -6.708
bonds (distance) P-C4' energy: -17.394
flat angles C4'-P-C4' energy: 4.561
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: 15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -382.645891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.645891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.645891 (E_RNA)
where:
Base-Base interactions energy: -254.331
where: short stacking energy: -115.079
Base-Backbone interact. energy: -0.215
local terms energy: -128.099482
where:
bonds (distance) C4'-P energy: -22.447
bonds (distance) P-C4' energy: -28.220
flat angles C4'-P-C4' energy: -27.644
flat angles P-C4'-P energy: -15.792
tors. eta vs tors. theta energy: -33.997
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: 2
=====================================
Write number: 145
Temperature: 1.283333
Total energy: -185.059061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.059061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.059061 (E_RNA)
where:
Base-Base interactions energy: -104.358
where: short stacking energy: -54.665
Base-Backbone interact. energy: 0.134
local terms energy: -80.834414
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -22.958
flat angles P-C4'-P energy: -16.952
tors. eta vs tors. theta energy: -2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 145
Temperature: 1.666667
Total energy: -93.374828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.374828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.374828 (E_RNA)
where:
Base-Base interactions energy: -26.448
where: short stacking energy: -21.951
Base-Backbone interact. energy: -0.766
local terms energy: -66.161222
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -25.240
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: 3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 145
Temperature: 2.050000
Total energy: -67.199005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.199005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.199005 (E_RNA)
where:
Base-Base interactions energy: -17.861
where: short stacking energy: -16.901
Base-Backbone interact. energy: -0.394
local terms energy: -48.943867
where:
bonds (distance) C4'-P energy: -21.870
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: 6.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 145
Temperature: 2.433333
Total energy: -47.938603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.938603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.938603 (E_RNA)
where:
Base-Base interactions energy: -12.977
where: short stacking energy: -8.038
Base-Backbone interact. energy: 0.119
local terms energy: -35.080777
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -4.731
tors. eta vs tors. theta energy: 9.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 145
Temperature: 2.816667
Total energy: -39.101295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.101295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.101295 (E_RNA)
where:
Base-Base interactions energy: -13.032
where: short stacking energy: -13.402
Base-Backbone interact. energy: -0.341
local terms energy: -25.728642
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: 0.013
tors. eta vs tors. theta energy: 12.449
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: 145
Temperature: 3.200000
Total energy: -21.604824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.604824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.604824 (E_RNA)
where:
Base-Base interactions energy: -4.639
where: short stacking energy: -1.321
Base-Backbone interact. energy: -0.113
local terms energy: -16.852651
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: 1.437
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: 16.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 145
Temperature: 3.583333
Total energy: -9.251202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.251202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.251202 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: 4.056
local terms energy: -13.307412
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -7.779
flat angles C4'-P-C4' energy: -7.969
flat angles P-C4'-P energy: 2.959
tors. eta vs tors. theta energy: 19.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 145
Temperature: 3.966667
Total energy: -11.135643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.135643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.135643 (E_RNA)
where:
Base-Base interactions energy: -7.728
where: short stacking energy: -7.203
Base-Backbone interact. energy: 3.527
local terms energy: -6.934768
where:
bonds (distance) C4'-P energy: -4.607
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -6.323
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: 17.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 145
Temperature: 4.350000
Total energy: -6.012655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.012655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.012655 (E_RNA)
where:
Base-Base interactions energy: -4.114
where: short stacking energy: -3.185
Base-Backbone interact. energy: -0.280
local terms energy: -1.619019
where:
bonds (distance) C4'-P energy: -11.373
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -0.522
flat angles P-C4'-P energy: 1.018
tors. eta vs tors. theta energy: 15.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -379.892568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.892568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.892568 (E_RNA)
where:
Base-Base interactions energy: -256.424
where: short stacking energy: -111.560
Base-Backbone interact. energy: -0.860
local terms energy: -122.608255
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -23.132
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -17.403
tors. eta vs tors. theta energy: -33.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 146
Temperature: 1.283333
Total energy: -193.192373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.192373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.192373 (E_RNA)
where:
Base-Base interactions energy: -109.639
where: short stacking energy: -56.863
Base-Backbone interact. energy: -0.443
local terms energy: -83.111292
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -26.116
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -5.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.666667
Total energy: -97.659678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.659678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.659678 (E_RNA)
where:
Base-Base interactions energy: -36.805
where: short stacking energy: -36.666
Base-Backbone interact. energy: 0.040
local terms energy: -60.895098
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -21.671
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: 2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 146
Temperature: 2.050000
Total energy: -63.882851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.882851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.882851 (E_RNA)
where:
Base-Base interactions energy: -8.250
where: short stacking energy: -8.250
Base-Backbone interact. energy: 1.766
local terms energy: -57.399142
where:
bonds (distance) C4'-P energy: -20.532
bonds (distance) P-C4' energy: -22.271
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: 6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 146
Temperature: 2.433333
Total energy: -47.353764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.353764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.353764 (E_RNA)
where:
Base-Base interactions energy: -17.596
where: short stacking energy: -15.353
Base-Backbone interact. energy: 0.813
local terms energy: -30.570186
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -9.655
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -6.870
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: 6, replica: 4
=====================================
Write number: 146
Temperature: 2.816667
Total energy: -29.332365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.332365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.332365 (E_RNA)
where:
Base-Base interactions energy: -5.682
where: short stacking energy: -3.906
Base-Backbone interact. energy: 0.821
local terms energy: -24.471242
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -10.149
flat angles C4'-P-C4' energy: -2.922
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: 17.258
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: 146
Temperature: 3.200000
Total energy: -32.263795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.263795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.263795 (E_RNA)
where:
Base-Base interactions energy: -13.606
where: short stacking energy: -7.559
Base-Backbone interact. energy: 2.527
local terms energy: -21.184934
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: 15.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 146
Temperature: 3.583333
Total energy: -22.481396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.481396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.481396 (E_RNA)
where:
Base-Base interactions energy: -14.689
where: short stacking energy: -14.316
Base-Backbone interact. energy: -0.270
local terms energy: -7.521963
where:
bonds (distance) C4'-P energy: -3.921
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -2.519
flat angles P-C4'-P energy: 4.626
tors. eta vs tors. theta energy: 9.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 146
Temperature: 3.966667
Total energy: -15.567276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.567276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.567276 (E_RNA)
where:
Base-Base interactions energy: -6.155
where: short stacking energy: -0.107
Base-Backbone interact. energy: -0.963
local terms energy: -8.449863
where:
bonds (distance) C4'-P energy: -21.392
bonds (distance) P-C4' energy: -6.957
flat angles C4'-P-C4' energy: -1.494
flat angles P-C4'-P energy: 0.667
tors. eta vs tors. theta energy: 20.725
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: 7
=====================================
Write number: 146
Temperature: 4.350000
Total energy: -0.929927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.929927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.929927 (E_RNA)
where:
Base-Base interactions energy: -5.556
where: short stacking energy: -5.556
Base-Backbone interact. energy: 14.475
local terms energy: -9.848720
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -6.443
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: 5.106
tors. eta vs tors. theta energy: 16.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -385.072120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.072120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.072120 (E_RNA)
where:
Base-Base interactions energy: -259.303
where: short stacking energy: -103.849
Base-Backbone interact. energy: 0.684
local terms energy: -126.453259
where:
bonds (distance) C4'-P energy: -26.026
bonds (distance) P-C4' energy: -23.714
flat angles C4'-P-C4' energy: -25.178
flat angles P-C4'-P energy: -18.355
tors. eta vs tors. theta energy: -33.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 1.283333
Total energy: -240.761608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.761608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.761608 (E_RNA)
where:
Base-Base interactions energy: -154.742
where: short stacking energy: -65.723
Base-Backbone interact. energy: -1.127
local terms energy: -84.893052
where:
bonds (distance) C4'-P energy: -22.262
bonds (distance) P-C4' energy: -18.314
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -8.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 147
Temperature: 1.666667
Total energy: -84.785532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.785532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.785532 (E_RNA)
where:
Base-Base interactions energy: -38.262
where: short stacking energy: -18.522
Base-Backbone interact. energy: -0.528
local terms energy: -45.995716
where:
bonds (distance) C4'-P energy: -7.779
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -8.598
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: 4.366
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: 147
Temperature: 2.050000
Total energy: -56.058562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.058562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.058562 (E_RNA)
where:
Base-Base interactions energy: -19.757
where: short stacking energy: -15.193
Base-Backbone interact. energy: 0.641
local terms energy: -36.941831
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -23.602
flat angles C4'-P-C4' energy: -2.723
flat angles P-C4'-P energy: -3.917
tors. eta vs tors. theta energy: 3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 2.433333
Total energy: -49.281041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.281041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.281041 (E_RNA)
where:
Base-Base interactions energy: -16.944
where: short stacking energy: -15.480
Base-Backbone interact. energy: -0.219
local terms energy: -32.118134
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -9.460
flat angles P-C4'-P energy: -3.463
tors. eta vs tors. theta energy: 7.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 147
Temperature: 2.816667
Total energy: -27.027207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.027207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.027207 (E_RNA)
where:
Base-Base interactions energy: -4.906
where: short stacking energy: -3.892
Base-Backbone interact. energy: -0.864
local terms energy: -21.257568
where:
bonds (distance) C4'-P energy: -4.253
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: 18.731
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: 4
=====================================
Write number: 147
Temperature: 3.200000
Total energy: -25.590304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.590304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.590304 (E_RNA)
where:
Base-Base interactions energy: -1.882
where: short stacking energy: -0.747
Base-Backbone interact. energy: 2.416
local terms energy: -26.123906
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: 0.347
tors. eta vs tors. theta energy: 14.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 147
Temperature: 3.583333
Total energy: -25.943625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.943625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.943625 (E_RNA)
where:
Base-Base interactions energy: -6.573
where: short stacking energy: -6.099
Base-Backbone interact. energy: 3.078
local terms energy: -22.449159
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -2.748
flat angles P-C4'-P energy: -4.190
tors. eta vs tors. theta energy: 15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 147
Temperature: 3.966667
Total energy: -4.733763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.733763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.733763 (E_RNA)
where:
Base-Base interactions energy: -5.329
where: short stacking energy: -4.276
Base-Backbone interact. energy: -0.576
local terms energy: 1.171111
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: 1.521
flat angles P-C4'-P energy: 11.715
tors. eta vs tors. theta energy: 18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 147
Temperature: 4.350000
Total energy: -6.801879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.801879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.801879 (E_RNA)
where:
Base-Base interactions energy: -3.538
where: short stacking energy: -6.138
Base-Backbone interact. energy: -0.281
local terms energy: -2.983642
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -0.695
flat angles C4'-P-C4' energy: -3.806
flat angles P-C4'-P energy: 2.679
tors. eta vs tors. theta energy: 12.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -387.026519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.026519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.026519 (E_RNA)
where:
Base-Base interactions energy: -265.052
where: short stacking energy: -120.125
Base-Backbone interact. energy: -0.833
local terms energy: -121.142097
where:
bonds (distance) C4'-P energy: -25.701
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -24.219
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -33.138
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: 2
=====================================
Write number: 148
Temperature: 1.283333
Total energy: -255.569197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.569197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.569197 (E_RNA)
where:
Base-Base interactions energy: -169.785
where: short stacking energy: -73.866
Base-Backbone interact. energy: -0.924
local terms energy: -84.859950
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -21.931
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -12.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 148
Temperature: 1.666667
Total energy: -87.535925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.535925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.535925 (E_RNA)
where:
Base-Base interactions energy: -28.379
where: short stacking energy: -22.547
Base-Backbone interact. energy: 1.162
local terms energy: -60.319201
where:
bonds (distance) C4'-P energy: -25.983
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: 6.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 148
Temperature: 2.050000
Total energy: -65.016521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.016521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.016521 (E_RNA)
where:
Base-Base interactions energy: -27.737
where: short stacking energy: -22.457
Base-Backbone interact. energy: 2.794
local terms energy: -40.073818
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -3.296
tors. eta vs tors. theta energy: 3.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 148
Temperature: 2.433333
Total energy: -49.699553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.699553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.699553 (E_RNA)
where:
Base-Base interactions energy: -11.672
where: short stacking energy: -11.515
Base-Backbone interact. energy: 4.033
local terms energy: -42.060433
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -1.074
tors. eta vs tors. theta energy: 10.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 148
Temperature: 2.816667
Total energy: -37.267480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.267480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.267480 (E_RNA)
where:
Base-Base interactions energy: -13.488
where: short stacking energy: -13.706
Base-Backbone interact. energy: -0.036
local terms energy: -23.743507
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -7.485
flat angles P-C4'-P energy: -3.555
tors. eta vs tors. theta energy: 18.027
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: 10
=====================================
Write number: 148
Temperature: 3.200000
Total energy: -32.631134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.631134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.631134 (E_RNA)
where:
Base-Base interactions energy: -7.843
where: short stacking energy: -5.909
Base-Backbone interact. energy: 0.521
local terms energy: -25.309491
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -6.448
flat angles P-C4'-P energy: -3.249
tors. eta vs tors. theta energy: 18.383
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: 4
=====================================
Write number: 148
Temperature: 3.583333
Total energy: -10.105307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.105307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.105307 (E_RNA)
where:
Base-Base interactions energy: -6.242
where: short stacking energy: -5.386
Base-Backbone interact. energy: -0.491
local terms energy: -3.371589
where:
bonds (distance) C4'-P energy: -2.368
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -0.602
flat angles P-C4'-P energy: -4.123
tors. eta vs tors. theta energy: 16.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 148
Temperature: 3.966667
Total energy: -9.225683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.225683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.225683 (E_RNA)
where:
Base-Base interactions energy: -7.190
where: short stacking energy: -6.715
Base-Backbone interact. energy: 10.390
local terms energy: -12.425289
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -23.131
flat angles C4'-P-C4' energy: -8.361
flat angles P-C4'-P energy: 13.014
tors. eta vs tors. theta energy: 15.973
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: 8
=====================================
Write number: 148
Temperature: 4.350000
Total energy: 2.977762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 2.977762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 2.977762 (E_RNA)
where:
Base-Base interactions energy: -5.909
where: short stacking energy: -5.290
Base-Backbone interact. energy: -0.544
local terms energy: 9.431167
where:
bonds (distance) C4'-P energy: -8.722
bonds (distance) P-C4' energy: -5.407
flat angles C4'-P-C4' energy: 1.275
flat angles P-C4'-P energy: 5.868
tors. eta vs tors. theta energy: 16.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -377.785974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.785974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.785974 (E_RNA)
where:
Base-Base interactions energy: -254.973
where: short stacking energy: -105.185
Base-Backbone interact. energy: -0.258
local terms energy: -122.554801
where:
bonds (distance) C4'-P energy: -28.957
bonds (distance) P-C4' energy: -23.164
flat angles C4'-P-C4' energy: -28.068
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -29.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 149
Temperature: 1.283333
Total energy: -265.272843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.272843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.272843 (E_RNA)
where:
Base-Base interactions energy: -170.814
where: short stacking energy: -78.653
Base-Backbone interact. energy: -1.513
local terms energy: -92.945770
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -22.346
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 149
Temperature: 1.666667
Total energy: -94.125032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.125032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.125032 (E_RNA)
where:
Base-Base interactions energy: -37.840
where: short stacking energy: -32.265
Base-Backbone interact. energy: -0.449
local terms energy: -55.835657
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -23.013
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -1.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 2.050000
Total energy: -58.784826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.784826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.784826 (E_RNA)
where:
Base-Base interactions energy: -8.201
where: short stacking energy: -5.612
Base-Backbone interact. energy: -1.156
local terms energy: -49.427910
where:
bonds (distance) C4'-P energy: -24.293
bonds (distance) P-C4' energy: -18.475
flat angles C4'-P-C4' energy: -6.096
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: 9.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 149
Temperature: 2.433333
Total energy: -45.792561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.792561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.792561 (E_RNA)
where:
Base-Base interactions energy: -12.799
where: short stacking energy: -6.601
Base-Backbone interact. energy: 5.532
local terms energy: -38.526119
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -25.622
flat angles C4'-P-C4' energy: -6.952
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: 12.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 149
Temperature: 2.816667
Total energy: -35.968492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.968492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.968492 (E_RNA)
where:
Base-Base interactions energy: -4.461
where: short stacking energy: -3.661
Base-Backbone interact. energy: -0.642
local terms energy: -30.866020
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -4.881
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: 12.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 149
Temperature: 3.200000
Total energy: -32.778481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.778481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.778481 (E_RNA)
where:
Base-Base interactions energy: -14.796
where: short stacking energy: -14.714
Base-Backbone interact. energy: 1.168
local terms energy: -19.151435
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -4.905
flat angles P-C4'-P energy: -1.550
tors. eta vs tors. theta energy: 12.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 149
Temperature: 3.583333
Total energy: -17.719701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.719701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.719701 (E_RNA)
where:
Base-Base interactions energy: -13.916
where: short stacking energy: -0.572
Base-Backbone interact. energy: 4.289
local terms energy: -8.092022
where:
bonds (distance) C4'-P energy: -7.904
bonds (distance) P-C4' energy: -10.280
flat angles C4'-P-C4' energy: -0.218
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: 16.485
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: 4
=====================================
Write number: 149
Temperature: 3.966667
Total energy: -18.100507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.100507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.100507 (E_RNA)
where:
Base-Base interactions energy: -0.835
where: short stacking energy: 0.000
Base-Backbone interact. energy: 3.161
local terms energy: -20.426180
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -5.593
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: 18.874
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: 10, replica: 8
=====================================
Write number: 149
Temperature: 4.350000
Total energy: 4.851431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4.851431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 4.851431 (E_RNA)
where:
Base-Base interactions energy: -0.233
where: short stacking energy: 1.000
Base-Backbone interact. energy: 0.784
local terms energy: 4.300660
where:
bonds (distance) C4'-P energy: -1.978
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -0.627
flat angles P-C4'-P energy: 10.533
tors. eta vs tors. theta energy: 18.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -388.806532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.806532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.806532 (E_RNA)
where:
Base-Base interactions energy: -261.761
where: short stacking energy: -115.698
Base-Backbone interact. energy: -0.484
local terms energy: -126.561878
where:
bonds (distance) C4'-P energy: -27.518
bonds (distance) P-C4' energy: -28.358
flat angles C4'-P-C4' energy: -22.826
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -32.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 150
Temperature: 1.283333
Total energy: -233.423436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.423436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.423436 (E_RNA)
where:
Base-Base interactions energy: -142.168
where: short stacking energy: -65.219
Base-Backbone interact. energy: -0.673
local terms energy: -90.582374
where:
bonds (distance) C4'-P energy: -20.828
bonds (distance) P-C4' energy: -23.694
flat angles C4'-P-C4' energy: -21.838
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -17.288
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: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.666667
Total energy: -90.366317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.366317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.366317 (E_RNA)
where:
Base-Base interactions energy: -31.810
where: short stacking energy: -27.025
Base-Backbone interact. energy: -0.874
local terms energy: -57.682218
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: 4.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 150
Temperature: 2.050000
Total energy: -64.975484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.975484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.975484 (E_RNA)
where:
Base-Base interactions energy: -24.069
where: short stacking energy: -21.678
Base-Backbone interact. energy: 1.327
local terms energy: -42.233572
where:
bonds (distance) C4'-P energy: -23.103
bonds (distance) P-C4' energy: -9.667
flat angles C4'-P-C4' energy: -4.724
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: 5.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 150
Temperature: 2.433333
Total energy: -44.213472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.213472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.213472 (E_RNA)
where:
Base-Base interactions energy: -14.863
where: short stacking energy: -11.490
Base-Backbone interact. energy: 2.794
local terms energy: -32.144263
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -8.405
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: 16.097
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: 6, replica: 10
=====================================
Write number: 150
Temperature: 2.816667
Total energy: -32.804406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.804406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.804406 (E_RNA)
where:
Base-Base interactions energy: -12.920
where: short stacking energy: -12.920
Base-Backbone interact. energy: 0.639
local terms energy: -20.523061
where:
bonds (distance) C4'-P energy: -22.190
bonds (distance) P-C4' energy: -10.129
flat angles C4'-P-C4' energy: -2.386
flat angles P-C4'-P energy: -0.101
tors. eta vs tors. theta energy: 14.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 150
Temperature: 3.200000
Total energy: -25.099896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.099896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.099896 (E_RNA)
where:
Base-Base interactions energy: -1.973
where: short stacking energy: -0.905
Base-Backbone interact. energy: 2.746
local terms energy: -25.873340
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -1.662
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: 17.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 150
Temperature: 3.583333
Total energy: -17.773279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.773279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.773279 (E_RNA)
where:
Base-Base interactions energy: -3.568
where: short stacking energy: -3.179
Base-Backbone interact. energy: -1.741
local terms energy: -12.464026
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -1.166
flat angles P-C4'-P energy: 5.132
tors. eta vs tors. theta energy: 12.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 150
Temperature: 3.966667
Total energy: -14.173657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.173657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.173657 (E_RNA)
where:
Base-Base interactions energy: -7.238
where: short stacking energy: -2.964
Base-Backbone interact. energy: 0.965
local terms energy: -7.900671
where:
bonds (distance) C4'-P energy: -1.997
bonds (distance) P-C4' energy: -7.084
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -1.079
tors. eta vs tors. theta energy: 14.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 150
Temperature: 4.350000
Total energy: -5.282816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.282816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.282816 (E_RNA)
where:
Base-Base interactions energy: -4.620
where: short stacking energy: -2.689
Base-Backbone interact. energy: -0.700
local terms energy: 0.037140
where:
bonds (distance) C4'-P energy: -9.720
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -0.442
flat angles P-C4'-P energy: 6.016
tors. eta vs tors. theta energy: 18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -384.098248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.098248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.098248 (E_RNA)
where:
Base-Base interactions energy: -260.766
where: short stacking energy: -113.034
Base-Backbone interact. energy: 0.365
local terms energy: -123.697959
where:
bonds (distance) C4'-P energy: -24.583
bonds (distance) P-C4' energy: -27.608
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -17.245
tors. eta vs tors. theta energy: -30.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 151
Temperature: 1.283333
Total energy: -187.692242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.692242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.692242 (E_RNA)
where:
Base-Base interactions energy: -99.236
where: short stacking energy: -50.722
Base-Backbone interact. energy: 0.362
local terms energy: -88.818601
where:
bonds (distance) C4'-P energy: -18.461
bonds (distance) P-C4' energy: -22.277
flat angles C4'-P-C4' energy: -24.491
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -10.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 151
Temperature: 1.666667
Total energy: -89.543518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.543518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.543518 (E_RNA)
where:
Base-Base interactions energy: -28.031
where: short stacking energy: -27.690
Base-Backbone interact. energy: -0.137
local terms energy: -61.375728
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -22.861
flat angles C4'-P-C4' energy: -4.962
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: 1.842
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: 5
=====================================
Write number: 151
Temperature: 2.050000
Total energy: -61.780570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.780570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.780570 (E_RNA)
where:
Base-Base interactions energy: -23.695
where: short stacking energy: -19.895
Base-Backbone interact. energy: 1.937
local terms energy: -40.022758
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: 8.349
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: 9
=====================================
Write number: 151
Temperature: 2.433333
Total energy: -40.543403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.543403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.543403 (E_RNA)
where:
Base-Base interactions energy: -9.477
where: short stacking energy: -7.782
Base-Backbone interact. energy: 0.544
local terms energy: -31.609879
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: 1.974
tors. eta vs tors. theta energy: 18.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 151
Temperature: 2.816667
Total energy: -31.136688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.136688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.136688 (E_RNA)
where:
Base-Base interactions energy: -19.453
where: short stacking energy: -9.750
Base-Backbone interact. energy: 0.006
local terms energy: -11.690021
where:
bonds (distance) C4'-P energy: -5.935
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -2.315
flat angles P-C4'-P energy: 2.744
tors. eta vs tors. theta energy: 5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 151
Temperature: 3.200000
Total energy: -22.274475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.274475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.274475 (E_RNA)
where:
Base-Base interactions energy: -4.627
where: short stacking energy: -4.627
Base-Backbone interact. energy: 0.792
local terms energy: -18.439756
where:
bonds (distance) C4'-P energy: -8.354
bonds (distance) P-C4' energy: -23.647
flat angles C4'-P-C4' energy: -5.665
flat angles P-C4'-P energy: 8.269
tors. eta vs tors. theta energy: 10.957
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: 4
=====================================
Write number: 151
Temperature: 3.583333
Total energy: -20.829981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.829981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.829981 (E_RNA)
where:
Base-Base interactions energy: -9.477
where: short stacking energy: -1.711
Base-Backbone interact. energy: -0.571
local terms energy: -10.781819
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -9.362
flat angles C4'-P-C4' energy: -3.859
flat angles P-C4'-P energy: 0.941
tors. eta vs tors. theta energy: 14.609
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: 7
=====================================
Write number: 151
Temperature: 3.966667
Total energy: -9.831405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.831405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.831405 (E_RNA)
where:
Base-Base interactions energy: -2.556
where: short stacking energy: -0.997
Base-Backbone interact. energy: -0.466
local terms energy: -6.809110
where:
bonds (distance) C4'-P energy: -10.582
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: 0.242
flat angles P-C4'-P energy: 4.884
tors. eta vs tors. theta energy: 12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 151
Temperature: 4.350000
Total energy: -9.351529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.351529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.351529 (E_RNA)
where:
Base-Base interactions energy: -0.906
where: short stacking energy: -1.006
Base-Backbone interact. energy: 5.343
local terms energy: -13.788649
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -5.884
flat angles P-C4'-P energy: 6.594
tors. eta vs tors. theta energy: 15.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -387.116870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.116870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.116870 (E_RNA)
where:
Base-Base interactions energy: -257.087
where: short stacking energy: -108.760
Base-Backbone interact. energy: -1.348
local terms energy: -128.682138
where:
bonds (distance) C4'-P energy: -25.966
bonds (distance) P-C4' energy: -25.072
flat angles C4'-P-C4' energy: -28.678
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -33.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 152
Temperature: 1.283333
Total energy: -198.462535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.462535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.462535 (E_RNA)
where:
Base-Base interactions energy: -116.622
where: short stacking energy: -66.545
Base-Backbone interact. energy: -0.329
local terms energy: -81.511049
where:
bonds (distance) C4'-P energy: -26.375
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 152
Temperature: 1.666667
Total energy: -100.365796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.365796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.365796 (E_RNA)
where:
Base-Base interactions energy: -44.682
where: short stacking energy: -39.703
Base-Backbone interact. energy: 0.046
local terms energy: -55.729849
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: -2.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 2.050000
Total energy: -59.499369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.499369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.499369 (E_RNA)
where:
Base-Base interactions energy: -20.830
where: short stacking energy: -20.317
Base-Backbone interact. energy: 1.989
local terms energy: -40.659055
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -18.718
flat angles C4'-P-C4' energy: -0.821
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: 5.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 152
Temperature: 2.433333
Total energy: -56.351580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.351580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.351580 (E_RNA)
where:
Base-Base interactions energy: -8.045
where: short stacking energy: -3.750
Base-Backbone interact. energy: -0.181
local terms energy: -48.125250
where:
bonds (distance) C4'-P energy: -5.439
bonds (distance) P-C4' energy: -21.659
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -4.678
tors. eta vs tors. theta energy: 0.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 152
Temperature: 2.816667
Total energy: -35.283291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.283291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.283291 (E_RNA)
where:
Base-Base interactions energy: -3.467
where: short stacking energy: -0.156
Base-Backbone interact. energy: 6.458
local terms energy: -38.273326
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -7.205
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: 16.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 152
Temperature: 3.200000
Total energy: -30.632749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.632749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.632749 (E_RNA)
where:
Base-Base interactions energy: -7.731
where: short stacking energy: -6.715
Base-Backbone interact. energy: 1.770
local terms energy: -24.671937
where:
bonds (distance) C4'-P energy: -5.451
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -6.534
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: 10.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 152
Temperature: 3.583333
Total energy: -24.664436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.664436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.664436 (E_RNA)
where:
Base-Base interactions energy: -9.858
where: short stacking energy: -9.383
Base-Backbone interact. energy: -0.654
local terms energy: -14.151938
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -5.981
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: 5.899
tors. eta vs tors. theta energy: 10.660
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: 8
=====================================
Write number: 152
Temperature: 3.966667
Total energy: -14.951747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.951747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.951747 (E_RNA)
where:
Base-Base interactions energy: -0.269
where: short stacking energy: -0.476
Base-Backbone interact. energy: -0.708
local terms energy: -13.974334
where:
bonds (distance) C4'-P energy: -7.188
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -8.091
flat angles P-C4'-P energy: -2.282
tors. eta vs tors. theta energy: 16.001
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: 10, replica: 7
=====================================
Write number: 152
Temperature: 4.350000
Total energy: -3.521131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.521131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.521131 (E_RNA)
where:
Base-Base interactions energy: 5.337
where: short stacking energy: -1.372
Base-Backbone interact. energy: -1.439
local terms energy: -7.419722
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -7.162
flat angles C4'-P-C4' energy: -0.865
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: 19.709
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: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -387.179561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.179561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.179561 (E_RNA)
where:
Base-Base interactions energy: -258.326
where: short stacking energy: -124.881
Base-Backbone interact. energy: -0.897
local terms energy: -127.956410
where:
bonds (distance) C4'-P energy: -24.529
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -30.397
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -35.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 153
Temperature: 1.283333
Total energy: -189.116701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.116701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.116701 (E_RNA)
where:
Base-Base interactions energy: -111.021
where: short stacking energy: -50.192
Base-Backbone interact. energy: -0.261
local terms energy: -77.833984
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -21.728
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -2.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 153
Temperature: 1.666667
Total energy: -94.104317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.104317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.104317 (E_RNA)
where:
Base-Base interactions energy: -35.829
where: short stacking energy: -32.705
Base-Backbone interact. energy: -0.274
local terms energy: -58.000498
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -10.151
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 153
Temperature: 2.050000
Total energy: -57.610863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.610863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.610863 (E_RNA)
where:
Base-Base interactions energy: -8.688
where: short stacking energy: -7.248
Base-Backbone interact. energy: -0.481
local terms energy: -48.442604
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -1.009
tors. eta vs tors. theta energy: 6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 153
Temperature: 2.433333
Total energy: -47.418484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.418484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.418484 (E_RNA)
where:
Base-Base interactions energy: -16.254
where: short stacking energy: -16.220
Base-Backbone interact. energy: -0.718
local terms energy: -30.445969
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -10.730
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: 12.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 153
Temperature: 2.816667
Total energy: -31.412254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.412254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.412254 (E_RNA)
where:
Base-Base interactions energy: -4.410
where: short stacking energy: -3.429
Base-Backbone interact. energy: 1.222
local terms energy: -28.223785
where:
bonds (distance) C4'-P energy: -21.520
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -1.195
flat angles P-C4'-P energy: -1.677
tors. eta vs tors. theta energy: 12.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 153
Temperature: 3.200000
Total energy: -19.532548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.532548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.532548 (E_RNA)
where:
Base-Base interactions energy: -8.811
where: short stacking energy: -8.633
Base-Backbone interact. energy: 2.537
local terms energy: -13.258452
where:
bonds (distance) C4'-P energy: 0.137
bonds (distance) P-C4' energy: -4.165
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: 13.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 153
Temperature: 3.583333
Total energy: -10.608427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.608427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.608427 (E_RNA)
where:
Base-Base interactions energy: -1.489
where: short stacking energy: -1.656
Base-Backbone interact. energy: 0.011
local terms energy: -9.130948
where:
bonds (distance) C4'-P energy: -7.142
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -3.797
flat angles P-C4'-P energy: -3.068
tors. eta vs tors. theta energy: 22.604
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: 6
=====================================
Write number: 153
Temperature: 3.966667
Total energy: -3.651970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.651970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.651970 (E_RNA)
where:
Base-Base interactions energy: -3.381
where: short stacking energy: -2.805
Base-Backbone interact. energy: 7.111
local terms energy: -7.381492
where:
bonds (distance) C4'-P energy: -5.949
bonds (distance) P-C4' energy: -6.980
flat angles C4'-P-C4' energy: -3.958
flat angles P-C4'-P energy: -5.445
tors. eta vs tors. theta energy: 14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 153
Temperature: 4.350000
Total energy: -2.374120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.374120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.374120 (E_RNA)
where:
Base-Base interactions energy: -7.801
where: short stacking energy: -9.301
Base-Backbone interact. energy: 6.818
local terms energy: -1.391136
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -9.206
flat angles C4'-P-C4' energy: 2.976
flat angles P-C4'-P energy: -1.022
tors. eta vs tors. theta energy: 16.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -388.723152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.723152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.723152 (E_RNA)
where:
Base-Base interactions energy: -264.238
where: short stacking energy: -124.128
Base-Backbone interact. energy: -0.957
local terms energy: -123.528306
where:
bonds (distance) C4'-P energy: -26.155
bonds (distance) P-C4' energy: -23.446
flat angles C4'-P-C4' energy: -24.228
flat angles P-C4'-P energy: -15.845
tors. eta vs tors. theta energy: -33.854
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: 2
=====================================
Write number: 154
Temperature: 1.283333
Total energy: -200.650366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.650366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.650366 (E_RNA)
where:
Base-Base interactions energy: -110.835
where: short stacking energy: -61.008
Base-Backbone interact. energy: -0.164
local terms energy: -89.651369
where:
bonds (distance) C4'-P energy: -21.975
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -24.134
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -8.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.666667
Total energy: -88.932259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.932259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.932259 (E_RNA)
where:
Base-Base interactions energy: -32.868
where: short stacking energy: -21.925
Base-Backbone interact. energy: 0.781
local terms energy: -56.845102
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -24.598
flat angles C4'-P-C4' energy: -19.698
flat angles P-C4'-P energy: -2.591
tors. eta vs tors. theta energy: 7.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 154
Temperature: 2.050000
Total energy: -62.342101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.342101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.342101 (E_RNA)
where:
Base-Base interactions energy: -13.124
where: short stacking energy: -8.442
Base-Backbone interact. energy: -0.137
local terms energy: -49.080843
where:
bonds (distance) C4'-P energy: -22.625
bonds (distance) P-C4' energy: -21.318
flat angles C4'-P-C4' energy: -10.021
flat angles P-C4'-P energy: -0.738
tors. eta vs tors. theta energy: 5.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 154
Temperature: 2.433333
Total energy: -47.023925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.023925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.023925 (E_RNA)
where:
Base-Base interactions energy: -18.250
where: short stacking energy: -17.203
Base-Backbone interact. energy: -0.216
local terms energy: -28.558613
where:
bonds (distance) C4'-P energy: -8.622
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -8.530
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: 9.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 154
Temperature: 2.816667
Total energy: -45.286275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.286275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.286275 (E_RNA)
where:
Base-Base interactions energy: -4.847
where: short stacking energy: -5.047
Base-Backbone interact. energy: 3.937
local terms energy: -44.376439
where:
bonds (distance) C4'-P energy: -19.159
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -2.177
tors. eta vs tors. theta energy: 3.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 154
Temperature: 3.200000
Total energy: -22.722731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.722731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.722731 (E_RNA)
where:
Base-Base interactions energy: -3.230
where: short stacking energy: -5.230
Base-Backbone interact. energy: -0.460
local terms energy: -19.032030
where:
bonds (distance) C4'-P energy: -5.711
bonds (distance) P-C4' energy: -9.748
flat angles C4'-P-C4' energy: -2.873
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: 12.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 154
Temperature: 3.583333
Total energy: -14.698521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.698521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.698521 (E_RNA)
where:
Base-Base interactions energy: -2.574
where: short stacking energy: -0.631
Base-Backbone interact. energy: 0.809
local terms energy: -12.934044
where:
bonds (distance) C4'-P energy: -8.452
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -6.557
flat angles P-C4'-P energy: 1.308
tors. eta vs tors. theta energy: 18.321
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: 7
=====================================
Write number: 154
Temperature: 3.966667
Total energy: -5.780697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.780697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.780697 (E_RNA)
where:
Base-Base interactions energy: 0.880
where: short stacking energy: 0.616
Base-Backbone interact. energy: -1.289
local terms energy: -5.372099
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -5.523
flat angles C4'-P-C4' energy: -1.368
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: 15.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 4.350000
Total energy: -2.626866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.626866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.626866 (E_RNA)
where:
Base-Base interactions energy: -9.894
where: short stacking energy: -4.425
Base-Backbone interact. energy: 0.885
local terms energy: 6.381464
where:
bonds (distance) C4'-P energy: 0.287
bonds (distance) P-C4' energy: -7.715
flat angles C4'-P-C4' energy: -2.111
flat angles P-C4'-P energy: -0.428
tors. eta vs tors. theta energy: 16.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -374.468353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.468353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.468353 (E_RNA)
where:
Base-Base interactions energy: -251.645
where: short stacking energy: -116.107
Base-Backbone interact. energy: -0.365
local terms energy: -122.458241
where:
bonds (distance) C4'-P energy: -20.577
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -26.342
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: -36.251
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: 2
=====================================
Write number: 155
Temperature: 1.283333
Total energy: -202.151431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.151431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.151431 (E_RNA)
where:
Base-Base interactions energy: -104.696
where: short stacking energy: -68.683
Base-Backbone interact. energy: -0.010
local terms energy: -97.445992
where:
bonds (distance) C4'-P energy: -22.368
bonds (distance) P-C4' energy: -21.137
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -14.256
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: 3
=====================================
Write number: 155
Temperature: 1.666667
Total energy: -93.852774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.852774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.852774 (E_RNA)
where:
Base-Base interactions energy: -22.409
where: short stacking energy: -21.959
Base-Backbone interact. energy: 0.023
local terms energy: -71.467327
where:
bonds (distance) C4'-P energy: -24.011
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: 2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 155
Temperature: 2.050000
Total energy: -59.598480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.598480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.598480 (E_RNA)
where:
Base-Base interactions energy: -18.620
where: short stacking energy: -18.504
Base-Backbone interact. energy: -0.431
local terms energy: -40.547847
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -9.177
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: 8.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 155
Temperature: 2.433333
Total energy: -47.734956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.734956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.734956 (E_RNA)
where:
Base-Base interactions energy: -14.217
where: short stacking energy: -14.639
Base-Backbone interact. energy: -0.606
local terms energy: -32.911864
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -6.794
flat angles P-C4'-P energy: 1.687
tors. eta vs tors. theta energy: 11.623
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: 8
=====================================
Write number: 155
Temperature: 2.816667
Total energy: -29.457496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.457496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.457496 (E_RNA)
where:
Base-Base interactions energy: -4.299
where: short stacking energy: -4.299
Base-Backbone interact. energy: -0.780
local terms energy: -24.378544
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -9.190
flat angles P-C4'-P energy: -1.977
tors. eta vs tors. theta energy: 16.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 155
Temperature: 3.200000
Total energy: -24.664744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.664744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.664744 (E_RNA)
where:
Base-Base interactions energy: -11.018
where: short stacking energy: -1.859
Base-Backbone interact. energy: -0.627
local terms energy: -13.020359
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -0.544
flat angles P-C4'-P energy: -2.830
tors. eta vs tors. theta energy: 17.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 155
Temperature: 3.583333
Total energy: -17.037309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.037309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.037309 (E_RNA)
where:
Base-Base interactions energy: -4.035
where: short stacking energy: 1.800
Base-Backbone interact. energy: 0.811
local terms energy: -13.813457
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -8.434
flat angles C4'-P-C4' energy: -5.157
flat angles P-C4'-P energy: 1.908
tors. eta vs tors. theta energy: 15.799
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: 155
Temperature: 3.966667
Total energy: -16.399805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.399805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.399805 (E_RNA)
where:
Base-Base interactions energy: -11.511
where: short stacking energy: -6.080
Base-Backbone interact. energy: 3.058
local terms energy: -7.946890
where:
bonds (distance) C4'-P energy: -1.985
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -8.989
flat angles P-C4'-P energy: 4.759
tors. eta vs tors. theta energy: 12.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 4.350000
Total energy: 4.904334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4.904334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 4.904334 (E_RNA)
where:
Base-Base interactions energy: 1.572
where: short stacking energy: 0.900
Base-Backbone interact. energy: 0.515
local terms energy: 2.817266
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -3.958
flat angles C4'-P-C4' energy: 1.658
flat angles P-C4'-P energy: 1.197
tors. eta vs tors. theta energy: 15.555
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: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -368.959282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.959282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.959282 (E_RNA)
where:
Base-Base interactions energy: -246.911
where: short stacking energy: -119.430
Base-Backbone interact. energy: -0.008
local terms energy: -122.040688
where:
bonds (distance) C4'-P energy: -24.520
bonds (distance) P-C4' energy: -26.462
flat angles C4'-P-C4' energy: -25.263
flat angles P-C4'-P energy: -18.219
tors. eta vs tors. theta energy: -27.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 156
Temperature: 1.283333
Total energy: -199.372283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.372283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.372283 (E_RNA)
where:
Base-Base interactions energy: -119.434
where: short stacking energy: -52.930
Base-Backbone interact. energy: 0.629
local terms energy: -80.567250
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -28.287
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 156
Temperature: 1.666667
Total energy: -95.411456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.411456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.411456 (E_RNA)
where:
Base-Base interactions energy: -33.470
where: short stacking energy: -33.470
Base-Backbone interact. energy: 0.694
local terms energy: -62.636065
where:
bonds (distance) C4'-P energy: -21.692
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: 0.958
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: 9
=====================================
Write number: 156
Temperature: 2.050000
Total energy: -69.821054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.821054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.821054 (E_RNA)
where:
Base-Base interactions energy: -18.576
where: short stacking energy: -17.718
Base-Backbone interact. energy: 2.040
local terms energy: -53.285613
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -21.348
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: 11.148
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: 8
=====================================
Write number: 156
Temperature: 2.433333
Total energy: -42.890270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.890270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.890270 (E_RNA)
where:
Base-Base interactions energy: -7.448
where: short stacking energy: -7.254
Base-Backbone interact. energy: -0.602
local terms energy: -34.840091
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -8.342
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: 11.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 2.816667
Total energy: -32.860898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.860898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.860898 (E_RNA)
where:
Base-Base interactions energy: -4.686
where: short stacking energy: -3.459
Base-Backbone interact. energy: 0.124
local terms energy: -28.298120
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -23.063
flat angles C4'-P-C4' energy: -0.813
flat angles P-C4'-P energy: -3.724
tors. eta vs tors. theta energy: 14.347
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: 7, replica: 7
=====================================
Write number: 156
Temperature: 3.200000
Total energy: -28.545036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.545036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.545036 (E_RNA)
where:
Base-Base interactions energy: 4.634
where: short stacking energy: 6.589
Base-Backbone interact. energy: 2.068
local terms energy: -35.246994
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: 15.141
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: 10
=====================================
Write number: 156
Temperature: 3.583333
Total energy: -15.982646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.982646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.982646 (E_RNA)
where:
Base-Base interactions energy: 0.502
where: short stacking energy: 2.527
Base-Backbone interact. energy: -0.059
local terms energy: -16.425746
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -3.841
flat angles P-C4'-P energy: 6.619
tors. eta vs tors. theta energy: 13.729
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: 4
=====================================
Write number: 156
Temperature: 3.966667
Total energy: -7.582458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.582458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.582458 (E_RNA)
where:
Base-Base interactions energy: -9.919
where: short stacking energy: -8.046
Base-Backbone interact. energy: -1.080
local terms energy: 3.416662
where:
bonds (distance) C4'-P energy: -6.877
bonds (distance) P-C4' energy: -6.969
flat angles C4'-P-C4' energy: -2.714
flat angles P-C4'-P energy: 1.984
tors. eta vs tors. theta energy: 17.993
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: 10, replica: 6
=====================================
Write number: 156
Temperature: 4.350000
Total energy: -7.603873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.603873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.603873 (E_RNA)
where:
Base-Base interactions energy: -3.964
where: short stacking energy: -3.240
Base-Backbone interact. energy: 1.315
local terms energy: -4.955133
where:
bonds (distance) C4'-P energy: -9.881
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: 1.512
flat angles P-C4'-P energy: -1.365
tors. eta vs tors. theta energy: 20.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -379.516026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.516026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.516026 (E_RNA)
where:
Base-Base interactions energy: -252.883
where: short stacking energy: -116.583
Base-Backbone interact. energy: -1.472
local terms energy: -125.160497
where:
bonds (distance) C4'-P energy: -24.799
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -24.837
flat angles P-C4'-P energy: -20.312
tors. eta vs tors. theta energy: -33.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 157
Temperature: 1.283333
Total energy: -196.916355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.916355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.916355 (E_RNA)
where:
Base-Base interactions energy: -116.376
where: short stacking energy: -61.582
Base-Backbone interact. energy: -1.842
local terms energy: -78.697671
where:
bonds (distance) C4'-P energy: -20.933
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -21.514
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -3.401
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: 3, replica: 3
=====================================
Write number: 157
Temperature: 1.666667
Total energy: -87.179625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.179625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.179625 (E_RNA)
where:
Base-Base interactions energy: -31.347
where: short stacking energy: -22.338
Base-Backbone interact. energy: -0.239
local terms energy: -55.593449
where:
bonds (distance) C4'-P energy: -24.064
bonds (distance) P-C4' energy: -9.808
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: 7.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 157
Temperature: 2.050000
Total energy: -61.163616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.163616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.163616 (E_RNA)
where:
Base-Base interactions energy: -14.618
where: short stacking energy: -13.781
Base-Backbone interact. energy: -0.451
local terms energy: -46.093738
where:
bonds (distance) C4'-P energy: -9.463
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: 6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 157
Temperature: 2.433333
Total energy: -42.687913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.687913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.687913 (E_RNA)
where:
Base-Base interactions energy: -13.149
where: short stacking energy: -9.687
Base-Backbone interact. energy: 1.236
local terms energy: -30.775434
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -6.075
flat angles P-C4'-P energy: 3.406
tors. eta vs tors. theta energy: 11.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 157
Temperature: 2.816667
Total energy: -33.641180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.641180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.641180 (E_RNA)
where:
Base-Base interactions energy: -8.225
where: short stacking energy: -4.384
Base-Backbone interact. energy: 4.548
local terms energy: -29.964149
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: 18.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 157
Temperature: 3.200000
Total energy: -26.766572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.766572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.766572 (E_RNA)
where:
Base-Base interactions energy: -2.679
where: short stacking energy: -1.837
Base-Backbone interact. energy: 0.086
local terms energy: -24.173714
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -4.705
flat angles P-C4'-P energy: 1.071
tors. eta vs tors. theta energy: 14.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 157
Temperature: 3.583333
Total energy: -18.664690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.664690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.664690 (E_RNA)
where:
Base-Base interactions energy: -7.750
where: short stacking energy: -6.721
Base-Backbone interact. energy: -0.215
local terms energy: -10.700116
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -10.226
flat angles C4'-P-C4' energy: -0.629
flat angles P-C4'-P energy: 0.186
tors. eta vs tors. theta energy: 14.199
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: 9, replica: 10
=====================================
Write number: 157
Temperature: 3.966667
Total energy: -3.694623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.694623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.694623 (E_RNA)
where:
Base-Base interactions energy: -6.853
where: short stacking energy: -5.153
Base-Backbone interact. energy: 2.071
local terms energy: 1.087188
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: 12.734
flat angles P-C4'-P energy: 4.580
tors. eta vs tors. theta energy: 8.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 4.350000
Total energy: -5.702962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.702962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.702962 (E_RNA)
where:
Base-Base interactions energy: -4.120
where: short stacking energy: -3.662
Base-Backbone interact. energy: 1.405
local terms energy: -2.988328
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: 4.529
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: 21.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -391.489962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.489962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.489962 (E_RNA)
where:
Base-Base interactions energy: -266.961
where: short stacking energy: -108.346
Base-Backbone interact. energy: -1.385
local terms energy: -123.143922
where:
bonds (distance) C4'-P energy: -18.105
bonds (distance) P-C4' energy: -29.412
flat angles C4'-P-C4' energy: -24.831
flat angles P-C4'-P energy: -15.889
tors. eta vs tors. theta energy: -34.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 158
Temperature: 1.283333
Total energy: -197.721255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.721255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.721255 (E_RNA)
where:
Base-Base interactions energy: -110.034
where: short stacking energy: -61.222
Base-Backbone interact. energy: -0.226
local terms energy: -87.461346
where:
bonds (distance) C4'-P energy: -25.580
bonds (distance) P-C4' energy: -26.945
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.666667
Total energy: -89.343778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.343778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.343778 (E_RNA)
where:
Base-Base interactions energy: -35.110
where: short stacking energy: -26.682
Base-Backbone interact. energy: 1.155
local terms energy: -55.388730
where:
bonds (distance) C4'-P energy: -20.381
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: 2.837
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: 4, replica: 8
=====================================
Write number: 158
Temperature: 2.050000
Total energy: -75.496412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.496412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.496412 (E_RNA)
where:
Base-Base interactions energy: -31.028
where: short stacking energy: -27.398
Base-Backbone interact. energy: 0.361
local terms energy: -44.829393
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -18.272
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: 4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 158
Temperature: 2.433333
Total energy: -49.821379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.821379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.821379 (E_RNA)
where:
Base-Base interactions energy: -2.889
where: short stacking energy: -2.596
Base-Backbone interact. energy: -0.328
local terms energy: -46.604616
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -22.191
flat angles C4'-P-C4' energy: -4.143
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: 11.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 158
Temperature: 2.816667
Total energy: -37.259506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.259506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.259506 (E_RNA)
where:
Base-Base interactions energy: -4.006
where: short stacking energy: -2.744
Base-Backbone interact. energy: -0.421
local terms energy: -32.832503
where:
bonds (distance) C4'-P energy: -22.527
bonds (distance) P-C4' energy: -6.566
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -2.519
tors. eta vs tors. theta energy: 16.313
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: 7, replica: 4
=====================================
Write number: 158
Temperature: 3.200000
Total energy: -24.956188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.956188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.956188 (E_RNA)
where:
Base-Base interactions energy: -6.501
where: short stacking energy: -6.501
Base-Backbone interact. energy: -0.714
local terms energy: -17.741223
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: 4.681
flat angles P-C4'-P energy: -0.267
tors. eta vs tors. theta energy: 9.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 158
Temperature: 3.583333
Total energy: -16.733887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.733887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.733887 (E_RNA)
where:
Base-Base interactions energy: -1.468
where: short stacking energy: -0.288
Base-Backbone interact. energy: -0.236
local terms energy: -15.029588
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -25.481
flat angles C4'-P-C4' energy: 5.828
flat angles P-C4'-P energy: 1.712
tors. eta vs tors. theta energy: 18.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 158
Temperature: 3.966667
Total energy: -3.205355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.205355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.205355 (E_RNA)
where:
Base-Base interactions energy: 4.980
where: short stacking energy: -0.533
Base-Backbone interact. energy: 0.008
local terms energy: -8.192633
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: 11.381
flat angles P-C4'-P energy: -0.513
tors. eta vs tors. theta energy: 16.682
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: 10
=====================================
Write number: 158
Temperature: 4.350000
Total energy: -2.038841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.038841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.038841 (E_RNA)
where:
Base-Base interactions energy: -13.606
where: short stacking energy: -7.070
Base-Backbone interact. energy: -0.376
local terms energy: 11.943023
where:
bonds (distance) C4'-P energy: -4.112
bonds (distance) P-C4' energy: -4.727
flat angles C4'-P-C4' energy: 0.474
flat angles P-C4'-P energy: 6.446
tors. eta vs tors. theta energy: 13.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -381.978732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.978732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.978732 (E_RNA)
where:
Base-Base interactions energy: -255.506
where: short stacking energy: -118.752
Base-Backbone interact. energy: -0.157
local terms energy: -126.315750
where:
bonds (distance) C4'-P energy: -25.208
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -26.576
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -35.886
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: 2
=====================================
Write number: 159
Temperature: 1.283333
Total energy: -198.097035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.097035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.097035 (E_RNA)
where:
Base-Base interactions energy: -109.561
where: short stacking energy: -58.254
Base-Backbone interact. energy: -0.206
local terms energy: -88.329922
where:
bonds (distance) C4'-P energy: -25.394
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -14.225
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.666667
Total energy: -99.726576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.726576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.726576 (E_RNA)
where:
Base-Base interactions energy: -27.679
where: short stacking energy: -27.899
Base-Backbone interact. energy: -0.421
local terms energy: -71.627039
where:
bonds (distance) C4'-P energy: -24.622
bonds (distance) P-C4' energy: -25.678
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: 4.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 159
Temperature: 2.050000
Total energy: -70.692579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.692579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.692579 (E_RNA)
where:
Base-Base interactions energy: -18.433
where: short stacking energy: -18.433
Base-Backbone interact. energy: -1.021
local terms energy: -51.238414
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -1.609
tors. eta vs tors. theta energy: 7.014
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: 8
=====================================
Write number: 159
Temperature: 2.433333
Total energy: -51.820903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.820903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.820903 (E_RNA)
where:
Base-Base interactions energy: -10.762
where: short stacking energy: -7.965
Base-Backbone interact. energy: -0.159
local terms energy: -40.900367
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -24.410
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: 15.754
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: 4
=====================================
Write number: 159
Temperature: 2.816667
Total energy: -32.512063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.512063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.512063 (E_RNA)
where:
Base-Base interactions energy: -5.746
where: short stacking energy: -1.354
Base-Backbone interact. energy: -0.173
local terms energy: -26.593116
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -7.856
flat angles P-C4'-P energy: -1.997
tors. eta vs tors. theta energy: 12.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 159
Temperature: 3.200000
Total energy: -20.131373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.131373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.131373 (E_RNA)
where:
Base-Base interactions energy: -11.596
where: short stacking energy: -10.283
Base-Backbone interact. energy: -0.297
local terms energy: -8.238719
where:
bonds (distance) C4'-P energy: -8.900
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: 7.830
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: 15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 159
Temperature: 3.583333
Total energy: -20.649636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.649636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.649636 (E_RNA)
where:
Base-Base interactions energy: -6.505
where: short stacking energy: 0.000
Base-Backbone interact. energy: 0.583
local terms energy: -14.727931
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -8.092
flat angles C4'-P-C4' energy: -5.500
flat angles P-C4'-P energy: -0.210
tors. eta vs tors. theta energy: 18.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 159
Temperature: 3.966667
Total energy: -9.607123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.607123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.607123 (E_RNA)
where:
Base-Base interactions energy: -1.217
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.317
local terms energy: -8.072873
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -3.470
flat angles C4'-P-C4' energy: -3.526
flat angles P-C4'-P energy: -1.932
tors. eta vs tors. theta energy: 13.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 159
Temperature: 4.350000
Total energy: -2.095769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.095769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.095769 (E_RNA)
where:
Base-Base interactions energy: -1.187
where: short stacking energy: 0.000
Base-Backbone interact. energy: 5.369
local terms energy: -6.277708
where:
bonds (distance) C4'-P energy: -0.127
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -8.120
flat angles P-C4'-P energy: 0.320
tors. eta vs tors. theta energy: 17.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -371.975248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.975248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.975248 (E_RNA)
where:
Base-Base interactions energy: -245.829
where: short stacking energy: -115.259
Base-Backbone interact. energy: 0.495
local terms energy: -126.642037
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -27.456
flat angles C4'-P-C4' energy: -29.359
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -32.300
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: 2
=====================================
Write number: 160
Temperature: 1.283333
Total energy: -196.275881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.275881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.275881 (E_RNA)
where:
Base-Base interactions energy: -120.143
where: short stacking energy: -69.802
Base-Backbone interact. energy: -0.027
local terms energy: -76.105264
where:
bonds (distance) C4'-P energy: -10.404
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -19.769
tors. eta vs tors. theta energy: -7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.666667
Total energy: -88.121334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.121334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.121334 (E_RNA)
where:
Base-Base interactions energy: -24.663
where: short stacking energy: -23.427
Base-Backbone interact. energy: 0.048
local terms energy: -63.507120
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -23.213
flat angles P-C4'-P energy: -16.238
tors. eta vs tors. theta energy: 6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 160
Temperature: 2.050000
Total energy: -62.206204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.206204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.206204 (E_RNA)
where:
Base-Base interactions energy: -22.182
where: short stacking energy: -16.878
Base-Backbone interact. energy: -0.300
local terms energy: -39.724369
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -3.763
flat angles P-C4'-P energy: -4.127
tors. eta vs tors. theta energy: 9.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 160
Temperature: 2.433333
Total energy: -46.684844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.684844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.684844 (E_RNA)
where:
Base-Base interactions energy: -12.720
where: short stacking energy: -11.083
Base-Backbone interact. energy: 0.326
local terms energy: -34.291235
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: 12.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 160
Temperature: 2.816667
Total energy: -32.415462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.415462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.415462 (E_RNA)
where:
Base-Base interactions energy: -11.349
where: short stacking energy: -10.641
Base-Backbone interact. energy: -1.276
local terms energy: -19.789470
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -9.920
flat angles C4'-P-C4' energy: -7.671
flat angles P-C4'-P energy: -0.934
tors. eta vs tors. theta energy: 17.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 160
Temperature: 3.200000
Total energy: -28.902735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.902735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.902735 (E_RNA)
where:
Base-Base interactions energy: -1.065
where: short stacking energy: -0.238
Base-Backbone interact. energy: 2.366
local terms energy: -30.203383
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -9.242
flat angles P-C4'-P energy: -2.987
tors. eta vs tors. theta energy: 15.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 160
Temperature: 3.583333
Total energy: -21.744537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.744537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.744537 (E_RNA)
where:
Base-Base interactions energy: -4.627
where: short stacking energy: -4.627
Base-Backbone interact. energy: 1.892
local terms energy: -19.008913
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -5.218
flat angles P-C4'-P energy: 5.259
tors. eta vs tors. theta energy: 15.706
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: 10
=====================================
Write number: 160
Temperature: 3.966667
Total energy: -13.885389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.885389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.885389 (E_RNA)
where:
Base-Base interactions energy: -1.781
where: short stacking energy: 1.852
Base-Backbone interact. energy: -1.341
local terms energy: -10.763070
where:
bonds (distance) C4'-P energy: -8.482
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: 4.125
flat angles P-C4'-P energy: -0.841
tors. eta vs tors. theta energy: 11.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 160
Temperature: 4.350000
Total energy: -5.892235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.892235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.892235 (E_RNA)
where:
Base-Base interactions energy: -2.416
where: short stacking energy: -0.380
Base-Backbone interact. energy: 6.312
local terms energy: -9.788492
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -3.178
flat angles P-C4'-P energy: 8.477
tors. eta vs tors. theta energy: 10.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -371.726685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.726685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.726685 (E_RNA)
where:
Base-Base interactions energy: -245.545
where: short stacking energy: -114.189
Base-Backbone interact. energy: -0.790
local terms energy: -125.392137
where:
bonds (distance) C4'-P energy: -27.036
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -26.859
flat angles P-C4'-P energy: -18.164
tors. eta vs tors. theta energy: -28.723
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: 2, replica: 2
=====================================
Write number: 161
Temperature: 1.283333
Total energy: -193.825742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.825742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.825742 (E_RNA)
where:
Base-Base interactions energy: -107.545
where: short stacking energy: -53.450
Base-Backbone interact. energy: -0.322
local terms energy: -85.958611
where:
bonds (distance) C4'-P energy: -25.369
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -7.376
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: 161
Temperature: 1.666667
Total energy: -79.918750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.918750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.918750 (E_RNA)
where:
Base-Base interactions energy: -25.030
where: short stacking energy: -25.030
Base-Backbone interact. energy: -0.006
local terms energy: -54.882630
where:
bonds (distance) C4'-P energy: -23.591
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: 10.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 161
Temperature: 2.050000
Total energy: -77.487673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.487673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.487673 (E_RNA)
where:
Base-Base interactions energy: -21.402
where: short stacking energy: -13.785
Base-Backbone interact. energy: -1.055
local terms energy: -55.030889
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -19.512
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: 7.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 161
Temperature: 2.433333
Total energy: -44.517756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.517756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.517756 (E_RNA)
where:
Base-Base interactions energy: -14.051
where: short stacking energy: -12.496
Base-Backbone interact. energy: 0.476
local terms energy: -30.942583
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -3.062
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: 13.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 161
Temperature: 2.816667
Total energy: -34.536158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.536158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.536158 (E_RNA)
where:
Base-Base interactions energy: 0.590
where: short stacking energy: 0.000
Base-Backbone interact. energy: 1.451
local terms energy: -36.576510
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -17.444
flat angles C4'-P-C4' energy: -9.140
flat angles P-C4'-P energy: -4.480
tors. eta vs tors. theta energy: 12.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 161
Temperature: 3.200000
Total energy: -23.948455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.948455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.948455 (E_RNA)
where:
Base-Base interactions energy: -3.943
where: short stacking energy: -2.189
Base-Backbone interact. energy: -0.370
local terms energy: -19.635188
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: 4.412
tors. eta vs tors. theta energy: 18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 161
Temperature: 3.583333
Total energy: -24.326747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.326747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.326747 (E_RNA)
where:
Base-Base interactions energy: 2.032
where: short stacking energy: -3.268
Base-Backbone interact. energy: 1.436
local terms energy: -27.794857
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: 1.647
tors. eta vs tors. theta energy: 19.633
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: 10
=====================================
Write number: 161
Temperature: 3.966667
Total energy: -15.740378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.740378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.740378 (E_RNA)
where:
Base-Base interactions energy: -5.783
where: short stacking energy: -7.609
Base-Backbone interact. energy: 3.321
local terms energy: -13.277850
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -7.945
flat angles C4'-P-C4' energy: -8.527
flat angles P-C4'-P energy: 6.547
tors. eta vs tors. theta energy: 11.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 161
Temperature: 4.350000
Total energy: -0.243958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.243958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.243958 (E_RNA)
where:
Base-Base interactions energy: -4.949
where: short stacking energy: -4.949
Base-Backbone interact. energy: -0.749
local terms energy: 5.454026
where:
bonds (distance) C4'-P energy: 0.902
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -7.912
flat angles P-C4'-P energy: 6.855
tors. eta vs tors. theta energy: 18.020
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: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -381.635559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.635559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.635559 (E_RNA)
where:
Base-Base interactions energy: -261.029
where: short stacking energy: -122.262
Base-Backbone interact. energy: -0.456
local terms energy: -120.150812
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -24.212
flat angles C4'-P-C4' energy: -26.051
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -32.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 162
Temperature: 1.283333
Total energy: -199.267298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.267298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.267298 (E_RNA)
where:
Base-Base interactions energy: -131.406
where: short stacking energy: -63.810
Base-Backbone interact. energy: -0.478
local terms energy: -67.382770
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -10.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.666667
Total energy: -87.720154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.720154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.720154 (E_RNA)
where:
Base-Base interactions energy: -21.798
where: short stacking energy: -18.591
Base-Backbone interact. energy: -0.337
local terms energy: -65.584395
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -22.652
flat angles C4'-P-C4' energy: -22.875
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: 5.644
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: 4, replica: 9
=====================================
Write number: 162
Temperature: 2.050000
Total energy: -69.150259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.150259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.150259 (E_RNA)
where:
Base-Base interactions energy: -15.435
where: short stacking energy: -12.911
Base-Backbone interact. energy: 0.017
local terms energy: -53.731453
where:
bonds (distance) C4'-P energy: -24.765
bonds (distance) P-C4' energy: -19.273
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: 12.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 162
Temperature: 2.433333
Total energy: -47.380569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.380569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.380569 (E_RNA)
where:
Base-Base interactions energy: -18.725
where: short stacking energy: -11.662
Base-Backbone interact. energy: -0.259
local terms energy: -28.396995
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -8.714
flat angles P-C4'-P energy: 10.680
tors. eta vs tors. theta energy: 1.681
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: 4
=====================================
Write number: 162
Temperature: 2.816667
Total energy: -47.101600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.101600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.101600 (E_RNA)
where:
Base-Base interactions energy: -13.411
where: short stacking energy: -12.576
Base-Backbone interact. energy: -0.473
local terms energy: -33.217440
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -1.156
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: 14.374
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: 6
=====================================
Write number: 162
Temperature: 3.200000
Total energy: -21.308492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.308492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.308492 (E_RNA)
where:
Base-Base interactions energy: -2.626
where: short stacking energy: -0.461
Base-Backbone interact. energy: 0.001
local terms energy: -18.683494
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -9.787
flat angles P-C4'-P energy: 3.052
tors. eta vs tors. theta energy: 18.865
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: 7
=====================================
Write number: 162
Temperature: 3.583333
Total energy: -16.616441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.616441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.616441 (E_RNA)
where:
Base-Base interactions energy: -2.646
where: short stacking energy: -1.635
Base-Backbone interact. energy: 1.304
local terms energy: -15.275008
where:
bonds (distance) C4'-P energy: -5.255
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -2.506
flat angles P-C4'-P energy: -2.511
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: 9, replica: 10
=====================================
Write number: 162
Temperature: 3.966667
Total energy: -17.670363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.670363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.670363 (E_RNA)
where:
Base-Base interactions energy: -10.608
where: short stacking energy: -1.192
Base-Backbone interact. energy: 3.578
local terms energy: -10.640593
where:
bonds (distance) C4'-P energy: 4.529
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -3.909
tors. eta vs tors. theta energy: 16.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 162
Temperature: 4.350000
Total energy: 1.002348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.002348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.002348 (E_RNA)
where:
Base-Base interactions energy: -0.968
where: short stacking energy: -0.931
Base-Backbone interact. energy: 2.880
local terms energy: -0.910144
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: 16.719
tors. eta vs tors. theta energy: 18.549
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: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -375.979776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.979776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.979776 (E_RNA)
where:
Base-Base interactions energy: -247.760
where: short stacking energy: -116.021
Base-Backbone interact. energy: -1.133
local terms energy: -127.086329
where:
bonds (distance) C4'-P energy: -26.996
bonds (distance) P-C4' energy: -27.076
flat angles C4'-P-C4' energy: -26.130
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -30.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 163
Temperature: 1.283333
Total energy: -192.143796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.143796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.143796 (E_RNA)
where:
Base-Base interactions energy: -114.494
where: short stacking energy: -59.835
Base-Backbone interact. energy: 0.553
local terms energy: -78.202670
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -11.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 163
Temperature: 1.666667
Total energy: -99.051624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.051624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.051624 (E_RNA)
where:
Base-Base interactions energy: -40.287
where: short stacking energy: -40.287
Base-Backbone interact. energy: 1.279
local terms energy: -60.043673
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -22.092
flat angles C4'-P-C4' energy: -24.423
flat angles P-C4'-P energy: -1.598
tors. eta vs tors. theta energy: 4.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 163
Temperature: 2.050000
Total energy: -62.066870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.066870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.066870 (E_RNA)
where:
Base-Base interactions energy: -22.941
where: short stacking energy: -20.809
Base-Backbone interact. energy: -0.519
local terms energy: -38.606791
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -9.726
flat angles C4'-P-C4' energy: -7.211
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: 6.766
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: 8
=====================================
Write number: 163
Temperature: 2.433333
Total energy: -51.638187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.638187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.638187 (E_RNA)
where:
Base-Base interactions energy: -10.170
where: short stacking energy: -9.661
Base-Backbone interact. energy: -0.185
local terms energy: -41.283358
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -13.689
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -0.775
tors. eta vs tors. theta energy: 12.642
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: 163
Temperature: 2.816667
Total energy: -30.036442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.036442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.036442 (E_RNA)
where:
Base-Base interactions energy: -7.191
where: short stacking energy: -7.191
Base-Backbone interact. energy: -0.213
local terms energy: -22.632329
where:
bonds (distance) C4'-P energy: -6.891
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -3.850
tors. eta vs tors. theta energy: 12.949
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: 4
=====================================
Write number: 163
Temperature: 3.200000
Total energy: -18.636814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.636814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.636814 (E_RNA)
where:
Base-Base interactions energy: -9.734
where: short stacking energy: -7.052
Base-Backbone interact. energy: -0.462
local terms energy: -8.441181
where:
bonds (distance) C4'-P energy: 1.879
bonds (distance) P-C4' energy: -7.382
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: 14.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 163
Temperature: 3.583333
Total energy: -25.957251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.957251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.957251 (E_RNA)
where:
Base-Base interactions energy: -2.685
where: short stacking energy: -3.085
Base-Backbone interact. energy: 6.916
local terms energy: -30.187916
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -1.082
tors. eta vs tors. theta energy: 14.105
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: 7
=====================================
Write number: 163
Temperature: 3.966667
Total energy: -19.770250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.770250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.770250 (E_RNA)
where:
Base-Base interactions energy: -7.946
where: short stacking energy: -7.905
Base-Backbone interact. energy: 5.471
local terms energy: -17.294878
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: 2.301
flat angles P-C4'-P energy: -3.465
tors. eta vs tors. theta energy: 10.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 163
Temperature: 4.350000
Total energy: -3.414481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.414481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.414481 (E_RNA)
where:
Base-Base interactions energy: -5.765
where: short stacking energy: -4.919
Base-Backbone interact. energy: -0.389
local terms energy: 2.739337
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: 1.110
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: 11.166
tors. eta vs tors. theta energy: 13.819
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: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -379.842460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.842460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.842460 (E_RNA)
where:
Base-Base interactions energy: -253.411
where: short stacking energy: -110.751
Base-Backbone interact. energy: -1.320
local terms energy: -125.111673
where:
bonds (distance) C4'-P energy: -23.875
bonds (distance) P-C4' energy: -26.591
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -33.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 164
Temperature: 1.283333
Total energy: -198.149410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.149410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.149410 (E_RNA)
where:
Base-Base interactions energy: -103.559
where: short stacking energy: -68.533
Base-Backbone interact. energy: -0.675
local terms energy: -93.914891
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -24.817
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -15.815
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: 3
=====================================
Write number: 164
Temperature: 1.666667
Total energy: -78.264750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.264750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.264750 (E_RNA)
where:
Base-Base interactions energy: -17.319
where: short stacking energy: -18.476
Base-Backbone interact. energy: -0.959
local terms energy: -59.986395
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: 7.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 164
Temperature: 2.050000
Total energy: -60.770941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.770941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.770941 (E_RNA)
where:
Base-Base interactions energy: -18.795
where: short stacking energy: -16.897
Base-Backbone interact. energy: 1.998
local terms energy: -43.974150
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: 1.035
tors. eta vs tors. theta energy: 10.823
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: 8
=====================================
Write number: 164
Temperature: 2.433333
Total energy: -43.282367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.282367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.282367 (E_RNA)
where:
Base-Base interactions energy: -11.668
where: short stacking energy: -10.914
Base-Backbone interact. energy: -1.433
local terms energy: -30.181228
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -7.656
flat angles P-C4'-P energy: -4.686
tors. eta vs tors. theta energy: 13.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 164
Temperature: 2.816667
Total energy: -41.122686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.122686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.122686 (E_RNA)
where:
Base-Base interactions energy: -11.034
where: short stacking energy: -4.435
Base-Backbone interact. energy: -0.397
local terms energy: -29.691920
where:
bonds (distance) C4'-P energy: -9.269
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -5.769
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: 10.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 164
Temperature: 3.200000
Total energy: -32.659225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.659225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.659225 (E_RNA)
where:
Base-Base interactions energy: -11.248
where: short stacking energy: -9.979
Base-Backbone interact. energy: 3.046
local terms energy: -24.456995
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -1.595
flat angles C4'-P-C4' energy: -8.810
flat angles P-C4'-P energy: -2.788
tors. eta vs tors. theta energy: 6.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 164
Temperature: 3.583333
Total energy: -15.874167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.874167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.874167 (E_RNA)
where:
Base-Base interactions energy: -1.963
where: short stacking energy: -3.448
Base-Backbone interact. energy: -0.466
local terms energy: -13.445316
where:
bonds (distance) C4'-P energy: -5.063
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -5.276
flat angles P-C4'-P energy: 1.409
tors. eta vs tors. theta energy: 10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 164
Temperature: 3.966667
Total energy: -25.278572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.278572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.278572 (E_RNA)
where:
Base-Base interactions energy: -3.667
where: short stacking energy: -3.068
Base-Backbone interact. energy: 0.660
local terms energy: -22.271151
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -6.194
flat angles P-C4'-P energy: -3.812
tors. eta vs tors. theta energy: 15.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 164
Temperature: 4.350000
Total energy: -0.354257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.354257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.354257 (E_RNA)
where:
Base-Base interactions energy: -0.344
where: short stacking energy: -0.344
Base-Backbone interact. energy: -0.111
local terms energy: 0.100809
where:
bonds (distance) C4'-P energy: -6.833
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: 1.963
flat angles P-C4'-P energy: 2.954
tors. eta vs tors. theta energy: 16.003
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: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -383.024937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.024937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.024937 (E_RNA)
where:
Base-Base interactions energy: -259.458
where: short stacking energy: -119.241
Base-Backbone interact. energy: 0.110
local terms energy: -123.676725
where:
bonds (distance) C4'-P energy: -26.747
bonds (distance) P-C4' energy: -23.441
flat angles C4'-P-C4' energy: -25.743
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -34.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 165
Temperature: 1.283333
Total energy: -199.050252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.050252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.050252 (E_RNA)
where:
Base-Base interactions energy: -105.997
where: short stacking energy: -49.112
Base-Backbone interact. energy: 1.876
local terms energy: -94.929561
where:
bonds (distance) C4'-P energy: -25.474
bonds (distance) P-C4' energy: -23.810
flat angles C4'-P-C4' energy: -18.448
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -13.749
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: 3
=====================================
Write number: 165
Temperature: 1.666667
Total energy: -87.813097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.813097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.813097 (E_RNA)
where:
Base-Base interactions energy: -23.042
where: short stacking energy: -23.842
Base-Backbone interact. energy: -0.118
local terms energy: -64.653072
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: 3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 165
Temperature: 2.050000
Total energy: -74.335189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.335189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.335189 (E_RNA)
where:
Base-Base interactions energy: -20.144
where: short stacking energy: -13.467
Base-Backbone interact. energy: 0.524
local terms energy: -54.715056
where:
bonds (distance) C4'-P energy: -21.348
bonds (distance) P-C4' energy: -25.938
flat angles C4'-P-C4' energy: -8.729
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: 11.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 165
Temperature: 2.433333
Total energy: -52.875357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.875357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.875357 (E_RNA)
where:
Base-Base interactions energy: -11.670
where: short stacking energy: -9.524
Base-Backbone interact. energy: 0.552
local terms energy: -41.756912
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -4.506
tors. eta vs tors. theta energy: 10.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 165
Temperature: 2.816667
Total energy: -34.254341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.254341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.254341 (E_RNA)
where:
Base-Base interactions energy: -6.991
where: short stacking energy: -6.760
Base-Backbone interact. energy: -0.025
local terms energy: -27.238567
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -8.906
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -3.591
tors. eta vs tors. theta energy: 13.119
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: 165
Temperature: 3.200000
Total energy: -22.060901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.060901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.060901 (E_RNA)
where:
Base-Base interactions energy: -4.345
where: short stacking energy: -2.536
Base-Backbone interact. energy: -0.473
local terms energy: -17.243344
where:
bonds (distance) C4'-P energy: -9.223
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -3.382
flat angles P-C4'-P energy: 0.578
tors. eta vs tors. theta energy: 14.064
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: 5
=====================================
Write number: 165
Temperature: 3.583333
Total energy: -24.746155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.746155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.746155 (E_RNA)
where:
Base-Base interactions energy: -8.114
where: short stacking energy: -9.967
Base-Backbone interact. energy: -0.999
local terms energy: -15.632780
where:
bonds (distance) C4'-P energy: -6.810
bonds (distance) P-C4' energy: -9.391
flat angles C4'-P-C4' energy: 3.587
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: 8.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 165
Temperature: 3.966667
Total energy: -12.173098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.173098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.173098 (E_RNA)
where:
Base-Base interactions energy: -5.222
where: short stacking energy: -4.121
Base-Backbone interact. energy: 0.194
local terms energy: -7.145106
where:
bonds (distance) C4'-P energy: -6.377
bonds (distance) P-C4' energy: -8.283
flat angles C4'-P-C4' energy: 2.636
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: 10.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 165
Temperature: 4.350000
Total energy: -1.748580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.748580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.748580 (E_RNA)
where:
Base-Base interactions energy: -0.910
where: short stacking energy: -0.910
Base-Backbone interact. energy: -0.568
local terms energy: -0.270707
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -8.162
flat angles C4'-P-C4' energy: 5.638
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: 18.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -388.755363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.755363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.755363 (E_RNA)
where:
Base-Base interactions energy: -257.094
where: short stacking energy: -119.272
Base-Backbone interact. energy: 0.551
local terms energy: -132.212648
where:
bonds (distance) C4'-P energy: -25.195
bonds (distance) P-C4' energy: -24.280
flat angles C4'-P-C4' energy: -27.340
flat angles P-C4'-P energy: -20.766
tors. eta vs tors. theta energy: -34.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 166
Temperature: 1.283333
Total energy: -196.472375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.472375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.472375 (E_RNA)
where:
Base-Base interactions energy: -111.598
where: short stacking energy: -59.572
Base-Backbone interact. energy: -0.590
local terms energy: -84.284704
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -20.607
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -18.685
tors. eta vs tors. theta energy: -6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 166
Temperature: 1.666667
Total energy: -90.854618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.854618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.854618 (E_RNA)
where:
Base-Base interactions energy: -51.952
where: short stacking energy: -38.001
Base-Backbone interact. energy: -1.012
local terms energy: -37.890488
where:
bonds (distance) C4'-P energy: -8.280
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -4.268
tors. eta vs tors. theta energy: 6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 166
Temperature: 2.050000
Total energy: -66.327518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.327518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.327518 (E_RNA)
where:
Base-Base interactions energy: -27.849
where: short stacking energy: -27.847
Base-Backbone interact. energy: -0.560
local terms energy: -37.918243
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: 9.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 166
Temperature: 2.433333
Total energy: -47.615604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.615604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.615604 (E_RNA)
where:
Base-Base interactions energy: -20.030
where: short stacking energy: -19.552
Base-Backbone interact. energy: 0.507
local terms energy: -28.092195
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -8.631
flat angles C4'-P-C4' energy: -9.872
flat angles P-C4'-P energy: -3.295
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: 6, replica: 4
=====================================
Write number: 166
Temperature: 2.816667
Total energy: -34.209576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.209576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.209576 (E_RNA)
where:
Base-Base interactions energy: -13.899
where: short stacking energy: -12.788
Base-Backbone interact. energy: -0.596
local terms energy: -19.715190
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -10.782
flat angles C4'-P-C4' energy: -5.365
flat angles P-C4'-P energy: -3.219
tors. eta vs tors. theta energy: 11.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 166
Temperature: 3.200000
Total energy: -28.385167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.385167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.385167 (E_RNA)
where:
Base-Base interactions energy: -6.372
where: short stacking energy: -4.328
Base-Backbone interact. energy: 1.856
local terms energy: -23.869382
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -2.287
flat angles C4'-P-C4' energy: -6.347
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: 11.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 166
Temperature: 3.583333
Total energy: -24.390659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.390659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.390659 (E_RNA)
where:
Base-Base interactions energy: -9.987
where: short stacking energy: -11.206
Base-Backbone interact. energy: 1.424
local terms energy: -15.828433
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -4.852
flat angles P-C4'-P energy: -2.185
tors. eta vs tors. theta energy: 16.484
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: 166
Temperature: 3.966667
Total energy: -6.927410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.927410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.927410 (E_RNA)
where:
Base-Base interactions energy: -8.920
where: short stacking energy: -5.659
Base-Backbone interact. energy: 3.405
local terms energy: -1.413079
where:
bonds (distance) C4'-P energy: -1.415
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: 2.311
flat angles P-C4'-P energy: -1.950
tors. eta vs tors. theta energy: 12.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 166
Temperature: 4.350000
Total energy: -4.971952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.971952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.971952 (E_RNA)
where:
Base-Base interactions energy: -8.624
where: short stacking energy: -7.639
Base-Backbone interact. energy: 1.082
local terms energy: 2.570042
where:
bonds (distance) C4'-P energy: 0.882
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: 0.543
flat angles P-C4'-P energy: 0.105
tors. eta vs tors. theta energy: 14.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -385.354753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.354753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.354753 (E_RNA)
where:
Base-Base interactions energy: -254.519
where: short stacking energy: -121.780
Base-Backbone interact. energy: -0.082
local terms energy: -130.753998
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -26.845
flat angles C4'-P-C4' energy: -23.686
flat angles P-C4'-P energy: -20.507
tors. eta vs tors. theta energy: -36.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 167
Temperature: 1.283333
Total energy: -189.845521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.845521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.845521 (E_RNA)
where:
Base-Base interactions energy: -98.112
where: short stacking energy: -56.441
Base-Backbone interact. energy: -1.083
local terms energy: -90.651322
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -24.605
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -20.751
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: 3, replica: 3
=====================================
Write number: 167
Temperature: 1.666667
Total energy: -86.053144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.053144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.053144 (E_RNA)
where:
Base-Base interactions energy: -26.262
where: short stacking energy: -20.113
Base-Backbone interact. energy: -0.103
local terms energy: -59.688538
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -22.804
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -0.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 167
Temperature: 2.050000
Total energy: -62.629872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.629872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.629872 (E_RNA)
where:
Base-Base interactions energy: -11.508
where: short stacking energy: -11.311
Base-Backbone interact. energy: 0.069
local terms energy: -51.191246
where:
bonds (distance) C4'-P energy: -21.875
bonds (distance) P-C4' energy: -23.333
flat angles C4'-P-C4' energy: -9.279
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: 11.992
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: 5, replica: 9
=====================================
Write number: 167
Temperature: 2.433333
Total energy: -43.307937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.307937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.307937 (E_RNA)
where:
Base-Base interactions energy: -9.475
where: short stacking energy: -3.602
Base-Backbone interact. energy: -1.252
local terms energy: -32.581488
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -1.158
tors. eta vs tors. theta energy: 14.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 167
Temperature: 2.816667
Total energy: -43.166142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.166142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.166142 (E_RNA)
where:
Base-Base interactions energy: -5.593
where: short stacking energy: -5.793
Base-Backbone interact. energy: -0.460
local terms energy: -37.112832
where:
bonds (distance) C4'-P energy: -2.169
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -24.626
flat angles P-C4'-P energy: -2.081
tors. eta vs tors. theta energy: 8.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 167
Temperature: 3.200000
Total energy: -23.693451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.693451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.693451 (E_RNA)
where:
Base-Base interactions energy: -10.052
where: short stacking energy: -6.697
Base-Backbone interact. energy: 3.416
local terms energy: -17.057403
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -10.009
flat angles C4'-P-C4' energy: -5.435
flat angles P-C4'-P energy: -0.874
tors. eta vs tors. theta energy: 10.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 167
Temperature: 3.583333
Total energy: -19.485221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.485221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.485221 (E_RNA)
where:
Base-Base interactions energy: -12.669
where: short stacking energy: -10.330
Base-Backbone interact. energy: 6.397
local terms energy: -13.213063
where:
bonds (distance) C4'-P energy: -7.719
bonds (distance) P-C4' energy: -17.261
flat angles C4'-P-C4' energy: 8.719
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: 16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 167
Temperature: 3.966667
Total energy: -10.237257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.237257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.237257 (E_RNA)
where:
Base-Base interactions energy: -1.955
where: short stacking energy: -1.445
Base-Backbone interact. energy: 6.128
local terms energy: -14.409839
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -6.161
flat angles C4'-P-C4' energy: -1.353
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: 11.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 167
Temperature: 4.350000
Total energy: -6.699120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.699120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.699120 (E_RNA)
where:
Base-Base interactions energy: -4.770
where: short stacking energy: -1.941
Base-Backbone interact. energy: 0.792
local terms energy: -2.721213
where:
bonds (distance) C4'-P energy: -7.431
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -5.571
flat angles P-C4'-P energy: 3.928
tors. eta vs tors. theta energy: 19.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -389.440169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.440169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.440169 (E_RNA)
where:
Base-Base interactions energy: -256.987
where: short stacking energy: -130.902
Base-Backbone interact. energy: -0.073
local terms energy: -132.380217
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -26.146
flat angles C4'-P-C4' energy: -29.009
flat angles P-C4'-P energy: -19.719
tors. eta vs tors. theta energy: -36.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 168
Temperature: 1.283333
Total energy: -214.695765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.695765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.695765 (E_RNA)
where:
Base-Base interactions energy: -124.502
where: short stacking energy: -64.905
Base-Backbone interact. energy: 0.355
local terms energy: -90.548297
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -27.113
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -14.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.666667
Total energy: -103.574962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.574962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.574962 (E_RNA)
where:
Base-Base interactions energy: -44.518
where: short stacking energy: -20.341
Base-Backbone interact. energy: -1.082
local terms energy: -57.974645
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: 8.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 168
Temperature: 2.050000
Total energy: -61.824444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.824444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.824444 (E_RNA)
where:
Base-Base interactions energy: -11.052
where: short stacking energy: -8.840
Base-Backbone interact. energy: -0.963
local terms energy: -49.808923
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -8.883
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: 7.892
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: 5, replica: 4
=====================================
Write number: 168
Temperature: 2.433333
Total energy: -45.473201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.473201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.473201 (E_RNA)
where:
Base-Base interactions energy: -16.638
where: short stacking energy: -8.265
Base-Backbone interact. energy: -0.293
local terms energy: -28.542884
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: 16.222
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: 9
=====================================
Write number: 168
Temperature: 2.816667
Total energy: -40.214018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.214018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.214018 (E_RNA)
where:
Base-Base interactions energy: -10.825
where: short stacking energy: -4.653
Base-Backbone interact. energy: 0.991
local terms energy: -30.380563
where:
bonds (distance) C4'-P energy: -9.085
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -7.413
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: 13.937
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: 5
=====================================
Write number: 168
Temperature: 3.200000
Total energy: -22.280492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.280492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.280492 (E_RNA)
where:
Base-Base interactions energy: -1.763
where: short stacking energy: -1.155
Base-Backbone interact. energy: 1.127
local terms energy: -21.643926
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -2.640
flat angles P-C4'-P energy: 5.307
tors. eta vs tors. theta energy: 10.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 3.583333
Total energy: -14.617586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.617586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.617586 (E_RNA)
where:
Base-Base interactions energy: -1.917
where: short stacking energy: -2.749
Base-Backbone interact. energy: 5.972
local terms energy: -18.673523
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: 6.645
flat angles P-C4'-P energy: -2.513
tors. eta vs tors. theta energy: 13.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 168
Temperature: 3.966667
Total energy: -17.549675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.549675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.549675 (E_RNA)
where:
Base-Base interactions energy: -1.869
where: short stacking energy: -0.691
Base-Backbone interact. energy: 0.546
local terms energy: -16.226666
where:
bonds (distance) C4'-P energy: -9.260
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -6.611
flat angles P-C4'-P energy: -0.304
tors. eta vs tors. theta energy: 10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 168
Temperature: 4.350000
Total energy: -5.918902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.918902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.918902 (E_RNA)
where:
Base-Base interactions energy: -9.773
where: short stacking energy: -9.059
Base-Backbone interact. energy: 4.320
local terms energy: -0.466394
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -6.914
flat angles C4'-P-C4' energy: -6.253
flat angles P-C4'-P energy: 2.703
tors. eta vs tors. theta energy: 16.914
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: 169
Temperature: 0.900000
Total energy: -392.970328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.970328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.970328 (E_RNA)
where:
Base-Base interactions energy: -257.325
where: short stacking energy: -117.010
Base-Backbone interact. energy: -1.225
local terms energy: -134.420739
where:
bonds (distance) C4'-P energy: -25.936
bonds (distance) P-C4' energy: -24.540
flat angles C4'-P-C4' energy: -28.399
flat angles P-C4'-P energy: -20.043
tors. eta vs tors. theta energy: -35.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 169
Temperature: 1.283333
Total energy: -197.424741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.424741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.424741 (E_RNA)
where:
Base-Base interactions energy: -115.964
where: short stacking energy: -69.093
Base-Backbone interact. energy: -0.442
local terms energy: -81.019077
where:
bonds (distance) C4'-P energy: -22.633
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -22.684
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -6.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.666667
Total energy: -88.880094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.880094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.880094 (E_RNA)
where:
Base-Base interactions energy: -26.664
where: short stacking energy: -23.408
Base-Backbone interact. energy: -0.491
local terms energy: -61.724218
where:
bonds (distance) C4'-P energy: -24.487
bonds (distance) P-C4' energy: -19.639
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: 4.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 169
Temperature: 2.050000
Total energy: -56.449028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.449028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.449028 (E_RNA)
where:
Base-Base interactions energy: -13.209
where: short stacking energy: -12.698
Base-Backbone interact. energy: -0.173
local terms energy: -43.066447
where:
bonds (distance) C4'-P energy: -20.900
bonds (distance) P-C4' energy: -11.910
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: 9.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 169
Temperature: 2.433333
Total energy: -48.246920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.246920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.246920 (E_RNA)
where:
Base-Base interactions energy: -20.017
where: short stacking energy: -19.716
Base-Backbone interact. energy: 1.664
local terms energy: -29.894291
where:
bonds (distance) C4'-P energy: -19.728
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -2.790
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: 17.344
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: 5
=====================================
Write number: 169
Temperature: 2.816667
Total energy: -30.766288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.766288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.766288 (E_RNA)
where:
Base-Base interactions energy: -12.171
where: short stacking energy: -7.984
Base-Backbone interact. energy: -1.360
local terms energy: -17.235243
where:
bonds (distance) C4'-P energy: -1.807
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -4.164
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: 14.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 169
Temperature: 3.200000
Total energy: -27.303401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.303401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.303401 (E_RNA)
where:
Base-Base interactions energy: -0.585
where: short stacking energy: -0.215
Base-Backbone interact. energy: 0.755
local terms energy: -27.473174
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -0.112
tors. eta vs tors. theta energy: 19.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 3.583333
Total energy: -34.387829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.387829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.387829 (E_RNA)
where:
Base-Base interactions energy: -8.785
where: short stacking energy: -4.769
Base-Backbone interact. energy: -0.248
local terms energy: -25.354336
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -21.594
flat angles C4'-P-C4' energy: 0.365
flat angles P-C4'-P energy: -3.367
tors. eta vs tors. theta energy: 14.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 3.966667
Total energy: -10.646582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.646582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.646582 (E_RNA)
where:
Base-Base interactions energy: -5.456
where: short stacking energy: -2.336
Base-Backbone interact. energy: 7.340
local terms energy: -12.530784
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -8.437
flat angles P-C4'-P energy: 9.285
tors. eta vs tors. theta energy: 14.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 169
Temperature: 4.350000
Total energy: -8.727725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.727725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.727725 (E_RNA)
where:
Base-Base interactions energy: -6.190
where: short stacking energy: -4.981
Base-Backbone interact. energy: 6.002
local terms energy: -8.539403
where:
bonds (distance) C4'-P energy: -19.071
bonds (distance) P-C4' energy: 0.166
flat angles C4'-P-C4' energy: -6.976
flat angles P-C4'-P energy: -2.503
tors. eta vs tors. theta energy: 19.845
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: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -394.726550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.726550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.726550 (E_RNA)
where:
Base-Base interactions energy: -260.510
where: short stacking energy: -129.348
Base-Backbone interact. energy: 0.384
local terms energy: -134.600806
where:
bonds (distance) C4'-P energy: -27.083
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -28.364
flat angles P-C4'-P energy: -17.098
tors. eta vs tors. theta energy: -36.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 1.283333
Total energy: -188.306870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.306870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.306870 (E_RNA)
where:
Base-Base interactions energy: -104.456
where: short stacking energy: -56.896
Base-Backbone interact. energy: -0.317
local terms energy: -83.533894
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -22.124
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -4.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 170
Temperature: 1.666667
Total energy: -89.982026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.982026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.982026 (E_RNA)
where:
Base-Base interactions energy: -30.828
where: short stacking energy: -24.024
Base-Backbone interact. energy: -0.191
local terms energy: -58.962527
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: 3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 2.050000
Total energy: -65.483535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.483535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.483535 (E_RNA)
where:
Base-Base interactions energy: -17.165
where: short stacking energy: -14.158
Base-Backbone interact. energy: 0.709
local terms energy: -49.027817
where:
bonds (distance) C4'-P energy: -21.145
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: 6.440
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: 170
Temperature: 2.433333
Total energy: -43.506753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.506753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.506753 (E_RNA)
where:
Base-Base interactions energy: -12.006
where: short stacking energy: -11.448
Base-Backbone interact. energy: 2.687
local terms energy: -34.188192
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -4.484
flat angles P-C4'-P energy: -4.057
tors. eta vs tors. theta energy: 7.748
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: 5
=====================================
Write number: 170
Temperature: 2.816667
Total energy: -29.154565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.154565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.154565 (E_RNA)
where:
Base-Base interactions energy: -8.625
where: short stacking energy: -8.487
Base-Backbone interact. energy: -0.380
local terms energy: -20.149712
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -4.260
flat angles P-C4'-P energy: 1.474
tors. eta vs tors. theta energy: 13.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 170
Temperature: 3.200000
Total energy: -20.389289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.389289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.389289 (E_RNA)
where:
Base-Base interactions energy: -14.489
where: short stacking energy: -5.506
Base-Backbone interact. energy: 3.085
local terms energy: -8.985728
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -0.475
flat angles P-C4'-P energy: 1.714
tors. eta vs tors. theta energy: 14.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 3.583333
Total energy: -17.551904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.551904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.551904 (E_RNA)
where:
Base-Base interactions energy: -6.762
where: short stacking energy: -7.262
Base-Backbone interact. energy: -0.411
local terms energy: -10.378709
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: 2.697
flat angles C4'-P-C4' energy: -5.831
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: 13.060
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: 7
=====================================
Write number: 170
Temperature: 3.966667
Total energy: -11.163645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.163645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.163645 (E_RNA)
where:
Base-Base interactions energy: 0.517
where: short stacking energy: 1.564
Base-Backbone interact. energy: -1.690
local terms energy: -9.990733
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -8.846
flat angles C4'-P-C4' energy: -1.495
flat angles P-C4'-P energy: -1.914
tors. eta vs tors. theta energy: 12.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 170
Temperature: 4.350000
Total energy: -1.598784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.598784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.598784 (E_RNA)
where:
Base-Base interactions energy: 4.461
where: short stacking energy: 4.559
Base-Backbone interact. energy: -0.092
local terms energy: -5.968250
where:
bonds (distance) C4'-P energy: -6.798
bonds (distance) P-C4' energy: -8.818
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: 2.509
tors. eta vs tors. theta energy: 18.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -400.074836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.074836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.074836 (E_RNA)
where:
Base-Base interactions energy: -269.462
where: short stacking energy: -122.172
Base-Backbone interact. energy: -0.100
local terms energy: -130.513802
where:
bonds (distance) C4'-P energy: -27.586
bonds (distance) P-C4' energy: -26.188
flat angles C4'-P-C4' energy: -27.488
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -34.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 1.283333
Total energy: -199.790910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.790910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.790910 (E_RNA)
where:
Base-Base interactions energy: -119.194
where: short stacking energy: -70.701
Base-Backbone interact. energy: -0.418
local terms energy: -80.179255
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -24.946
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -0.334
tors. eta vs tors. theta energy: -14.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.666667
Total energy: -86.258445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.258445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.258445 (E_RNA)
where:
Base-Base interactions energy: -35.190
where: short stacking energy: -32.705
Base-Backbone interact. energy: -0.172
local terms energy: -50.896835
where:
bonds (distance) C4'-P energy: -18.261
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -5.319
flat angles P-C4'-P energy: -5.519
tors. eta vs tors. theta energy: 1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 171
Temperature: 2.050000
Total energy: -63.349849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.349849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.349849 (E_RNA)
where:
Base-Base interactions energy: -11.753
where: short stacking energy: -9.638
Base-Backbone interact. energy: -0.317
local terms energy: -51.280529
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -21.814
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: 7.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 171
Temperature: 2.433333
Total energy: -45.447703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.447703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.447703 (E_RNA)
where:
Base-Base interactions energy: -4.567
where: short stacking energy: -5.884
Base-Backbone interact. energy: 5.472
local terms energy: -46.352706
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -6.924
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: 12.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 171
Temperature: 2.816667
Total energy: -33.117614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.117614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.117614 (E_RNA)
where:
Base-Base interactions energy: -8.090
where: short stacking energy: -3.823
Base-Backbone interact. energy: -0.118
local terms energy: -24.909647
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -3.679
flat angles P-C4'-P energy: -2.088
tors. eta vs tors. theta energy: 10.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 171
Temperature: 3.200000
Total energy: -28.481505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.481505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.481505 (E_RNA)
where:
Base-Base interactions energy: -1.533
where: short stacking energy: 0.589
Base-Backbone interact. energy: 1.351
local terms energy: -28.299468
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: 19.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 171
Temperature: 3.583333
Total energy: -15.298063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.298063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.298063 (E_RNA)
where:
Base-Base interactions energy: -4.999
where: short stacking energy: -2.494
Base-Backbone interact. energy: 0.222
local terms energy: -10.520785
where:
bonds (distance) C4'-P energy: -4.923
bonds (distance) P-C4' energy: -6.936
flat angles C4'-P-C4' energy: -7.864
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: 17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 3.966667
Total energy: -5.351763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.351763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.351763 (E_RNA)
where:
Base-Base interactions energy: -1.667
where: short stacking energy: 0.000
Base-Backbone interact. energy: 1.408
local terms energy: -5.092205
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -5.404
flat angles C4'-P-C4' energy: -3.794
flat angles P-C4'-P energy: -1.834
tors. eta vs tors. theta energy: 18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 171
Temperature: 4.350000
Total energy: -1.782325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.782325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.782325 (E_RNA)
where:
Base-Base interactions energy: -5.108
where: short stacking energy: -1.700
Base-Backbone interact. energy: 4.269
local terms energy: -0.943854
where:
bonds (distance) C4'-P energy: -6.482
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -4.218
flat angles P-C4'-P energy: 8.538
tors. eta vs tors. theta energy: 16.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -389.186794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.186794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.186794 (E_RNA)
where:
Base-Base interactions energy: -263.543
where: short stacking energy: -124.066
Base-Backbone interact. energy: -0.821
local terms energy: -124.823285
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -23.385
flat angles C4'-P-C4' energy: -26.725
flat angles P-C4'-P energy: -20.134
tors. eta vs tors. theta energy: -31.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 172
Temperature: 1.283333
Total energy: -187.565026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.565026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.565026 (E_RNA)
where:
Base-Base interactions energy: -105.894
where: short stacking energy: -53.978
Base-Backbone interact. energy: -0.920
local terms energy: -80.751274
where:
bonds (distance) C4'-P energy: -22.618
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -5.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.666667
Total energy: -84.062916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.062916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.062916 (E_RNA)
where:
Base-Base interactions energy: -25.035
where: short stacking energy: -24.999
Base-Backbone interact. energy: 1.382
local terms energy: -60.409579
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -22.639
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: 1.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 172
Temperature: 2.050000
Total energy: -61.788256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.788256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.788256 (E_RNA)
where:
Base-Base interactions energy: -10.815
where: short stacking energy: -8.975
Base-Backbone interact. energy: -0.164
local terms energy: -50.808497
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -2.413
tors. eta vs tors. theta energy: 7.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 172
Temperature: 2.433333
Total energy: -58.108880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.108880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.108880 (E_RNA)
where:
Base-Base interactions energy: -10.403
where: short stacking energy: -10.063
Base-Backbone interact. energy: 0.035
local terms energy: -47.741246
where:
bonds (distance) C4'-P energy: -18.783
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: 9.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 172
Temperature: 2.816667
Total energy: -36.698177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.698177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.698177 (E_RNA)
where:
Base-Base interactions energy: -7.302
where: short stacking energy: -4.551
Base-Backbone interact. energy: 5.528
local terms energy: -34.923935
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -3.671
tors. eta vs tors. theta energy: 10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 172
Temperature: 3.200000
Total energy: -20.184228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.184228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.184228 (E_RNA)
where:
Base-Base interactions energy: -9.614
where: short stacking energy: -9.614
Base-Backbone interact. energy: 0.886
local terms energy: -11.456277
where:
bonds (distance) C4'-P energy: -8.048
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: 0.428
flat angles P-C4'-P energy: 2.222
tors. eta vs tors. theta energy: 10.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 172
Temperature: 3.583333
Total energy: -19.097842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.097842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.097842 (E_RNA)
where:
Base-Base interactions energy: -7.553
where: short stacking energy: -5.680
Base-Backbone interact. energy: -0.333
local terms energy: -11.211855
where:
bonds (distance) C4'-P energy: -9.452
bonds (distance) P-C4' energy: -22.110
flat angles C4'-P-C4' energy: -4.217
flat angles P-C4'-P energy: 10.203
tors. eta vs tors. theta energy: 14.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 3.966667
Total energy: -7.912158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.912158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.912158 (E_RNA)
where:
Base-Base interactions energy: -6.475
where: short stacking energy: -5.940
Base-Backbone interact. energy: 2.564
local terms energy: -4.001089
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -8.174
flat angles C4'-P-C4' energy: 0.800
flat angles P-C4'-P energy: 2.627
tors. eta vs tors. theta energy: 15.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 172
Temperature: 4.350000
Total energy: -13.400521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.400521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.400521 (E_RNA)
where:
Base-Base interactions energy: -0.411
where: short stacking energy: -0.318
Base-Backbone interact. energy: -0.587
local terms energy: -12.403154
where:
bonds (distance) C4'-P energy: -6.311
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -7.244
flat angles P-C4'-P energy: 3.254
tors. eta vs tors. theta energy: 18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -387.326189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.326189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.326189 (E_RNA)
where:
Base-Base interactions energy: -260.956
where: short stacking energy: -128.469
Base-Backbone interact. energy: -1.230
local terms energy: -125.140212
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -24.449
flat angles C4'-P-C4' energy: -25.284
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -39.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 173
Temperature: 1.283333
Total energy: -213.643680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.643680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.643680 (E_RNA)
where:
Base-Base interactions energy: -121.364
where: short stacking energy: -73.105
Base-Backbone interact. energy: -0.042
local terms energy: -92.237948
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 173
Temperature: 1.666667
Total energy: -86.398672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.398672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.398672 (E_RNA)
where:
Base-Base interactions energy: -27.167
where: short stacking energy: -26.478
Base-Backbone interact. energy: -0.244
local terms energy: -58.987818
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -25.710
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: 5.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 173
Temperature: 2.050000
Total energy: -66.635750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.635750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.635750 (E_RNA)
where:
Base-Base interactions energy: -17.169
where: short stacking energy: -17.169
Base-Backbone interact. energy: -0.189
local terms energy: -49.277510
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -20.789
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: 6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 173
Temperature: 2.433333
Total energy: -48.055884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.055884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.055884 (E_RNA)
where:
Base-Base interactions energy: -11.684
where: short stacking energy: -9.120
Base-Backbone interact. energy: 3.638
local terms energy: -40.010356
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: 10.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 173
Temperature: 2.816667
Total energy: -35.553218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.553218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.553218 (E_RNA)
where:
Base-Base interactions energy: -12.241
where: short stacking energy: -10.546
Base-Backbone interact. energy: 2.516
local terms energy: -25.827928
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: 2.456
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: 7, replica: 4
=====================================
Write number: 173
Temperature: 3.200000
Total energy: -28.827427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.827427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.827427 (E_RNA)
where:
Base-Base interactions energy: -9.057
where: short stacking energy: -8.083
Base-Backbone interact. energy: 3.011
local terms energy: -22.782085
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -24.126
flat angles C4'-P-C4' energy: 6.551
flat angles P-C4'-P energy: -4.204
tors. eta vs tors. theta energy: 12.720
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: 10
=====================================
Write number: 173
Temperature: 3.583333
Total energy: -12.318787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.318787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.318787 (E_RNA)
where:
Base-Base interactions energy: -1.681
where: short stacking energy: -1.449
Base-Backbone interact. energy: 1.456
local terms energy: -12.094038
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -9.132
flat angles P-C4'-P energy: 9.782
tors. eta vs tors. theta energy: 9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 173
Temperature: 3.966667
Total energy: -7.283308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.283308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.283308 (E_RNA)
where:
Base-Base interactions energy: -7.408
where: short stacking energy: -5.539
Base-Backbone interact. energy: -0.641
local terms energy: 0.765702
where:
bonds (distance) C4'-P energy: -2.468
bonds (distance) P-C4' energy: -8.381
flat angles C4'-P-C4' energy: -7.173
flat angles P-C4'-P energy: 0.945
tors. eta vs tors. theta energy: 17.843
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: 10, replica: 7
=====================================
Write number: 173
Temperature: 4.350000
Total energy: -1.353749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.353749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.353749 (E_RNA)
where:
Base-Base interactions energy: -9.293
where: short stacking energy: -6.432
Base-Backbone interact. energy: 3.249
local terms energy: 4.689694
where:
bonds (distance) C4'-P energy: 1.066
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -1.098
flat angles P-C4'-P energy: 2.452
tors. eta vs tors. theta energy: 16.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -382.475015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.475015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.475015 (E_RNA)
where:
Base-Base interactions energy: -248.310
where: short stacking energy: -115.089
Base-Backbone interact. energy: -0.428
local terms energy: -133.736408
where:
bonds (distance) C4'-P energy: -27.617
bonds (distance) P-C4' energy: -25.433
flat angles C4'-P-C4' energy: -25.170
flat angles P-C4'-P energy: -18.448
tors. eta vs tors. theta energy: -37.068
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: 2, replica: 2
=====================================
Write number: 174
Temperature: 1.283333
Total energy: -203.717834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.717834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.717834 (E_RNA)
where:
Base-Base interactions energy: -113.028
where: short stacking energy: -61.516
Base-Backbone interact. energy: -0.629
local terms energy: -90.060467
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -26.062
flat angles C4'-P-C4' energy: -21.647
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -11.946
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: 8
=====================================
Write number: 174
Temperature: 1.666667
Total energy: -79.885046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.885046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.885046 (E_RNA)
where:
Base-Base interactions energy: -22.654
where: short stacking energy: -22.996
Base-Backbone interact. energy: -0.389
local terms energy: -56.842463
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -21.669
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: 6.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 174
Temperature: 2.050000
Total energy: -60.984734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.984734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.984734 (E_RNA)
where:
Base-Base interactions energy: -14.999
where: short stacking energy: -14.486
Base-Backbone interact. energy: -0.340
local terms energy: -45.645659
where:
bonds (distance) C4'-P energy: -19.773
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -7.987
flat angles P-C4'-P energy: -4.897
tors. eta vs tors. theta energy: 6.796
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: 9
=====================================
Write number: 174
Temperature: 2.433333
Total energy: -54.935951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.935951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.935951 (E_RNA)
where:
Base-Base interactions energy: -22.491
where: short stacking energy: -23.981
Base-Backbone interact. energy: -0.000
local terms energy: -32.444997
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -8.353
flat angles P-C4'-P energy: -5.682
tors. eta vs tors. theta energy: 12.816
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: 6
=====================================
Write number: 174
Temperature: 2.816667
Total energy: -46.453024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.453024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.453024 (E_RNA)
where:
Base-Base interactions energy: -9.947
where: short stacking energy: -9.947
Base-Backbone interact. energy: -1.005
local terms energy: -35.500396
where:
bonds (distance) C4'-P energy: -20.435
bonds (distance) P-C4' energy: -24.987
flat angles C4'-P-C4' energy: -2.403
flat angles P-C4'-P energy: 0.542
tors. eta vs tors. theta energy: 11.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 3.200000
Total energy: -36.473741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.473741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.473741 (E_RNA)
where:
Base-Base interactions energy: -4.707
where: short stacking energy: -2.429
Base-Backbone interact. energy: 0.125
local terms energy: -31.891501
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -1.334
flat angles P-C4'-P energy: -2.629
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: 8, replica: 4
=====================================
Write number: 174
Temperature: 3.583333
Total energy: -23.476616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.476616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.476616 (E_RNA)
where:
Base-Base interactions energy: -8.592
where: short stacking energy: -8.992
Base-Backbone interact. energy: 4.656
local terms energy: -19.540784
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -1.905
flat angles P-C4'-P energy: 0.606
tors. eta vs tors. theta energy: 11.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 174
Temperature: 3.966667
Total energy: -23.008703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.008703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.008703 (E_RNA)
where:
Base-Base interactions energy: -1.728
where: short stacking energy: -3.384
Base-Backbone interact. energy: 0.964
local terms energy: -22.244962
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -1.030
flat angles P-C4'-P energy: -2.113
tors. eta vs tors. theta energy: 12.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 174
Temperature: 4.350000
Total energy: -2.268353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.268353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.268353 (E_RNA)
where:
Base-Base interactions energy: -4.305
where: short stacking energy: -2.228
Base-Backbone interact. energy: 0.568
local terms energy: 1.468156
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -2.961
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: 16.435
tors. eta vs tors. theta energy: 15.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -381.411660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.411660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.411660 (E_RNA)
where:
Base-Base interactions energy: -261.964
where: short stacking energy: -123.281
Base-Backbone interact. energy: -0.078
local terms energy: -119.369462
where:
bonds (distance) C4'-P energy: -25.816
bonds (distance) P-C4' energy: -22.913
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -15.999
tors. eta vs tors. theta energy: -36.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 175
Temperature: 1.283333
Total energy: -206.329486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.329486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.329486 (E_RNA)
where:
Base-Base interactions energy: -124.466
where: short stacking energy: -74.206
Base-Backbone interact. energy: 2.304
local terms energy: -84.167283
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -19.544
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -19.004
tors. eta vs tors. theta energy: -12.889
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: 3, replica: 8
=====================================
Write number: 175
Temperature: 1.666667
Total energy: -96.991767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.991767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.991767 (E_RNA)
where:
Base-Base interactions energy: -42.566
where: short stacking energy: -32.857
Base-Backbone interact. energy: 0.927
local terms energy: -55.352397
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -21.957
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 175
Temperature: 2.050000
Total energy: -73.444792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.444792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.444792 (E_RNA)
where:
Base-Base interactions energy: -30.602
where: short stacking energy: -24.511
Base-Backbone interact. energy: 1.353
local terms energy: -44.195566
where:
bonds (distance) C4'-P energy: -20.153
bonds (distance) P-C4' energy: -15.897
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -0.593
tors. eta vs tors. theta energy: 4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 175
Temperature: 2.433333
Total energy: -51.624646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.624646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.624646 (E_RNA)
where:
Base-Base interactions energy: -9.572
where: short stacking energy: -7.740
Base-Backbone interact. energy: -0.442
local terms energy: -41.610433
where:
bonds (distance) C4'-P energy: -0.647
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -18.257
tors. eta vs tors. theta energy: 11.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 175
Temperature: 2.816667
Total energy: -35.336773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.336773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.336773 (E_RNA)
where:
Base-Base interactions energy: -5.512
where: short stacking energy: -4.048
Base-Backbone interact. energy: -0.201
local terms energy: -29.623551
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -25.323
flat angles C4'-P-C4' energy: -8.110
flat angles P-C4'-P energy: 9.823
tors. eta vs tors. theta energy: 8.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 175
Temperature: 3.200000
Total energy: -27.835670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.835670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.835670 (E_RNA)
where:
Base-Base interactions energy: -12.042
where: short stacking energy: -9.320
Base-Backbone interact. energy: 3.368
local terms energy: -19.161801
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -8.951
flat angles C4'-P-C4' energy: -6.394
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: 17.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 175
Temperature: 3.583333
Total energy: -16.040961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.040961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.040961 (E_RNA)
where:
Base-Base interactions energy: -9.290
where: short stacking energy: -7.858
Base-Backbone interact. energy: -0.052
local terms energy: -6.699243
where:
bonds (distance) C4'-P energy: -5.690
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -3.092
flat angles P-C4'-P energy: 0.108
tors. eta vs tors. theta energy: 12.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 175
Temperature: 3.966667
Total energy: -8.172767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.172767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.172767 (E_RNA)
where:
Base-Base interactions energy: -4.300
where: short stacking energy: -3.863
Base-Backbone interact. energy: 3.558
local terms energy: -7.431078
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: 1.288
flat angles P-C4'-P energy: 7.401
tors. eta vs tors. theta energy: 14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 175
Temperature: 4.350000
Total energy: 1.624973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.624973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.624973 (E_RNA)
where:
Base-Base interactions energy: -0.523
where: short stacking energy: 0.000
Base-Backbone interact. energy: -1.934
local terms energy: 4.082651
where:
bonds (distance) C4'-P energy: -3.084
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: 5.539
flat angles P-C4'-P energy: -4.688
tors. eta vs tors. theta energy: 18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -387.236427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.236427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.236427 (E_RNA)
where:
Base-Base interactions energy: -263.756
where: short stacking energy: -122.000
Base-Backbone interact. energy: -0.577
local terms energy: -122.903572
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -29.073
flat angles C4'-P-C4' energy: -27.564
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -31.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 176
Temperature: 1.283333
Total energy: -198.540258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.540258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.540258 (E_RNA)
where:
Base-Base interactions energy: -104.960
where: short stacking energy: -64.366
Base-Backbone interact. energy: -0.548
local terms energy: -93.031786
where:
bonds (distance) C4'-P energy: -18.907
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -25.309
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -17.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 176
Temperature: 1.666667
Total energy: -78.855686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.855686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.855686 (E_RNA)
where:
Base-Base interactions energy: -13.418
where: short stacking energy: -13.684
Base-Backbone interact. energy: 1.104
local terms energy: -66.541938
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: 0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 176
Temperature: 2.050000
Total energy: -67.264229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.264229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.264229 (E_RNA)
where:
Base-Base interactions energy: -14.623
where: short stacking energy: -12.094
Base-Backbone interact. energy: -1.164
local terms energy: -51.477140
where:
bonds (distance) C4'-P energy: -21.735
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -0.098
tors. eta vs tors. theta energy: 5.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 176
Temperature: 2.433333
Total energy: -41.911594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.911594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.911594 (E_RNA)
where:
Base-Base interactions energy: -3.779
where: short stacking energy: -2.442
Base-Backbone interact. energy: 2.585
local terms energy: -40.717066
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: 12.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 176
Temperature: 2.816667
Total energy: -32.100215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.100215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.100215 (E_RNA)
where:
Base-Base interactions energy: -9.326
where: short stacking energy: -7.195
Base-Backbone interact. energy: 7.009
local terms energy: -29.783086
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -3.163
tors. eta vs tors. theta energy: 13.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 176
Temperature: 3.200000
Total energy: -21.292476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.292476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.292476 (E_RNA)
where:
Base-Base interactions energy: -7.651
where: short stacking energy: -5.875
Base-Backbone interact. energy: -0.506
local terms energy: -13.135100
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -17.810
flat angles C4'-P-C4' energy: -5.223
flat angles P-C4'-P energy: 5.025
tors. eta vs tors. theta energy: 16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 176
Temperature: 3.583333
Total energy: -17.983214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.983214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.983214 (E_RNA)
where:
Base-Base interactions energy: -10.438
where: short stacking energy: -3.409
Base-Backbone interact. energy: 1.316
local terms energy: -8.860674
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: 5.104
flat angles P-C4'-P energy: 1.226
tors. eta vs tors. theta energy: 17.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 176
Temperature: 3.966667
Total energy: -8.659951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.659951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.659951 (E_RNA)
where:
Base-Base interactions energy: -2.130
where: short stacking energy: -0.577
Base-Backbone interact. energy: 6.521
local terms energy: -13.050264
where:
bonds (distance) C4'-P energy: -6.145
bonds (distance) P-C4' energy: -1.853
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: 12.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 176
Temperature: 4.350000
Total energy: -17.643201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.643201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.643201 (E_RNA)
where:
Base-Base interactions energy: -2.798
where: short stacking energy: -1.322
Base-Backbone interact. energy: 5.642
local terms energy: -20.486444
where:
bonds (distance) C4'-P energy: -21.379
bonds (distance) P-C4' energy: -8.077
flat angles C4'-P-C4' energy: -4.635
flat angles P-C4'-P energy: -2.709
tors. eta vs tors. theta energy: 16.313
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: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -386.922183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.922183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.922183 (E_RNA)
where:
Base-Base interactions energy: -253.493
where: short stacking energy: -110.385
Base-Backbone interact. energy: -0.354
local terms energy: -133.074559
where:
bonds (distance) C4'-P energy: -25.293
bonds (distance) P-C4' energy: -27.593
flat angles C4'-P-C4' energy: -27.375
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -36.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 1.283333
Total energy: -218.663512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.663512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.663512 (E_RNA)
where:
Base-Base interactions energy: -128.037
where: short stacking energy: -70.075
Base-Backbone interact. energy: 5.819
local terms energy: -96.444706
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -27.286
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 177
Temperature: 1.666667
Total energy: -102.227202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.227202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.227202 (E_RNA)
where:
Base-Base interactions energy: -49.847
where: short stacking energy: -23.952
Base-Backbone interact. energy: -0.587
local terms energy: -51.792913
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -1.799
tors. eta vs tors. theta energy: 3.912
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: 9
=====================================
Write number: 177
Temperature: 2.050000
Total energy: -77.467566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.467566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.467566 (E_RNA)
where:
Base-Base interactions energy: -24.059
where: short stacking energy: -22.034
Base-Backbone interact. energy: -0.324
local terms energy: -53.084393
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -22.406
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: 3.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 177
Temperature: 2.433333
Total energy: -54.713910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.713910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.713910 (E_RNA)
where:
Base-Base interactions energy: -20.913
where: short stacking energy: -19.735
Base-Backbone interact. energy: 0.068
local terms energy: -33.868704
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -1.144
tors. eta vs tors. theta energy: 8.052
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: 3
=====================================
Write number: 177
Temperature: 2.816667
Total energy: -34.228245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.228245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.228245 (E_RNA)
where:
Base-Base interactions energy: -3.880
where: short stacking energy: -3.049
Base-Backbone interact. energy: -1.233
local terms energy: -29.115043
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -8.692
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: 12.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 177
Temperature: 3.200000
Total energy: -33.671017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.671017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.671017 (E_RNA)
where:
Base-Base interactions energy: -2.678
where: short stacking energy: -1.427
Base-Backbone interact. energy: 4.449
local terms energy: -35.442194
where:
bonds (distance) C4'-P energy: -22.885
bonds (distance) P-C4' energy: -19.937
flat angles C4'-P-C4' energy: -5.406
flat angles P-C4'-P energy: -1.049
tors. eta vs tors. theta energy: 13.835
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: 8, replica: 4
=====================================
Write number: 177
Temperature: 3.583333
Total energy: -18.738883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.738883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.738883 (E_RNA)
where:
Base-Base interactions energy: -7.541
where: short stacking energy: -3.375
Base-Backbone interact. energy: 2.279
local terms energy: -13.476704
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -7.191
flat angles P-C4'-P energy: 10.241
tors. eta vs tors. theta energy: 16.215
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: 7
=====================================
Write number: 177
Temperature: 3.966667
Total energy: -10.338265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.338265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.338265 (E_RNA)
where:
Base-Base interactions energy: -2.047
where: short stacking energy: -1.885
Base-Backbone interact. energy: 0.935
local terms energy: -9.225537
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: 0.052
flat angles P-C4'-P energy: 2.763
tors. eta vs tors. theta energy: 16.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 177
Temperature: 4.350000
Total energy: -5.124450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.124450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.124450 (E_RNA)
where:
Base-Base interactions energy: 0.800
where: short stacking energy: 0.200
Base-Backbone interact. energy: -1.108
local terms energy: -4.816927
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -8.367
flat angles C4'-P-C4' energy: 6.281
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: 18.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -383.580675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.580675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.580675 (E_RNA)
where:
Base-Base interactions energy: -254.642
where: short stacking energy: -115.037
Base-Backbone interact. energy: -0.276
local terms energy: -128.661978
where:
bonds (distance) C4'-P energy: -26.637
bonds (distance) P-C4' energy: -26.480
flat angles C4'-P-C4' energy: -29.143
flat angles P-C4'-P energy: -16.941
tors. eta vs tors. theta energy: -29.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 178
Temperature: 1.283333
Total energy: -195.007488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.007488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.007488 (E_RNA)
where:
Base-Base interactions energy: -100.727
where: short stacking energy: -62.703
Base-Backbone interact. energy: -0.378
local terms energy: -93.902284
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -27.041
flat angles C4'-P-C4' energy: -25.167
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -13.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 178
Temperature: 1.666667
Total energy: -109.653374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.653374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.653374 (E_RNA)
where:
Base-Base interactions energy: -51.095
where: short stacking energy: -25.264
Base-Backbone interact. energy: -0.564
local terms energy: -57.994468
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -22.642
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: 10.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 2.050000
Total energy: -62.693599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.693599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.693599 (E_RNA)
where:
Base-Base interactions energy: -20.092
where: short stacking energy: -14.283
Base-Backbone interact. energy: 0.728
local terms energy: -43.329708
where:
bonds (distance) C4'-P energy: -19.830
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -4.682
tors. eta vs tors. theta energy: 9.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 178
Temperature: 2.433333
Total energy: -48.142797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.142797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.142797 (E_RNA)
where:
Base-Base interactions energy: -7.562
where: short stacking energy: -6.727
Base-Backbone interact. energy: 2.742
local terms energy: -43.322506
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: 12.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 178
Temperature: 2.816667
Total energy: -39.492103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.492103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.492103 (E_RNA)
where:
Base-Base interactions energy: -7.738
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.297
local terms energy: -31.457560
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -3.444
tors. eta vs tors. theta energy: 17.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 178
Temperature: 3.200000
Total energy: -28.622539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.622539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.622539 (E_RNA)
where:
Base-Base interactions energy: -9.463
where: short stacking energy: -3.550
Base-Backbone interact. energy: 1.385
local terms energy: -20.544195
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -0.996
flat angles P-C4'-P energy: 4.133
tors. eta vs tors. theta energy: 16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 178
Temperature: 3.583333
Total energy: -18.250106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.250106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.250106 (E_RNA)
where:
Base-Base interactions energy: -8.029
where: short stacking energy: -3.257
Base-Backbone interact. energy: -0.183
local terms energy: -10.037551
where:
bonds (distance) C4'-P energy: -7.927
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: 1.678
flat angles P-C4'-P energy: 0.162
tors. eta vs tors. theta energy: 16.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 178
Temperature: 3.966667
Total energy: -4.905104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.905104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.905104 (E_RNA)
where:
Base-Base interactions energy: 0.564
where: short stacking energy: 1.059
Base-Backbone interact. energy: 7.860
local terms energy: -13.328937
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -8.681
flat angles C4'-P-C4' energy: -10.086
flat angles P-C4'-P energy: -0.791
tors. eta vs tors. theta energy: 18.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 178
Temperature: 4.350000
Total energy: -24.175844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.175844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.175844 (E_RNA)
where:
Base-Base interactions energy: -9.374
where: short stacking energy: -6.683
Base-Backbone interact. energy: -0.318
local terms energy: -14.483950
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -8.059
flat angles C4'-P-C4' energy: 1.406
flat angles P-C4'-P energy: -4.057
tors. eta vs tors. theta energy: 6.287
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: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -385.580610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.580610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.580610 (E_RNA)
where:
Base-Base interactions energy: -252.478
where: short stacking energy: -107.663
Base-Backbone interact. energy: -0.335
local terms energy: -132.767441
where:
bonds (distance) C4'-P energy: -25.829
bonds (distance) P-C4' energy: -28.488
flat angles C4'-P-C4' energy: -27.735
flat angles P-C4'-P energy: -19.536
tors. eta vs tors. theta energy: -31.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 179
Temperature: 1.283333
Total energy: -186.153902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.153902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.153902 (E_RNA)
where:
Base-Base interactions energy: -111.072
where: short stacking energy: -56.027
Base-Backbone interact. energy: -0.469
local terms energy: -74.613777
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -27.996
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -3.649
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: 8
=====================================
Write number: 179
Temperature: 1.666667
Total energy: -88.191075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.191075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.191075 (E_RNA)
where:
Base-Base interactions energy: -35.978
where: short stacking energy: -25.153
Base-Backbone interact. energy: -0.882
local terms energy: -51.331239
where:
bonds (distance) C4'-P energy: -21.298
bonds (distance) P-C4' energy: -20.258
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: 6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 179
Temperature: 2.050000
Total energy: -62.733869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.733869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.733869 (E_RNA)
where:
Base-Base interactions energy: -21.122
where: short stacking energy: -17.864
Base-Backbone interact. energy: 1.146
local terms energy: -42.758050
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -8.891
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: 6.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 179
Temperature: 2.433333
Total energy: -44.783498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.783498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.783498 (E_RNA)
where:
Base-Base interactions energy: -8.349
where: short stacking energy: -8.280
Base-Backbone interact. energy: 1.337
local terms energy: -37.771652
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -3.483
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: 7.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 179
Temperature: 2.816667
Total energy: -31.605583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.605583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.605583 (E_RNA)
where:
Base-Base interactions energy: -11.877
where: short stacking energy: -5.023
Base-Backbone interact. energy: 0.514
local terms energy: -20.242438
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -8.882
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -0.715
tors. eta vs tors. theta energy: 20.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 179
Temperature: 3.200000
Total energy: -21.269047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.269047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.269047 (E_RNA)
where:
Base-Base interactions energy: -9.938
where: short stacking energy: -9.108
Base-Backbone interact. energy: 7.484
local terms energy: -18.815160
where:
bonds (distance) C4'-P energy: -20.032
bonds (distance) P-C4' energy: -2.319
flat angles C4'-P-C4' energy: -8.043
flat angles P-C4'-P energy: -2.984
tors. eta vs tors. theta energy: 14.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 179
Temperature: 3.583333
Total energy: -13.416062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.416062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.416062 (E_RNA)
where:
Base-Base interactions energy: -2.014
where: short stacking energy: -1.683
Base-Backbone interact. energy: 7.191
local terms energy: -18.593608
where:
bonds (distance) C4'-P energy: -22.028
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -5.122
flat angles P-C4'-P energy: 5.756
tors. eta vs tors. theta energy: 14.103
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: 9, replica: 6
=====================================
Write number: 179
Temperature: 3.966667
Total energy: -10.076363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.076363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.076363 (E_RNA)
where:
Base-Base interactions energy: -7.661
where: short stacking energy: -2.779
Base-Backbone interact. energy: 1.797
local terms energy: -4.212718
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: 4.586
flat angles P-C4'-P energy: 1.429
tors. eta vs tors. theta energy: 21.343
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: 7
=====================================
Write number: 179
Temperature: 4.350000
Total energy: -7.718309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.718309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.718309 (E_RNA)
where:
Base-Base interactions energy: 1.635
where: short stacking energy: 0.939
Base-Backbone interact. energy: 3.032
local terms energy: -12.385994
where:
bonds (distance) C4'-P energy: -6.823
bonds (distance) P-C4' energy: -17.186
flat angles C4'-P-C4' energy: 5.173
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: 13.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -384.164948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.164948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.164948 (E_RNA)
where:
Base-Base interactions energy: -255.358
where: short stacking energy: -124.133
Base-Backbone interact. energy: -0.681
local terms energy: -128.125972
where:
bonds (distance) C4'-P energy: -28.855
bonds (distance) P-C4' energy: -23.392
flat angles C4'-P-C4' energy: -28.991
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -34.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 180
Temperature: 1.283333
Total energy: -195.723765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.723765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.723765 (E_RNA)
where:
Base-Base interactions energy: -110.220
where: short stacking energy: -52.308
Base-Backbone interact. energy: 0.286
local terms energy: -85.790088
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -22.181
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 180
Temperature: 1.666667
Total energy: -85.596163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.596163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.596163 (E_RNA)
where:
Base-Base interactions energy: -20.130
where: short stacking energy: -19.210
Base-Backbone interact. energy: -0.222
local terms energy: -65.243406
where:
bonds (distance) C4'-P energy: -25.383
bonds (distance) P-C4' energy: -25.856
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: 9.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 180
Temperature: 2.050000
Total energy: -56.076075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.076075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.076075 (E_RNA)
where:
Base-Base interactions energy: -21.632
where: short stacking energy: -22.532
Base-Backbone interact. energy: 1.845
local terms energy: -36.289380
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -2.064
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: 3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 180
Temperature: 2.433333
Total energy: -47.106253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.106253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.106253 (E_RNA)
where:
Base-Base interactions energy: -11.315
where: short stacking energy: -3.090
Base-Backbone interact. energy: 0.803
local terms energy: -36.594804
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -9.383
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: 11.821
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: 3
=====================================
Write number: 180
Temperature: 2.816667
Total energy: -32.879866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.879866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.879866 (E_RNA)
where:
Base-Base interactions energy: -19.409
where: short stacking energy: -5.646
Base-Backbone interact. energy: 1.652
local terms energy: -15.123411
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: 11.752
tors. eta vs tors. theta energy: 14.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 180
Temperature: 3.200000
Total energy: -23.458054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.458054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.458054 (E_RNA)
where:
Base-Base interactions energy: -9.765
where: short stacking energy: -5.598
Base-Backbone interact. energy: -0.645
local terms energy: -13.048412
where:
bonds (distance) C4'-P energy: -5.323
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: 0.283
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: 12.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 180
Temperature: 3.583333
Total energy: -11.451599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.451599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.451599 (E_RNA)
where:
Base-Base interactions energy: -9.630
where: short stacking energy: -10.530
Base-Backbone interact. energy: 3.363
local terms energy: -5.184282
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -8.933
flat angles C4'-P-C4' energy: -0.806
flat angles P-C4'-P energy: 1.481
tors. eta vs tors. theta energy: 17.283
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: 7
=====================================
Write number: 180
Temperature: 3.966667
Total energy: -3.569683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.569683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.569683 (E_RNA)
where:
Base-Base interactions energy: -5.174
where: short stacking energy: -4.641
Base-Backbone interact. energy: 8.380
local terms energy: -6.776101
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: 7.151
flat angles P-C4'-P energy: -4.419
tors. eta vs tors. theta energy: 13.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 180
Temperature: 4.350000
Total energy: -7.647061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.647061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.647061 (E_RNA)
where:
Base-Base interactions energy: -5.816
where: short stacking energy: -6.028
Base-Backbone interact. energy: 1.019
local terms energy: -2.849874
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: 5.934
flat angles P-C4'-P energy: -4.474
tors. eta vs tors. theta energy: 20.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -384.871117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.871117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.871117 (E_RNA)
where:
Base-Base interactions energy: -261.178
where: short stacking energy: -114.951
Base-Backbone interact. energy: -0.484
local terms energy: -123.209275
where:
bonds (distance) C4'-P energy: -28.864
bonds (distance) P-C4' energy: -21.420
flat angles C4'-P-C4' energy: -25.527
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -34.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 181
Temperature: 1.283333
Total energy: -184.234614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.234614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.234614 (E_RNA)
where:
Base-Base interactions energy: -97.212
where: short stacking energy: -52.645
Base-Backbone interact. energy: 1.304
local terms energy: -88.325972
where:
bonds (distance) C4'-P energy: -22.579
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -17.947
tors. eta vs tors. theta energy: -6.581
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: 8
=====================================
Write number: 181
Temperature: 1.666667
Total energy: -83.313913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.313913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.313913 (E_RNA)
where:
Base-Base interactions energy: -19.101
where: short stacking energy: -16.957
Base-Backbone interact. energy: -0.369
local terms energy: -63.844056
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -19.779
flat angles C4'-P-C4' energy: -23.269
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: 9.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 181
Temperature: 2.050000
Total energy: -58.418418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.418418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.418418 (E_RNA)
where:
Base-Base interactions energy: -11.115
where: short stacking energy: -4.093
Base-Backbone interact. energy: 0.204
local terms energy: -47.507123
where:
bonds (distance) C4'-P energy: -22.267
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -5.033
tors. eta vs tors. theta energy: 15.788
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: 5, replica: 10
=====================================
Write number: 181
Temperature: 2.433333
Total energy: -44.811656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.811656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.811656 (E_RNA)
where:
Base-Base interactions energy: -9.825
where: short stacking energy: -8.685
Base-Backbone interact. energy: -0.269
local terms energy: -34.717706
where:
bonds (distance) C4'-P energy: -22.142
bonds (distance) P-C4' energy: -9.029
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -0.447
tors. eta vs tors. theta energy: 10.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 181
Temperature: 2.816667
Total energy: -29.457959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.457959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.457959 (E_RNA)
where:
Base-Base interactions energy: -5.404
where: short stacking energy: -1.898
Base-Backbone interact. energy: -0.422
local terms energy: -23.631441
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -2.970
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: 12.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 181
Temperature: 3.200000
Total energy: -25.453155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.453155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.453155 (E_RNA)
where:
Base-Base interactions energy: -8.951
where: short stacking energy: -6.702
Base-Backbone interact. energy: -0.384
local terms energy: -16.117960
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -4.359
flat angles P-C4'-P energy: 1.770
tors. eta vs tors. theta energy: 17.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 181
Temperature: 3.583333
Total energy: -20.928965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.928965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.928965 (E_RNA)
where:
Base-Base interactions energy: -5.341
where: short stacking energy: -2.784
Base-Backbone interact. energy: 1.398
local terms energy: -16.986563
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -0.465
flat angles P-C4'-P energy: -3.143
tors. eta vs tors. theta energy: 20.934
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: 4
=====================================
Write number: 181
Temperature: 3.966667
Total energy: -8.404968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.404968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.404968 (E_RNA)
where:
Base-Base interactions energy: -11.881
where: short stacking energy: -9.083
Base-Backbone interact. energy: -0.943
local terms energy: 4.419408
where:
bonds (distance) C4'-P energy: -8.185
bonds (distance) P-C4' energy: -7.122
flat angles C4'-P-C4' energy: 4.104
flat angles P-C4'-P energy: -3.502
tors. eta vs tors. theta energy: 19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 181
Temperature: 4.350000
Total energy: -5.290254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.290254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.290254 (E_RNA)
where:
Base-Base interactions energy: -12.306
where: short stacking energy: -11.023
Base-Backbone interact. energy: 0.541
local terms energy: 6.474841
where:
bonds (distance) C4'-P energy: -2.445
bonds (distance) P-C4' energy: -18.736
flat angles C4'-P-C4' energy: -1.733
flat angles P-C4'-P energy: 16.141
tors. eta vs tors. theta energy: 13.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -390.517812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.517812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.517812 (E_RNA)
where:
Base-Base interactions energy: -255.583
where: short stacking energy: -117.518
Base-Backbone interact. energy: -0.295
local terms energy: -134.639854
where:
bonds (distance) C4'-P energy: -27.563
bonds (distance) P-C4' energy: -29.983
flat angles C4'-P-C4' energy: -24.433
flat angles P-C4'-P energy: -19.047
tors. eta vs tors. theta energy: -33.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 182
Temperature: 1.283333
Total energy: -190.098061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.098061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.098061 (E_RNA)
where:
Base-Base interactions energy: -94.048
where: short stacking energy: -53.519
Base-Backbone interact. energy: 0.435
local terms energy: -96.485678
where:
bonds (distance) C4'-P energy: -23.504
bonds (distance) P-C4' energy: -26.411
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -16.709
tors. eta vs tors. theta energy: -7.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 182
Temperature: 1.666667
Total energy: -85.345588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.345588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.345588 (E_RNA)
where:
Base-Base interactions energy: -28.056
where: short stacking energy: -26.284
Base-Backbone interact. energy: -0.889
local terms energy: -56.400901
where:
bonds (distance) C4'-P energy: -21.726
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -4.596
tors. eta vs tors. theta energy: 5.794
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: 4, replica: 9
=====================================
Write number: 182
Temperature: 2.050000
Total energy: -58.211329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.211329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.211329 (E_RNA)
where:
Base-Base interactions energy: -19.217
where: short stacking energy: -18.964
Base-Backbone interact. energy: 3.512
local terms energy: -42.506347
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -4.009
tors. eta vs tors. theta energy: 10.640
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: 182
Temperature: 2.433333
Total energy: -45.471826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.471826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.471826 (E_RNA)
where:
Base-Base interactions energy: -8.068
where: short stacking energy: -6.080
Base-Backbone interact. energy: 0.855
local terms energy: -38.258660
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -2.625
tors. eta vs tors. theta energy: 10.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 2.816667
Total energy: -43.140729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.140729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.140729 (E_RNA)
where:
Base-Base interactions energy: -7.387
where: short stacking energy: -4.584
Base-Backbone interact. energy: -0.366
local terms energy: -35.386844
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -3.417
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: 4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 182
Temperature: 3.200000
Total energy: -30.197641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.197641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.197641 (E_RNA)
where:
Base-Base interactions energy: -12.009
where: short stacking energy: -7.955
Base-Backbone interact. energy: -0.382
local terms energy: -17.806761
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -5.956
flat angles P-C4'-P energy: -0.939
tors. eta vs tors. theta energy: 16.183
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: 3
=====================================
Write number: 182
Temperature: 3.583333
Total energy: -16.419365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.419365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.419365 (E_RNA)
where:
Base-Base interactions energy: -7.112
where: short stacking energy: -4.532
Base-Backbone interact. energy: 1.437
local terms energy: -10.744340
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: 4.382
flat angles P-C4'-P energy: -1.017
tors. eta vs tors. theta energy: 13.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 182
Temperature: 3.966667
Total energy: -10.272303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.272303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.272303 (E_RNA)
where:
Base-Base interactions energy: -2.835
where: short stacking energy: -2.936
Base-Backbone interact. energy: 2.975
local terms energy: -10.412187
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: 1.875
flat angles P-C4'-P energy: 2.482
tors. eta vs tors. theta energy: 15.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 182
Temperature: 4.350000
Total energy: -4.321078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.321078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.321078 (E_RNA)
where:
Base-Base interactions energy: -4.572
where: short stacking energy: -3.335
Base-Backbone interact. energy: -0.310
local terms energy: 0.560692
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -15.668
flat angles C4'-P-C4' energy: 5.384
flat angles P-C4'-P energy: 5.795
tors. eta vs tors. theta energy: 17.619
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: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -383.601693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.601693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.601693 (E_RNA)
where:
Base-Base interactions energy: -259.223
where: short stacking energy: -119.792
Base-Backbone interact. energy: -0.612
local terms energy: -123.766852
where:
bonds (distance) C4'-P energy: -22.894
bonds (distance) P-C4' energy: -26.212
flat angles C4'-P-C4' energy: -22.099
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -37.594
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: 2
=====================================
Write number: 183
Temperature: 1.283333
Total energy: -191.963038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.963038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.963038 (E_RNA)
where:
Base-Base interactions energy: -111.039
where: short stacking energy: -61.355
Base-Backbone interact. energy: -1.407
local terms energy: -79.517225
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -26.612
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -16.026
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.666667
Total energy: -96.017123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.017123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.017123 (E_RNA)
where:
Base-Base interactions energy: -28.553
where: short stacking energy: -29.353
Base-Backbone interact. energy: -0.268
local terms energy: -67.195843
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: 5.049
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: 4, replica: 9
=====================================
Write number: 183
Temperature: 2.050000
Total energy: -63.950179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.950179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.950179 (E_RNA)
where:
Base-Base interactions energy: -13.486
where: short stacking energy: -6.434
Base-Backbone interact. energy: -0.072
local terms energy: -50.392576
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -20.059
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: 11.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 183
Temperature: 2.433333
Total energy: -49.346780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.346780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.346780 (E_RNA)
where:
Base-Base interactions energy: -5.925
where: short stacking energy: -4.738
Base-Backbone interact. energy: -0.821
local terms energy: -42.600553
where:
bonds (distance) C4'-P energy: -22.367
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -5.699
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: 12.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 183
Temperature: 2.816667
Total energy: -35.487067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.487067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.487067 (E_RNA)
where:
Base-Base interactions energy: -12.896
where: short stacking energy: -12.532
Base-Backbone interact. energy: 1.880
local terms energy: -24.471010
where:
bonds (distance) C4'-P energy: -20.580
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -7.237
flat angles P-C4'-P energy: 1.604
tors. eta vs tors. theta energy: 15.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 183
Temperature: 3.200000
Total energy: -37.328975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.328975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.328975 (E_RNA)
where:
Base-Base interactions energy: -9.112
where: short stacking energy: -9.112
Base-Backbone interact. energy: 1.922
local terms energy: -30.138385
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -7.722
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: 17.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 3.583333
Total energy: -19.237266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.237266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.237266 (E_RNA)
where:
Base-Base interactions energy: -4.480
where: short stacking energy: -3.700
Base-Backbone interact. energy: 0.259
local terms energy: -15.016271
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -3.211
flat angles P-C4'-P energy: 2.530
tors. eta vs tors. theta energy: 17.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 183
Temperature: 3.966667
Total energy: -27.854379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.854379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.854379 (E_RNA)
where:
Base-Base interactions energy: -4.048
where: short stacking energy: -4.048
Base-Backbone interact. energy: 1.309
local terms energy: -25.114965
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -7.687
flat angles P-C4'-P energy: -2.156
tors. eta vs tors. theta energy: 9.025
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: 4
=====================================
Write number: 183
Temperature: 4.350000
Total energy: -4.444706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.444706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.444706 (E_RNA)
where:
Base-Base interactions energy: -3.984
where: short stacking energy: -3.984
Base-Backbone interact. energy: 2.004
local terms energy: -2.465459
where:
bonds (distance) C4'-P energy: -6.267
bonds (distance) P-C4' energy: -9.242
flat angles C4'-P-C4' energy: -9.164
flat angles P-C4'-P energy: 1.264
tors. eta vs tors. theta energy: 20.944
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: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -385.957456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.957456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.957456 (E_RNA)
where:
Base-Base interactions energy: -255.273
where: short stacking energy: -120.580
Base-Backbone interact. energy: -0.404
local terms energy: -130.279893
where:
bonds (distance) C4'-P energy: -24.549
bonds (distance) P-C4' energy: -24.054
flat angles C4'-P-C4' energy: -25.933
flat angles P-C4'-P energy: -18.014
tors. eta vs tors. theta energy: -37.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 1.283333
Total energy: -188.812550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.812550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.812550 (E_RNA)
where:
Base-Base interactions energy: -116.842
where: short stacking energy: -62.851
Base-Backbone interact. energy: -0.448
local terms energy: -71.522894
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -26.825
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -10.288
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: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.666667
Total energy: -88.412687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.412687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.412687 (E_RNA)
where:
Base-Base interactions energy: -23.095
where: short stacking energy: -22.325
Base-Backbone interact. energy: -0.393
local terms energy: -64.924719
where:
bonds (distance) C4'-P energy: -21.379
bonds (distance) P-C4' energy: -21.252
flat angles C4'-P-C4' energy: -21.287
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: 7.459
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: 4, replica: 9
=====================================
Write number: 184
Temperature: 2.050000
Total energy: -55.801510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.801510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.801510 (E_RNA)
where:
Base-Base interactions energy: -8.330
where: short stacking energy: -6.120
Base-Backbone interact. energy: -0.210
local terms energy: -47.261374
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -23.855
flat angles C4'-P-C4' energy: -7.954
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: 8.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 184
Temperature: 2.433333
Total energy: -52.226818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.226818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.226818 (E_RNA)
where:
Base-Base interactions energy: -18.918
where: short stacking energy: -16.028
Base-Backbone interact. energy: 2.639
local terms energy: -35.948218
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -3.019
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: 8.242
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: 5
=====================================
Write number: 184
Temperature: 2.816667
Total energy: -34.255247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.255247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.255247 (E_RNA)
where:
Base-Base interactions energy: -5.095
where: short stacking energy: -4.960
Base-Backbone interact. energy: 1.826
local terms energy: -30.986020
where:
bonds (distance) C4'-P energy: -21.361
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: 0.392
tors. eta vs tors. theta energy: 13.820
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: 7, replica: 6
=====================================
Write number: 184
Temperature: 3.200000
Total energy: -30.218495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.218495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.218495 (E_RNA)
where:
Base-Base interactions energy: -7.248
where: short stacking energy: -7.248
Base-Backbone interact. energy: 1.880
local terms energy: -24.850658
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -1.432
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: 19.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 184
Temperature: 3.583333
Total energy: -14.123459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.123459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.123459 (E_RNA)
where:
Base-Base interactions energy: -4.082
where: short stacking energy: -3.038
Base-Backbone interact. energy: -0.413
local terms energy: -9.628337
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -10.039
flat angles P-C4'-P energy: 4.209
tors. eta vs tors. theta energy: 17.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 184
Temperature: 3.966667
Total energy: -4.918197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.918197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.918197 (E_RNA)
where:
Base-Base interactions energy: -5.698
where: short stacking energy: -1.760
Base-Backbone interact. energy: 3.546
local terms energy: -2.765920
where:
bonds (distance) C4'-P energy: -7.658
bonds (distance) P-C4' energy: -11.727
flat angles C4'-P-C4' energy: 3.275
flat angles P-C4'-P energy: 1.340
tors. eta vs tors. theta energy: 12.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 184
Temperature: 4.350000
Total energy: -1.908818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.908818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.908818 (E_RNA)
where:
Base-Base interactions energy: 0.400
where: short stacking energy: 0.000
Base-Backbone interact. energy: 3.088
local terms energy: -5.396987
where:
bonds (distance) C4'-P energy: -2.178
bonds (distance) P-C4' energy: -21.421
flat angles C4'-P-C4' energy: 1.368
flat angles P-C4'-P energy: -3.248
tors. eta vs tors. theta energy: 20.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -387.651281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.651281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.651281 (E_RNA)
where:
Base-Base interactions energy: -255.895
where: short stacking energy: -115.139
Base-Backbone interact. energy: -0.105
local terms energy: -131.651291
where:
bonds (distance) C4'-P energy: -28.038
bonds (distance) P-C4' energy: -22.625
flat angles C4'-P-C4' energy: -30.652
flat angles P-C4'-P energy: -18.374
tors. eta vs tors. theta energy: -31.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 185
Temperature: 1.283333
Total energy: -220.332951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.332951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.332951 (E_RNA)
where:
Base-Base interactions energy: -132.390
where: short stacking energy: -66.527
Base-Backbone interact. energy: -0.081
local terms energy: -87.862465
where:
bonds (distance) C4'-P energy: -22.646
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -17.923
tors. eta vs tors. theta energy: -6.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.666667
Total energy: -82.573921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.573921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.573921 (E_RNA)
where:
Base-Base interactions energy: -28.717
where: short stacking energy: -21.762
Base-Backbone interact. energy: -0.715
local terms energy: -53.142213
where:
bonds (distance) C4'-P energy: -18.123
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -7.095
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: 4.824
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: 10
=====================================
Write number: 185
Temperature: 2.050000
Total energy: -63.412289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.412289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.412289 (E_RNA)
where:
Base-Base interactions energy: -26.420
where: short stacking energy: -26.420
Base-Backbone interact. energy: -0.502
local terms energy: -36.490259
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -9.352
flat angles P-C4'-P energy: -3.539
tors. eta vs tors. theta energy: 7.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 185
Temperature: 2.433333
Total energy: -43.634979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.634979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.634979 (E_RNA)
where:
Base-Base interactions energy: -7.876
where: short stacking energy: -4.443
Base-Backbone interact. energy: -0.683
local terms energy: -35.075654
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: 12.643
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: 5
=====================================
Write number: 185
Temperature: 2.816667
Total energy: -35.567184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.567184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.567184 (E_RNA)
where:
Base-Base interactions energy: -14.770
where: short stacking energy: -12.969
Base-Backbone interact. energy: -1.046
local terms energy: -19.750947
where:
bonds (distance) C4'-P energy: 1.292
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: 12.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 185
Temperature: 3.200000
Total energy: -29.097814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.097814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.097814 (E_RNA)
where:
Base-Base interactions energy: -15.915
where: short stacking energy: -14.281
Base-Backbone interact. energy: -0.030
local terms energy: -13.152424
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -4.568
flat angles P-C4'-P energy: 8.778
tors. eta vs tors. theta energy: 8.854
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: 7
=====================================
Write number: 185
Temperature: 3.583333
Total energy: -14.158952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.158952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.158952 (E_RNA)
where:
Base-Base interactions energy: -8.880
where: short stacking energy: -4.754
Base-Backbone interact. energy: 2.945
local terms energy: -8.223967
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -0.443
flat angles P-C4'-P energy: 10.102
tors. eta vs tors. theta energy: 12.574
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: 9, replica: 3
=====================================
Write number: 185
Temperature: 3.966667
Total energy: -14.747961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.747961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.747961 (E_RNA)
where:
Base-Base interactions energy: -11.878
where: short stacking energy: -11.830
Base-Backbone interact. energy: 1.251
local terms energy: -4.120873
where:
bonds (distance) C4'-P energy: -8.725
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -0.526
flat angles P-C4'-P energy: 7.075
tors. eta vs tors. theta energy: 10.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 185
Temperature: 4.350000
Total energy: 4.290168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4.290168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 4.290168 (E_RNA)
where:
Base-Base interactions energy: -3.261
where: short stacking energy: 0.000
Base-Backbone interact. energy: 1.716
local terms energy: 5.835439
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: 5.304
flat angles C4'-P-C4' energy: 1.836
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: 22.914
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: 186
Temperature: 0.900000
Total energy: -384.294346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.294346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.294346 (E_RNA)
where:
Base-Base interactions energy: -255.340
where: short stacking energy: -117.609
Base-Backbone interact. energy: -0.314
local terms energy: -128.640658
where:
bonds (distance) C4'-P energy: -21.837
bonds (distance) P-C4' energy: -28.093
flat angles C4'-P-C4' energy: -25.901
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -36.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 186
Temperature: 1.283333
Total energy: -228.637520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.637520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.637520 (E_RNA)
where:
Base-Base interactions energy: -138.946
where: short stacking energy: -70.087
Base-Backbone interact. energy: 0.583
local terms energy: -90.275205
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -21.882
flat angles C4'-P-C4' energy: -21.456
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -11.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.666667
Total energy: -81.895167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.895167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.895167 (E_RNA)
where:
Base-Base interactions energy: -31.156
where: short stacking energy: -25.845
Base-Backbone interact. energy: -0.263
local terms energy: -50.475546
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -19.878
flat angles C4'-P-C4' energy: -7.737
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: 3.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 186
Temperature: 2.050000
Total energy: -62.369575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.369575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.369575 (E_RNA)
where:
Base-Base interactions energy: -20.010
where: short stacking energy: -19.849
Base-Backbone interact. energy: 0.361
local terms energy: -42.720141
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -17.941
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: 4.913
tors. eta vs tors. theta energy: 8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 186
Temperature: 2.433333
Total energy: -63.738952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.738952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.738952 (E_RNA)
where:
Base-Base interactions energy: -19.689
where: short stacking energy: -15.660
Base-Backbone interact. energy: -0.925
local terms energy: -43.124733
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: 11.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 186
Temperature: 2.816667
Total energy: -30.451263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.451263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.451263 (E_RNA)
where:
Base-Base interactions energy: -5.025
where: short stacking energy: -4.819
Base-Backbone interact. energy: 7.601
local terms energy: -33.026891
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -6.238
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: 9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 186
Temperature: 3.200000
Total energy: -14.233237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.233237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.233237 (E_RNA)
where:
Base-Base interactions energy: 0.087
where: short stacking energy: 0.158
Base-Backbone interact. energy: 0.192
local terms energy: -14.512061
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: 11.594
tors. eta vs tors. theta energy: 17.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 186
Temperature: 3.583333
Total energy: -12.352261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.352261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.352261 (E_RNA)
where:
Base-Base interactions energy: -3.809
where: short stacking energy: -2.384
Base-Backbone interact. energy: 9.058
local terms energy: -17.600685
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -7.829
flat angles P-C4'-P energy: -4.645
tors. eta vs tors. theta energy: 18.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 186
Temperature: 3.966667
Total energy: -8.863523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.863523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.863523 (E_RNA)
where:
Base-Base interactions energy: -8.894
where: short stacking energy: -4.623
Base-Backbone interact. energy: 4.855
local terms energy: -4.824639
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -9.705
flat angles C4'-P-C4' energy: 6.040
flat angles P-C4'-P energy: 3.828
tors. eta vs tors. theta energy: 15.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 186
Temperature: 4.350000
Total energy: -2.862851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.862851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.862851 (E_RNA)
where:
Base-Base interactions energy: -13.167
where: short stacking energy: -9.647
Base-Backbone interact. energy: 3.669
local terms energy: 6.635292
where:
bonds (distance) C4'-P energy: -6.729
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: 5.121
flat angles P-C4'-P energy: 4.742
tors. eta vs tors. theta energy: 15.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -382.034968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.034968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.034968 (E_RNA)
where:
Base-Base interactions energy: -254.268
where: short stacking energy: -124.404
Base-Backbone interact. energy: -0.234
local terms energy: -127.533568
where:
bonds (distance) C4'-P energy: -25.677
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -27.981
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -37.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 187
Temperature: 1.283333
Total energy: -200.549041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.549041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.549041 (E_RNA)
where:
Base-Base interactions energy: -107.339
where: short stacking energy: -61.755
Base-Backbone interact. energy: -0.276
local terms energy: -92.933821
where:
bonds (distance) C4'-P energy: -21.091
bonds (distance) P-C4' energy: -27.321
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -14.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 187
Temperature: 1.666667
Total energy: -83.532484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.532484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.532484 (E_RNA)
where:
Base-Base interactions energy: -25.758
where: short stacking energy: -24.056
Base-Backbone interact. energy: 1.115
local terms energy: -58.889669
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -24.817
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: 7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 187
Temperature: 2.050000
Total energy: -66.574341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.574341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.574341 (E_RNA)
where:
Base-Base interactions energy: -20.283
where: short stacking energy: -19.384
Base-Backbone interact. energy: 1.009
local terms energy: -47.300555
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: 8.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 187
Temperature: 2.433333
Total energy: -43.217624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.217624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.217624 (E_RNA)
where:
Base-Base interactions energy: -9.539
where: short stacking energy: -8.323
Base-Backbone interact. energy: -0.335
local terms energy: -33.343493
where:
bonds (distance) C4'-P energy: -9.372
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -2.931
tors. eta vs tors. theta energy: 7.961
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: 6
=====================================
Write number: 187
Temperature: 2.816667
Total energy: -33.125292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.125292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.125292 (E_RNA)
where:
Base-Base interactions energy: -2.151
where: short stacking energy: -2.151
Base-Backbone interact. energy: -0.758
local terms energy: -30.216446
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -2.556
tors. eta vs tors. theta energy: 15.018
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: 9
=====================================
Write number: 187
Temperature: 3.200000
Total energy: -30.853598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.853598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.853598 (E_RNA)
where:
Base-Base interactions energy: -2.003
where: short stacking energy: -2.213
Base-Backbone interact. energy: 0.050
local terms energy: -28.899888
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -4.852
tors. eta vs tors. theta energy: 15.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 187
Temperature: 3.583333
Total energy: -31.239121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.239121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.239121 (E_RNA)
where:
Base-Base interactions energy: -8.976
where: short stacking energy: -6.123
Base-Backbone interact. energy: -0.309
local terms energy: -21.955067
where:
bonds (distance) C4'-P energy: -22.178
bonds (distance) P-C4' energy: -7.201
flat angles C4'-P-C4' energy: -3.499
flat angles P-C4'-P energy: -2.385
tors. eta vs tors. theta energy: 13.307
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: 7
=====================================
Write number: 187
Temperature: 3.966667
Total energy: -7.593275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.593275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.593275 (E_RNA)
where:
Base-Base interactions energy: 2.691
where: short stacking energy: -0.474
Base-Backbone interact. energy: -0.349
local terms energy: -9.935085
where:
bonds (distance) C4'-P energy: -7.497
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -7.890
flat angles P-C4'-P energy: -0.201
tors. eta vs tors. theta energy: 20.331
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: 187
Temperature: 4.350000
Total energy: -3.019695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.019695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.019695 (E_RNA)
where:
Base-Base interactions energy: -3.455
where: short stacking energy: -1.738
Base-Backbone interact. energy: 1.345
local terms energy: -0.909572
where:
bonds (distance) C4'-P energy: -6.253
bonds (distance) P-C4' energy: -7.058
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: 6.372
tors. eta vs tors. theta energy: 17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -378.685586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.685586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.685586 (E_RNA)
where:
Base-Base interactions energy: -257.251
where: short stacking energy: -122.296
Base-Backbone interact. energy: -0.324
local terms energy: -121.109943
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -25.806
flat angles C4'-P-C4' energy: -22.330
flat angles P-C4'-P energy: -16.183
tors. eta vs tors. theta energy: -38.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 1.283333
Total energy: -220.216796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.216796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.216796 (E_RNA)
where:
Base-Base interactions energy: -138.792
where: short stacking energy: -65.248
Base-Backbone interact. energy: -0.279
local terms energy: -81.146581
where:
bonds (distance) C4'-P energy: -19.970
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -11.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 188
Temperature: 1.666667
Total energy: -96.803099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.803099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.803099 (E_RNA)
where:
Base-Base interactions energy: -37.021
where: short stacking energy: -33.399
Base-Backbone interact. energy: 0.310
local terms energy: -60.091550
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -3.909
tors. eta vs tors. theta energy: 0.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 188
Temperature: 2.050000
Total energy: -55.902601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.902601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.902601 (E_RNA)
where:
Base-Base interactions energy: -17.249
where: short stacking energy: -13.358
Base-Backbone interact. energy: 0.260
local terms energy: -38.913604
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: 10.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 188
Temperature: 2.433333
Total energy: -47.726544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.726544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.726544 (E_RNA)
where:
Base-Base interactions energy: -15.924
where: short stacking energy: -15.924
Base-Backbone interact. energy: -0.380
local terms energy: -31.422131
where:
bonds (distance) C4'-P energy: -22.647
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -5.599
flat angles P-C4'-P energy: 6.283
tors. eta vs tors. theta energy: 6.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 188
Temperature: 2.816667
Total energy: -36.378740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.378740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.378740 (E_RNA)
where:
Base-Base interactions energy: -7.722
where: short stacking energy: -0.383
Base-Backbone interact. energy: 0.563
local terms energy: -29.219793
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -1.796
tors. eta vs tors. theta energy: 19.223
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: 9
=====================================
Write number: 188
Temperature: 3.200000
Total energy: -33.905955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.905955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.905955 (E_RNA)
where:
Base-Base interactions energy: -4.082
where: short stacking energy: -2.343
Base-Backbone interact. energy: 1.300
local terms energy: -31.123405
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: 15.850
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: 8, replica: 4
=====================================
Write number: 188
Temperature: 3.583333
Total energy: -14.452981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.452981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.452981 (E_RNA)
where:
Base-Base interactions energy: -7.509
where: short stacking energy: -2.586
Base-Backbone interact. energy: 0.779
local terms energy: -7.723405
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -1.835
flat angles C4'-P-C4' energy: -5.090
flat angles P-C4'-P energy: -0.654
tors. eta vs tors. theta energy: 11.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 188
Temperature: 3.966667
Total energy: -14.497755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.497755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.497755 (E_RNA)
where:
Base-Base interactions energy: -1.372
where: short stacking energy: -1.768
Base-Backbone interact. energy: 0.514
local terms energy: -13.640599
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -3.002
flat angles C4'-P-C4' energy: -4.374
flat angles P-C4'-P energy: -0.362
tors. eta vs tors. theta energy: 6.533
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: 7
=====================================
Write number: 188
Temperature: 4.350000
Total energy: 2.157758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 2.157758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 2.157758 (E_RNA)
where:
Base-Base interactions energy: -2.426
where: short stacking energy: -0.863
Base-Backbone interact. energy: 3.707
local terms energy: 0.876878
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: 1.693
flat angles P-C4'-P energy: 11.264
tors. eta vs tors. theta energy: 12.465
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: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -393.927184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.927184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.927184 (E_RNA)
where:
Base-Base interactions energy: -258.342
where: short stacking energy: -116.524
Base-Backbone interact. energy: -1.304
local terms energy: -134.281972
where:
bonds (distance) C4'-P energy: -27.952
bonds (distance) P-C4' energy: -28.190
flat angles C4'-P-C4' energy: -27.279
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -36.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 1.283333
Total energy: -194.204398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.204398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.204398 (E_RNA)
where:
Base-Base interactions energy: -107.384
where: short stacking energy: -54.921
Base-Backbone interact. energy: -0.467
local terms energy: -86.352571
where:
bonds (distance) C4'-P energy: -23.329
bonds (distance) P-C4' energy: -25.218
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -7.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.666667
Total energy: -95.234752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.234752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.234752 (E_RNA)
where:
Base-Base interactions energy: -33.242
where: short stacking energy: -32.596
Base-Backbone interact. energy: 0.329
local terms energy: -62.321789
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: 2.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 189
Temperature: 2.050000
Total energy: -74.367705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.367705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.367705 (E_RNA)
where:
Base-Base interactions energy: -13.999
where: short stacking energy: -3.839
Base-Backbone interact. energy: -0.238
local terms energy: -60.130022
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -27.004
flat angles C4'-P-C4' energy: -7.424
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: 10.716
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: 5, replica: 8
=====================================
Write number: 189
Temperature: 2.433333
Total energy: -46.145686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.145686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.145686 (E_RNA)
where:
Base-Base interactions energy: -17.541
where: short stacking energy: -13.556
Base-Backbone interact. energy: 3.479
local terms energy: -32.084049
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -5.587
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: 12.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 189
Temperature: 2.816667
Total energy: -31.488065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.488065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.488065 (E_RNA)
where:
Base-Base interactions energy: -12.590
where: short stacking energy: -4.064
Base-Backbone interact. energy: -0.262
local terms energy: -18.636188
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -11.230
flat angles C4'-P-C4' energy: -5.979
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: 23.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 189
Temperature: 3.200000
Total energy: -21.710874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.710874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.710874 (E_RNA)
where:
Base-Base interactions energy: -1.459
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.033
local terms energy: -20.219601
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -9.031
flat angles P-C4'-P energy: -0.307
tors. eta vs tors. theta energy: 17.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 3.583333
Total energy: -26.472183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.472183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.472183 (E_RNA)
where:
Base-Base interactions energy: -6.343
where: short stacking energy: -0.260
Base-Backbone interact. energy: 3.693
local terms energy: -23.822054
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -19.687
flat angles C4'-P-C4' energy: -9.907
flat angles P-C4'-P energy: -3.213
tors. eta vs tors. theta energy: 18.215
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: 3
=====================================
Write number: 189
Temperature: 3.966667
Total energy: -6.652961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.652961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.652961 (E_RNA)
where:
Base-Base interactions energy: -3.449
where: short stacking energy: -0.087
Base-Backbone interact. energy: -0.732
local terms energy: -2.472322
where:
bonds (distance) C4'-P energy: -2.150
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: 10.546
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: 8.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 189
Temperature: 4.350000
Total energy: -6.572876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.572876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.572876 (E_RNA)
where:
Base-Base interactions energy: -8.020
where: short stacking energy: -7.721
Base-Backbone interact. energy: 2.406
local terms energy: -0.958836
where:
bonds (distance) C4'-P energy: -3.560
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: 12.661
flat angles P-C4'-P energy: 4.843
tors. eta vs tors. theta energy: 2.972
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: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -388.620967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.620967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.620967 (E_RNA)
where:
Base-Base interactions energy: -260.925
where: short stacking energy: -123.064
Base-Backbone interact. energy: -1.061
local terms energy: -126.635095
where:
bonds (distance) C4'-P energy: -23.601
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -29.574
flat angles P-C4'-P energy: -18.005
tors. eta vs tors. theta energy: -33.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 190
Temperature: 1.283333
Total energy: -191.323169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.323169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.323169 (E_RNA)
where:
Base-Base interactions energy: -97.005
where: short stacking energy: -49.994
Base-Backbone interact. energy: -0.261
local terms energy: -94.057205
where:
bonds (distance) C4'-P energy: -21.387
bonds (distance) P-C4' energy: -26.275
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -18.559
tors. eta vs tors. theta energy: -6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 190
Temperature: 1.666667
Total energy: -84.812937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.812937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.812937 (E_RNA)
where:
Base-Base interactions energy: -20.934
where: short stacking energy: -17.736
Base-Backbone interact. energy: 0.478
local terms energy: -64.356775
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -23.845
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -9.985
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: 4, replica: 5
=====================================
Write number: 190
Temperature: 2.050000
Total energy: -70.527694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.527694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.527694 (E_RNA)
where:
Base-Base interactions energy: -16.335
where: short stacking energy: -16.078
Base-Backbone interact. energy: 0.893
local terms energy: -55.086477
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -17.542
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -3.976
tors. eta vs tors. theta energy: 7.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 190
Temperature: 2.433333
Total energy: -48.604234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.604234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.604234 (E_RNA)
where:
Base-Base interactions energy: -10.185
where: short stacking energy: -10.185
Base-Backbone interact. energy: -0.296
local terms energy: -38.123466
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -0.409
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: 6.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 190
Temperature: 2.816667
Total energy: -48.220885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.220885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.220885 (E_RNA)
where:
Base-Base interactions energy: -11.684
where: short stacking energy: -11.684
Base-Backbone interact. energy: -0.071
local terms energy: -36.466466
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -4.207
tors. eta vs tors. theta energy: 7.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 190
Temperature: 3.200000
Total energy: -25.000621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.000621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.000621 (E_RNA)
where:
Base-Base interactions energy: -17.638
where: short stacking energy: -4.487
Base-Backbone interact. energy: -0.788
local terms energy: -6.574230
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -4.445
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: 4.664
tors. eta vs tors. theta energy: 17.833
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: 4
=====================================
Write number: 190
Temperature: 3.583333
Total energy: -13.447861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.447861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.447861 (E_RNA)
where:
Base-Base interactions energy: -4.562
where: short stacking energy: -2.115
Base-Backbone interact. energy: 2.249
local terms energy: -11.134864
where:
bonds (distance) C4'-P energy: -1.385
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -8.713
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: 20.551
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: 7
=====================================
Write number: 190
Temperature: 3.966667
Total energy: -7.780085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.780085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.780085 (E_RNA)
where:
Base-Base interactions energy: -4.021
where: short stacking energy: -3.591
Base-Backbone interact. energy: 7.497
local terms energy: -11.256065
where:
bonds (distance) C4'-P energy: -8.670
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -1.693
flat angles P-C4'-P energy: 1.488
tors. eta vs tors. theta energy: 14.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 190
Temperature: 4.350000
Total energy: -2.422427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.422427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.422427 (E_RNA)
where:
Base-Base interactions energy: -3.340
where: short stacking energy: -4.395
Base-Backbone interact. energy: -0.405
local terms energy: 1.322868
where:
bonds (distance) C4'-P energy: -9.285
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: 0.375
flat angles P-C4'-P energy: 7.929
tors. eta vs tors. theta energy: 16.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -387.867682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.867682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.867682 (E_RNA)
where:
Base-Base interactions energy: -258.770
where: short stacking energy: -117.997
Base-Backbone interact. energy: -0.757
local terms energy: -128.340693
where:
bonds (distance) C4'-P energy: -26.163
bonds (distance) P-C4' energy: -27.029
flat angles C4'-P-C4' energy: -23.665
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -35.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 191
Temperature: 1.283333
Total energy: -199.935344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.935344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.935344 (E_RNA)
where:
Base-Base interactions energy: -112.099
where: short stacking energy: -67.769
Base-Backbone interact. energy: -0.325
local terms energy: -87.511901
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -21.460
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.666667
Total energy: -88.605261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.605261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.605261 (E_RNA)
where:
Base-Base interactions energy: -33.502
where: short stacking energy: -29.014
Base-Backbone interact. energy: -1.145
local terms energy: -53.958234
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -18.409
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: 7.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 2.050000
Total energy: -63.051234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.051234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.051234 (E_RNA)
where:
Base-Base interactions energy: -16.519
where: short stacking energy: -16.422
Base-Backbone interact. energy: -0.426
local terms energy: -46.106203
where:
bonds (distance) C4'-P energy: -20.756
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -8.919
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: 7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 191
Temperature: 2.433333
Total energy: -62.961420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.961420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.961420 (E_RNA)
where:
Base-Base interactions energy: -16.458
where: short stacking energy: -15.736
Base-Backbone interact. energy: 6.526
local terms energy: -53.029780
where:
bonds (distance) C4'-P energy: -21.066
bonds (distance) P-C4' energy: -22.797
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: 10.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 191
Temperature: 2.816667
Total energy: -38.749973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.749973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.749973 (E_RNA)
where:
Base-Base interactions energy: -12.455
where: short stacking energy: -5.194
Base-Backbone interact. energy: 6.113
local terms energy: -32.408277
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -6.988
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: 18.208
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: 8
=====================================
Write number: 191
Temperature: 3.200000
Total energy: -27.489886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.489886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.489886 (E_RNA)
where:
Base-Base interactions energy: 0.147
where: short stacking energy: -2.851
Base-Backbone interact. energy: -1.397
local terms energy: -26.239361
where:
bonds (distance) C4'-P energy: -5.521
bonds (distance) P-C4' energy: -26.023
flat angles C4'-P-C4' energy: -8.231
flat angles P-C4'-P energy: 0.067
tors. eta vs tors. theta energy: 13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 191
Temperature: 3.583333
Total energy: -23.463568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.463568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.463568 (E_RNA)
where:
Base-Base interactions energy: -5.914
where: short stacking energy: -0.842
Base-Backbone interact. energy: 0.639
local terms energy: -18.189145
where:
bonds (distance) C4'-P energy: -9.456
bonds (distance) P-C4' energy: -3.773
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: 15.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 191
Temperature: 3.966667
Total energy: -9.272659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.272659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.272659 (E_RNA)
where:
Base-Base interactions energy: -0.523
where: short stacking energy: -0.523
Base-Backbone interact. energy: 6.459
local terms energy: -15.209021
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: 0.045
tors. eta vs tors. theta energy: 21.641
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: 3
=====================================
Write number: 191
Temperature: 4.350000
Total energy: 2.500049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 2.500049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 2.500049 (E_RNA)
where:
Base-Base interactions energy: 0.958
where: short stacking energy: 2.096
Base-Backbone interact. energy: 5.365
local terms energy: -3.822960
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: 0.434
flat angles P-C4'-P energy: 6.272
tors. eta vs tors. theta energy: 20.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -378.168166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.168166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.168166 (E_RNA)
where:
Base-Base interactions energy: -255.377
where: short stacking energy: -120.455
Base-Backbone interact. energy: 0.114
local terms energy: -122.904742
where:
bonds (distance) C4'-P energy: -24.940
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -25.613
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -34.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 192
Temperature: 1.283333
Total energy: -208.438870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.438870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.438870 (E_RNA)
where:
Base-Base interactions energy: -120.556
where: short stacking energy: -61.856
Base-Backbone interact. energy: -0.821
local terms energy: -87.062306
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 192
Temperature: 1.666667
Total energy: -97.339838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.339838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.339838 (E_RNA)
where:
Base-Base interactions energy: -44.471
where: short stacking energy: -20.724
Base-Backbone interact. energy: 1.578
local terms energy: -54.447229
where:
bonds (distance) C4'-P energy: -24.138
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: 10.179
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: 5
=====================================
Write number: 192
Temperature: 2.050000
Total energy: -57.561956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.561956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.561956 (E_RNA)
where:
Base-Base interactions energy: -21.922
where: short stacking energy: -21.365
Base-Backbone interact. energy: -0.810
local terms energy: -34.829685
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -10.579
flat angles C4'-P-C4' energy: -7.172
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: 7.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 192
Temperature: 2.433333
Total energy: -43.229996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.229996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.229996 (E_RNA)
where:
Base-Base interactions energy: -9.071
where: short stacking energy: -7.038
Base-Backbone interact. energy: -1.587
local terms energy: -32.572032
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -5.538
flat angles P-C4'-P energy: -2.944
tors. eta vs tors. theta energy: 15.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 192
Temperature: 2.816667
Total energy: -41.936826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.936826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.936826 (E_RNA)
where:
Base-Base interactions energy: -2.420
where: short stacking energy: -0.907
Base-Backbone interact. energy: 0.900
local terms energy: -40.416979
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: 10.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 192
Temperature: 3.200000
Total energy: -24.614582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.614582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.614582 (E_RNA)
where:
Base-Base interactions energy: -8.633
where: short stacking energy: -8.641
Base-Backbone interact. energy: 0.634
local terms energy: -16.615722
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -6.863
flat angles C4'-P-C4' energy: -7.537
flat angles P-C4'-P energy: -2.139
tors. eta vs tors. theta energy: 9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 192
Temperature: 3.583333
Total energy: -17.373328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.373328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.373328 (E_RNA)
where:
Base-Base interactions energy: -6.004
where: short stacking energy: -5.307
Base-Backbone interact. energy: -0.356
local terms energy: -11.013598
where:
bonds (distance) C4'-P energy: -8.719
bonds (distance) P-C4' energy: -9.400
flat angles C4'-P-C4' energy: -6.761
flat angles P-C4'-P energy: -1.424
tors. eta vs tors. theta energy: 15.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 192
Temperature: 3.966667
Total energy: -8.468138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.468138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.468138 (E_RNA)
where:
Base-Base interactions energy: -5.429
where: short stacking energy: -1.149
Base-Backbone interact. energy: -0.530
local terms energy: -2.508708
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -11.075
flat angles C4'-P-C4' energy: 8.338
flat angles P-C4'-P energy: -0.454
tors. eta vs tors. theta energy: 15.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 192
Temperature: 4.350000
Total energy: -9.270050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.270050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.270050 (E_RNA)
where:
Base-Base interactions energy: -8.109
where: short stacking energy: -5.424
Base-Backbone interact. energy: 3.107
local terms energy: -4.267919
where:
bonds (distance) C4'-P energy: -7.347
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: 4.109
flat angles P-C4'-P energy: -1.368
tors. eta vs tors. theta energy: 18.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -377.713377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.713377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.713377 (E_RNA)
where:
Base-Base interactions energy: -249.281
where: short stacking energy: -109.751
Base-Backbone interact. energy: -0.464
local terms energy: -127.968276
where:
bonds (distance) C4'-P energy: -26.759
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -24.245
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -35.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 193
Temperature: 1.283333
Total energy: -193.371635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.371635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.371635 (E_RNA)
where:
Base-Base interactions energy: -101.715
where: short stacking energy: -59.880
Base-Backbone interact. energy: -1.249
local terms energy: -90.407322
where:
bonds (distance) C4'-P energy: -22.557
bonds (distance) P-C4' energy: -23.245
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -10.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 193
Temperature: 1.666667
Total energy: -80.744900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.744900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.744900 (E_RNA)
where:
Base-Base interactions energy: -25.096
where: short stacking energy: -22.100
Base-Backbone interact. energy: -0.956
local terms energy: -54.692832
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: 5.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 193
Temperature: 2.050000
Total energy: -67.628401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.628401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.628401 (E_RNA)
where:
Base-Base interactions energy: -23.482
where: short stacking energy: -23.430
Base-Backbone interact. energy: -0.247
local terms energy: -43.899716
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -8.461
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: 5.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 193
Temperature: 2.433333
Total energy: -47.302014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.302014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.302014 (E_RNA)
where:
Base-Base interactions energy: -6.054
where: short stacking energy: -4.848
Base-Backbone interact. energy: -0.438
local terms energy: -40.810029
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -8.361
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: 10.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 193
Temperature: 2.816667
Total energy: -28.616247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.616247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.616247 (E_RNA)
where:
Base-Base interactions energy: -9.743
where: short stacking energy: -10.497
Base-Backbone interact. energy: -0.899
local terms energy: -17.973902
where:
bonds (distance) C4'-P energy: -7.373
bonds (distance) P-C4' energy: -9.793
flat angles C4'-P-C4' energy: -6.519
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: 12.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 193
Temperature: 3.200000
Total energy: -24.606615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.606615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.606615 (E_RNA)
where:
Base-Base interactions energy: -3.534
where: short stacking energy: -3.534
Base-Backbone interact. energy: 0.750
local terms energy: -21.822253
where:
bonds (distance) C4'-P energy: -24.338
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -5.914
flat angles P-C4'-P energy: 10.345
tors. eta vs tors. theta energy: 9.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 193
Temperature: 3.583333
Total energy: -26.896890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.896890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.896890 (E_RNA)
where:
Base-Base interactions energy: -3.452
where: short stacking energy: -5.735
Base-Backbone interact. energy: 5.228
local terms energy: -28.673575
where:
bonds (distance) C4'-P energy: -20.397
bonds (distance) P-C4' energy: -9.046
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: 0.176
tors. eta vs tors. theta energy: 12.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 193
Temperature: 3.966667
Total energy: -8.952066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.952066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.952066 (E_RNA)
where:
Base-Base interactions energy: 5.906
where: short stacking energy: 8.100
Base-Backbone interact. energy: 2.911
local terms energy: -17.768451
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -1.514
flat angles P-C4'-P energy: -2.319
tors. eta vs tors. theta energy: 14.698
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: 4
=====================================
Write number: 193
Temperature: 4.350000
Total energy: -7.631420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.631420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.631420 (E_RNA)
where:
Base-Base interactions energy: -4.333
where: short stacking energy: 0.400
Base-Backbone interact. energy: 3.689
local terms energy: -6.988036
where:
bonds (distance) C4'-P energy: -6.275
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -2.018
flat angles P-C4'-P energy: -4.504
tors. eta vs tors. theta energy: 19.765
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: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -381.689780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.689780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.689780 (E_RNA)
where:
Base-Base interactions energy: -252.835
where: short stacking energy: -121.209
Base-Backbone interact. energy: -0.372
local terms energy: -128.483393
where:
bonds (distance) C4'-P energy: -23.181
bonds (distance) P-C4' energy: -24.507
flat angles C4'-P-C4' energy: -29.694
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -37.155
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: 2
=====================================
Write number: 194
Temperature: 1.283333
Total energy: -219.321705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.321705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.321705 (E_RNA)
where:
Base-Base interactions energy: -145.492
where: short stacking energy: -67.374
Base-Backbone interact. energy: -0.221
local terms energy: -73.609169
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -15.241
tors. eta vs tors. theta energy: -12.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 194
Temperature: 1.666667
Total energy: -103.689808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.689808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.689808 (E_RNA)
where:
Base-Base interactions energy: -51.330
where: short stacking energy: -27.284
Base-Backbone interact. energy: 3.085
local terms energy: -55.445078
where:
bonds (distance) C4'-P energy: -22.020
bonds (distance) P-C4' energy: -20.624
flat angles C4'-P-C4' energy: -9.079
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: 6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 194
Temperature: 2.050000
Total energy: -62.548468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.548468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.548468 (E_RNA)
where:
Base-Base interactions energy: -15.601
where: short stacking energy: -8.359
Base-Backbone interact. energy: 4.642
local terms energy: -51.588854
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: 9.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 194
Temperature: 2.433333
Total energy: -52.840842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.840842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.840842 (E_RNA)
where:
Base-Base interactions energy: -20.692
where: short stacking energy: -19.645
Base-Backbone interact. energy: -0.631
local terms energy: -31.517945
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -7.525
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: 1.632
tors. eta vs tors. theta energy: 5.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 194
Temperature: 2.816667
Total energy: -31.645972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.645972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.645972 (E_RNA)
where:
Base-Base interactions energy: -8.920
where: short stacking energy: -8.880
Base-Backbone interact. energy: -0.475
local terms energy: -22.251699
where:
bonds (distance) C4'-P energy: -20.271
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -5.289
flat angles P-C4'-P energy: 9.313
tors. eta vs tors. theta energy: 7.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 194
Temperature: 3.200000
Total energy: -24.779046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.779046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.779046 (E_RNA)
where:
Base-Base interactions energy: -4.056
where: short stacking energy: 0.505
Base-Backbone interact. energy: 0.094
local terms energy: -20.817050
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -7.725
flat angles P-C4'-P energy: -3.904
tors. eta vs tors. theta energy: 14.850
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: 8, replica: 8
=====================================
Write number: 194
Temperature: 3.583333
Total energy: -14.227712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.227712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.227712 (E_RNA)
where:
Base-Base interactions energy: -9.727
where: short stacking energy: -7.244
Base-Backbone interact. energy: 0.863
local terms energy: -5.363376
where:
bonds (distance) C4'-P energy: -8.022
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: 10.938
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: 16.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 194
Temperature: 3.966667
Total energy: -8.480151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.480151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.480151 (E_RNA)
where:
Base-Base interactions energy: -3.601
where: short stacking energy: -3.277
Base-Backbone interact. energy: 0.291
local terms energy: -5.170539
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -4.973
flat angles C4'-P-C4' energy: -8.199
flat angles P-C4'-P energy: 10.804
tors. eta vs tors. theta energy: 15.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 194
Temperature: 4.350000
Total energy: -12.369391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.369391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.369391 (E_RNA)
where:
Base-Base interactions energy: -2.208
where: short stacking energy: -0.119
Base-Backbone interact. energy: 2.922
local terms energy: -13.084037
where:
bonds (distance) C4'-P energy: -8.369
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -4.122
flat angles P-C4'-P energy: -1.819
tors. eta vs tors. theta energy: 12.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -384.545934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.545934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.545934 (E_RNA)
where:
Base-Base interactions energy: -261.766
where: short stacking energy: -120.047
Base-Backbone interact. energy: -0.417
local terms energy: -122.363199
where:
bonds (distance) C4'-P energy: -21.562
bonds (distance) P-C4' energy: -29.707
flat angles C4'-P-C4' energy: -26.233
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -32.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 195
Temperature: 1.283333
Total energy: -200.347749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.347749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.347749 (E_RNA)
where:
Base-Base interactions energy: -125.077
where: short stacking energy: -59.580
Base-Backbone interact. energy: 0.009
local terms energy: -75.280127
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -4.982
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: 5
=====================================
Write number: 195
Temperature: 1.666667
Total energy: -86.936531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.936531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.936531 (E_RNA)
where:
Base-Base interactions energy: -27.774
where: short stacking energy: -18.182
Base-Backbone interact. energy: 3.632
local terms energy: -62.794322
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -15.266
tors. eta vs tors. theta energy: 1.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 195
Temperature: 2.050000
Total energy: -60.337244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.337244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.337244 (E_RNA)
where:
Base-Base interactions energy: -6.528
where: short stacking energy: -6.628
Base-Backbone interact. energy: 2.164
local terms energy: -55.972678
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -21.732
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: 4.784
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: 6
=====================================
Write number: 195
Temperature: 2.433333
Total energy: -48.456644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.456644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.456644 (E_RNA)
where:
Base-Base interactions energy: -12.679
where: short stacking energy: -9.690
Base-Backbone interact. energy: 2.310
local terms energy: -38.087211
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: 1.213
tors. eta vs tors. theta energy: 12.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 195
Temperature: 2.816667
Total energy: -35.345899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.345899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.345899 (E_RNA)
where:
Base-Base interactions energy: -11.641
where: short stacking energy: -4.477
Base-Backbone interact. energy: 0.201
local terms energy: -23.905771
where:
bonds (distance) C4'-P energy: -10.283
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: 0.325
tors. eta vs tors. theta energy: 16.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 195
Temperature: 3.200000
Total energy: -22.547198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.547198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.547198 (E_RNA)
where:
Base-Base interactions energy: -6.517
where: short stacking energy: -4.399
Base-Backbone interact. energy: 6.397
local terms energy: -22.426385
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -23.509
flat angles C4'-P-C4' energy: 1.963
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: 17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 195
Temperature: 3.583333
Total energy: -23.842406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.842406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.842406 (E_RNA)
where:
Base-Base interactions energy: -1.312
where: short stacking energy: -1.612
Base-Backbone interact. energy: 4.335
local terms energy: -26.866136
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -6.487
flat angles P-C4'-P energy: 0.698
tors. eta vs tors. theta energy: 10.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 195
Temperature: 3.966667
Total energy: -10.880375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.880375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.880375 (E_RNA)
where:
Base-Base interactions energy: -5.155
where: short stacking energy: -0.391
Base-Backbone interact. energy: 4.937
local terms energy: -10.662516
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: 1.341
flat angles P-C4'-P energy: -1.725
tors. eta vs tors. theta energy: 21.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 195
Temperature: 4.350000
Total energy: 5.072005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 5.072005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 5.072005 (E_RNA)
where:
Base-Base interactions energy: -4.376
where: short stacking energy: -2.252
Base-Backbone interact. energy: 14.053
local terms energy: -4.605159
where:
bonds (distance) C4'-P energy: -1.479
bonds (distance) P-C4' energy: -5.559
flat angles C4'-P-C4' energy: -5.379
flat angles P-C4'-P energy: -3.800
tors. eta vs tors. theta energy: 11.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -392.593725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.593725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.593725 (E_RNA)
where:
Base-Base interactions energy: -255.543
where: short stacking energy: -114.619
Base-Backbone interact. energy: -1.120
local terms energy: -135.930392
where:
bonds (distance) C4'-P energy: -27.382
bonds (distance) P-C4' energy: -25.509
flat angles C4'-P-C4' energy: -27.964
flat angles P-C4'-P energy: -21.976
tors. eta vs tors. theta energy: -33.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 196
Temperature: 1.283333
Total energy: -183.488087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.488087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.488087 (E_RNA)
where:
Base-Base interactions energy: -101.971
where: short stacking energy: -56.224
Base-Backbone interact. energy: -0.419
local terms energy: -81.097686
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -8.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 196
Temperature: 1.666667
Total energy: -96.034304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.034304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.034304 (E_RNA)
where:
Base-Base interactions energy: -29.317
where: short stacking energy: -28.356
Base-Backbone interact. energy: 2.824
local terms energy: -69.540964
where:
bonds (distance) C4'-P energy: -19.977
bonds (distance) P-C4' energy: -19.186
flat angles C4'-P-C4' energy: -20.452
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: 3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 196
Temperature: 2.050000
Total energy: -65.048426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.048426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.048426 (E_RNA)
where:
Base-Base interactions energy: -15.347
where: short stacking energy: -15.347
Base-Backbone interact. energy: 1.222
local terms energy: -50.923516
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -21.749
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: 11.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 196
Temperature: 2.433333
Total energy: -48.676730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.676730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.676730 (E_RNA)
where:
Base-Base interactions energy: -21.196
where: short stacking energy: -8.692
Base-Backbone interact. energy: 4.001
local terms energy: -31.482298
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -5.812
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: 12.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 196
Temperature: 2.816667
Total energy: -29.384354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.384354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.384354 (E_RNA)
where:
Base-Base interactions energy: -1.825
where: short stacking energy: -4.127
Base-Backbone interact. energy: 0.002
local terms energy: -27.560972
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: 2.989
tors. eta vs tors. theta energy: 12.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 196
Temperature: 3.200000
Total energy: -30.581952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.581952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.581952 (E_RNA)
where:
Base-Base interactions energy: -1.624
where: short stacking energy: -1.624
Base-Backbone interact. energy: -0.106
local terms energy: -28.851651
where:
bonds (distance) C4'-P energy: -8.947
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: 3.994
tors. eta vs tors. theta energy: 10.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 196
Temperature: 3.583333
Total energy: -8.330983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.330983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.330983 (E_RNA)
where:
Base-Base interactions energy: -4.041
where: short stacking energy: -1.701
Base-Backbone interact. energy: 7.626
local terms energy: -11.916264
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: 7.720
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: 17.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 196
Temperature: 3.966667
Total energy: -0.645283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.645283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.645283 (E_RNA)
where:
Base-Base interactions energy: -3.514
where: short stacking energy: -3.514
Base-Backbone interact. energy: 1.483
local terms energy: 1.385440
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -1.964
flat angles C4'-P-C4' energy: 5.162
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: 16.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 196
Temperature: 4.350000
Total energy: -20.395697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.395697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.395697 (E_RNA)
where:
Base-Base interactions energy: -4.239
where: short stacking energy: -0.443
Base-Backbone interact. energy: 5.979
local terms energy: -22.135641
where:
bonds (distance) C4'-P energy: -8.125
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -1.704
tors. eta vs tors. theta energy: 13.610
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: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -391.123315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.123315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.123315 (E_RNA)
where:
Base-Base interactions energy: -258.371
where: short stacking energy: -126.169
Base-Backbone interact. energy: -0.125
local terms energy: -132.627220
where:
bonds (distance) C4'-P energy: -27.452
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -27.098
flat angles P-C4'-P energy: -19.394
tors. eta vs tors. theta energy: -35.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 197
Temperature: 1.283333
Total energy: -222.427506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.427506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.427506 (E_RNA)
where:
Base-Base interactions energy: -135.347
where: short stacking energy: -65.523
Base-Backbone interact. energy: 0.386
local terms energy: -87.466600
where:
bonds (distance) C4'-P energy: -18.665
bonds (distance) P-C4' energy: -23.191
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -10.094
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: 5
=====================================
Write number: 197
Temperature: 1.666667
Total energy: -93.822634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.822634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.822634 (E_RNA)
where:
Base-Base interactions energy: -29.651
where: short stacking energy: -29.651
Base-Backbone interact. energy: -0.137
local terms energy: -64.034048
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: 0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 197
Temperature: 2.050000
Total energy: -60.212934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.212934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.212934 (E_RNA)
where:
Base-Base interactions energy: -28.248
where: short stacking energy: -27.969
Base-Backbone interact. energy: 1.977
local terms energy: -33.941336
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -9.164
flat angles P-C4'-P energy: -4.413
tors. eta vs tors. theta energy: 6.169
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: 5, replica: 6
=====================================
Write number: 197
Temperature: 2.433333
Total energy: -49.269468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.269468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.269468 (E_RNA)
where:
Base-Base interactions energy: -14.245
where: short stacking energy: -10.360
Base-Backbone interact. energy: -0.417
local terms energy: -34.607266
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -7.784
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: 14.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 197
Temperature: 2.816667
Total energy: -29.694806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.694806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.694806 (E_RNA)
where:
Base-Base interactions energy: -0.390
where: short stacking energy: 0.818
Base-Backbone interact. energy: 0.450
local terms energy: -29.755299
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -8.078
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: 17.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 197
Temperature: 3.200000
Total energy: -15.415051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.415051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.415051 (E_RNA)
where:
Base-Base interactions energy: -3.893
where: short stacking energy: -3.390
Base-Backbone interact. energy: -0.187
local terms energy: -11.334868
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -5.794
flat angles C4'-P-C4' energy: -6.703
flat angles P-C4'-P energy: -3.700
tors. eta vs tors. theta energy: 14.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 197
Temperature: 3.583333
Total energy: -16.556722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.556722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.556722 (E_RNA)
where:
Base-Base interactions energy: 0.275
where: short stacking energy: 0.275
Base-Backbone interact. energy: 0.911
local terms energy: -17.743143
where:
bonds (distance) C4'-P energy: -5.102
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -8.945
flat angles P-C4'-P energy: 4.561
tors. eta vs tors. theta energy: 8.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 197
Temperature: 3.966667
Total energy: -13.792705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.792705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.792705 (E_RNA)
where:
Base-Base interactions energy: -1.357
where: short stacking energy: -2.057
Base-Backbone interact. energy: -0.164
local terms energy: -12.272198
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -8.740
flat angles P-C4'-P energy: 8.782
tors. eta vs tors. theta energy: 22.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 197
Temperature: 4.350000
Total energy: -0.969511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.969511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.969511 (E_RNA)
where:
Base-Base interactions energy: -5.978
where: short stacking energy: 1.382
Base-Backbone interact. energy: -0.103
local terms energy: 5.111591
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -3.522
flat angles C4'-P-C4' energy: 0.034
flat angles P-C4'-P energy: 1.246
tors. eta vs tors. theta energy: 16.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -386.862552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.862552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.862552 (E_RNA)
where:
Base-Base interactions energy: -255.475
where: short stacking energy: -119.289
Base-Backbone interact. energy: -0.610
local terms energy: -130.778351
where:
bonds (distance) C4'-P energy: -22.509
bonds (distance) P-C4' energy: -27.272
flat angles C4'-P-C4' energy: -27.888
flat angles P-C4'-P energy: -19.599
tors. eta vs tors. theta energy: -33.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 198
Temperature: 1.283333
Total energy: -231.221731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.221731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.221731 (E_RNA)
where:
Base-Base interactions energy: -134.684
where: short stacking energy: -56.688
Base-Backbone interact. energy: -1.764
local terms energy: -94.773349
where:
bonds (distance) C4'-P energy: -27.655
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -23.439
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -9.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 198
Temperature: 1.666667
Total energy: -87.704882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.704882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.704882 (E_RNA)
where:
Base-Base interactions energy: -36.651
where: short stacking energy: -21.041
Base-Backbone interact. energy: -0.515
local terms energy: -50.538360
where:
bonds (distance) C4'-P energy: -9.765
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -15.153
tors. eta vs tors. theta energy: 7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 198
Temperature: 2.050000
Total energy: -64.363333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.363333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.363333 (E_RNA)
where:
Base-Base interactions energy: -20.915
where: short stacking energy: -15.179
Base-Backbone interact. energy: -1.221
local terms energy: -42.226595
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -22.300
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -3.744
tors. eta vs tors. theta energy: 10.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 198
Temperature: 2.433333
Total energy: -53.838639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.838639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.838639 (E_RNA)
where:
Base-Base interactions energy: -20.213
where: short stacking energy: -13.615
Base-Backbone interact. energy: 2.327
local terms energy: -35.952726
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -19.286
flat angles C4'-P-C4' energy: -5.924
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: 13.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 198
Temperature: 2.816667
Total energy: -38.096633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.096633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.096633 (E_RNA)
where:
Base-Base interactions energy: -7.501
where: short stacking energy: -6.696
Base-Backbone interact. energy: 0.573
local terms energy: -31.169419
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -9.613
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -2.459
tors. eta vs tors. theta energy: 10.546
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: 7, replica: 4
=====================================
Write number: 198
Temperature: 3.200000
Total energy: -22.945307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.945307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.945307 (E_RNA)
where:
Base-Base interactions energy: -0.392
where: short stacking energy: 0.743
Base-Backbone interact. energy: 3.245
local terms energy: -25.798508
where:
bonds (distance) C4'-P energy: -8.650
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -8.864
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: 16.480
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: 9
=====================================
Write number: 198
Temperature: 3.583333
Total energy: -25.608714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.608714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.608714 (E_RNA)
where:
Base-Base interactions energy: -8.317
where: short stacking energy: -6.936
Base-Backbone interact. energy: 1.092
local terms energy: -18.383845
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: 2.812
flat angles P-C4'-P energy: 3.631
tors. eta vs tors. theta energy: 5.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 198
Temperature: 3.966667
Total energy: -13.350382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.350382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.350382 (E_RNA)
where:
Base-Base interactions energy: -2.935
where: short stacking energy: -0.412
Base-Backbone interact. energy: 1.604
local terms energy: -12.019516
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -7.512
flat angles P-C4'-P energy: 4.762
tors. eta vs tors. theta energy: 19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 198
Temperature: 4.350000
Total energy: -0.768741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.768741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.768741 (E_RNA)
where:
Base-Base interactions energy: -2.931
where: short stacking energy: -1.186
Base-Backbone interact. energy: 0.936
local terms energy: 1.226419
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: 2.264
flat angles P-C4'-P energy: 8.047
tors. eta vs tors. theta energy: 14.577
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: 199
Temperature: 0.900000
Total energy: -385.341054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.341054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.341054 (E_RNA)
where:
Base-Base interactions energy: -257.210
where: short stacking energy: -121.894
Base-Backbone interact. energy: -0.853
local terms energy: -127.278376
where:
bonds (distance) C4'-P energy: -27.026
bonds (distance) P-C4' energy: -24.350
flat angles C4'-P-C4' energy: -23.961
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -36.324
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: 2, replica: 2
=====================================
Write number: 199
Temperature: 1.283333
Total energy: -194.344547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.344547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.344547 (E_RNA)
where:
Base-Base interactions energy: -115.254
where: short stacking energy: -73.982
Base-Backbone interact. energy: 2.311
local terms energy: -81.401583
where:
bonds (distance) C4'-P energy: -19.890
bonds (distance) P-C4' energy: -10.342
flat angles C4'-P-C4' energy: -21.208
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -16.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 199
Temperature: 1.666667
Total energy: -94.000569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.000569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.000569 (E_RNA)
where:
Base-Base interactions energy: -38.883
where: short stacking energy: -16.762
Base-Backbone interact. energy: -0.962
local terms energy: -54.155774
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -28.433
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: 11.560
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: 10
=====================================
Write number: 199
Temperature: 2.050000
Total energy: -66.310877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.310877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.310877 (E_RNA)
where:
Base-Base interactions energy: -11.923
where: short stacking energy: -8.491
Base-Backbone interact. energy: 0.155
local terms energy: -54.542700
where:
bonds (distance) C4'-P energy: -20.380
bonds (distance) P-C4' energy: -30.008
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -3.997
tors. eta vs tors. theta energy: 11.145
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: 5, replica: 6
=====================================
Write number: 199
Temperature: 2.433333
Total energy: -59.431636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.431636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.431636 (E_RNA)
where:
Base-Base interactions energy: -21.074
where: short stacking energy: -20.594
Base-Backbone interact. energy: -0.237
local terms energy: -38.120288
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: 3.395
tors. eta vs tors. theta energy: 2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 199
Temperature: 2.816667
Total energy: -45.756901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.756901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.756901 (E_RNA)
where:
Base-Base interactions energy: -9.854
where: short stacking energy: -4.177
Base-Backbone interact. energy: -0.910
local terms energy: -34.993136
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -20.956
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -2.660
tors. eta vs tors. theta energy: 18.665
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: 7, replica: 4
=====================================
Write number: 199
Temperature: 3.200000
Total energy: -29.149150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.149150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.149150 (E_RNA)
where:
Base-Base interactions energy: 4.100
where: short stacking energy: 3.500
Base-Backbone interact. energy: 0.922
local terms energy: -34.171196
where:
bonds (distance) C4'-P energy: -8.400
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: 16.259
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: 8
=====================================
Write number: 199
Temperature: 3.583333
Total energy: -13.222130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.222130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.222130 (E_RNA)
where:
Base-Base interactions energy: -8.151
where: short stacking energy: -8.151
Base-Backbone interact. energy: 1.075
local terms energy: -6.146622
where:
bonds (distance) C4'-P energy: -4.403
bonds (distance) P-C4' energy: -3.908
flat angles C4'-P-C4' energy: -4.236
flat angles P-C4'-P energy: -1.347
tors. eta vs tors. theta energy: 7.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 199
Temperature: 3.966667
Total energy: -8.956791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.956791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.956791 (E_RNA)
where:
Base-Base interactions energy: 0.149
where: short stacking energy: 3.358
Base-Backbone interact. energy: 0.555
local terms energy: -9.660915
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -10.525
flat angles C4'-P-C4' energy: -6.610
flat angles P-C4'-P energy: 2.777
tors. eta vs tors. theta energy: 19.136
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: 10, replica: 3
=====================================
Write number: 199
Temperature: 4.350000
Total energy: -1.831833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.831833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.831833 (E_RNA)
where:
Base-Base interactions energy: -0.310
where: short stacking energy: 0.000
Base-Backbone interact. energy: 2.274
local terms energy: -3.795822
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -8.239
flat angles C4'-P-C4' energy: 0.672
flat angles P-C4'-P energy: -0.311
tors. eta vs tors. theta energy: 24.034
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: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -384.298220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.298220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.298220 (E_RNA)
where:
Base-Base interactions energy: -257.063
where: short stacking energy: -108.899
Base-Backbone interact. energy: -1.269
local terms energy: -125.966769
where:
bonds (distance) C4'-P energy: -24.852
bonds (distance) P-C4' energy: -24.168
flat angles C4'-P-C4' energy: -26.021
flat angles P-C4'-P energy: -20.788
tors. eta vs tors. theta energy: -30.138
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: 2
=====================================
Write number: 200
Temperature: 1.283333
Total energy: -191.087712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.087712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.087712 (E_RNA)
where:
Base-Base interactions energy: -107.236
where: short stacking energy: -62.480
Base-Backbone interact. energy: -0.285
local terms energy: -83.566640
where:
bonds (distance) C4'-P energy: -20.628
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -20.209
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -5.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 200
Temperature: 1.666667
Total energy: -86.432858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.432858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.432858 (E_RNA)
where:
Base-Base interactions energy: -29.945
where: short stacking energy: -20.667
Base-Backbone interact. energy: -0.863
local terms energy: -55.625050
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: 8.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 200
Temperature: 2.050000
Total energy: -67.473710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.473710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.473710 (E_RNA)
where:
Base-Base interactions energy: -13.584
where: short stacking energy: -12.388
Base-Backbone interact. energy: 2.165
local terms energy: -56.055394
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -23.160
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -2.380
tors. eta vs tors. theta energy: 6.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 200
Temperature: 2.433333
Total energy: -45.202247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.202247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.202247 (E_RNA)
where:
Base-Base interactions energy: -5.504
where: short stacking energy: -5.504
Base-Backbone interact. energy: -0.297
local terms energy: -39.402055
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: 13.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 200
Temperature: 2.816667
Total energy: -35.111917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.111917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.111917 (E_RNA)
where:
Base-Base interactions energy: -5.586
where: short stacking energy: -4.809
Base-Backbone interact. energy: -1.206
local terms energy: -28.320507
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -7.024
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: 16.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 200
Temperature: 3.200000
Total energy: -19.204320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.204320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.204320 (E_RNA)
where:
Base-Base interactions energy: -11.614
where: short stacking energy: -7.577
Base-Backbone interact. energy: 0.638
local terms energy: -8.228585
where:
bonds (distance) C4'-P energy: -3.866
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -6.246
flat angles P-C4'-P energy: 2.322
tors. eta vs tors. theta energy: 13.947
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: 4
=====================================
Write number: 200
Temperature: 3.583333
Total energy: -22.437433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.437433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.437433 (E_RNA)
where:
Base-Base interactions energy: -6.361
where: short stacking energy: -8.173
Base-Backbone interact. energy: -0.925
local terms energy: -15.152116
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -12.876
flat angles C4'-P-C4' energy: 3.428
flat angles P-C4'-P energy: -3.009
tors. eta vs tors. theta energy: 11.260
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: 9
=====================================
Write number: 200
Temperature: 3.966667
Total energy: -8.224425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.224425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.224425 (E_RNA)
where:
Base-Base interactions energy: 0.859
where: short stacking energy: -0.398
Base-Backbone interact. energy: 0.283
local terms energy: -9.366134
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -10.814
flat angles C4'-P-C4' energy: 7.832
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: 16.059
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: 3
=====================================
Write number: 200
Temperature: 4.350000
Total energy: -11.510587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.510587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.510587 (E_RNA)
where:
Base-Base interactions energy: -6.075
where: short stacking energy: -3.205
Base-Backbone interact. energy: 5.337
local terms energy: -10.772298
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: 3.617
flat angles C4'-P-C4' energy: -9.106
flat angles P-C4'-P energy: -1.205
tors. eta vs tors. theta energy: 10.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -384.639233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.639233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.639233 (E_RNA)
where:
Base-Base interactions energy: -253.886
where: short stacking energy: -122.709
Base-Backbone interact. energy: -0.747
local terms energy: -130.006190
where:
bonds (distance) C4'-P energy: -25.912
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -20.592
tors. eta vs tors. theta energy: -34.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 201
Temperature: 1.283333
Total energy: -135.408633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.408633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.408633 (E_RNA)
where:
Base-Base interactions energy: -55.659
where: short stacking energy: -49.026
Base-Backbone interact. energy: -0.307
local terms energy: -79.442559
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -21.553
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -16.333
tors. eta vs tors. theta energy: -0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 201
Temperature: 1.666667
Total energy: -92.774925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.774925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.774925 (E_RNA)
where:
Base-Base interactions energy: -31.469
where: short stacking energy: -31.098
Base-Backbone interact. energy: -0.261
local terms energy: -61.044153
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: 0.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 201
Temperature: 2.050000
Total energy: -62.880378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.880378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.880378 (E_RNA)
where:
Base-Base interactions energy: -23.010
where: short stacking energy: -18.081
Base-Backbone interact. energy: 2.356
local terms energy: -42.227119
where:
bonds (distance) C4'-P energy: -8.283
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: 7.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 201
Temperature: 2.433333
Total energy: -58.884721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.884721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.884721 (E_RNA)
where:
Base-Base interactions energy: -15.567
where: short stacking energy: -15.289
Base-Backbone interact. energy: 3.636
local terms energy: -46.953831
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -4.958
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: 9.108
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: 8
=====================================
Write number: 201
Temperature: 2.816667
Total energy: -32.866183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.866183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.866183 (E_RNA)
where:
Base-Base interactions energy: -1.135
where: short stacking energy: 0.793
Base-Backbone interact. energy: -0.807
local terms energy: -30.924436
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -25.669
flat angles C4'-P-C4' energy: -3.531
flat angles P-C4'-P energy: -2.579
tors. eta vs tors. theta energy: 14.534
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: 7, replica: 6
=====================================
Write number: 201
Temperature: 3.200000
Total energy: -22.698594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.698594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.698594 (E_RNA)
where:
Base-Base interactions energy: -3.163
where: short stacking energy: -0.455
Base-Backbone interact. energy: -0.440
local terms energy: -19.095970
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -5.470
flat angles P-C4'-P energy: 4.186
tors. eta vs tors. theta energy: 12.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 201
Temperature: 3.583333
Total energy: -13.263123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.263123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.263123 (E_RNA)
where:
Base-Base interactions energy: 0.433
where: short stacking energy: 0.433
Base-Backbone interact. energy: 0.355
local terms energy: -14.051622
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -6.362
flat angles P-C4'-P energy: -0.642
tors. eta vs tors. theta energy: 18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 201
Temperature: 3.966667
Total energy: -10.164184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.164184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.164184 (E_RNA)
where:
Base-Base interactions energy: -7.034
where: short stacking energy: -3.656
Base-Backbone interact. energy: 5.328
local terms energy: -8.458697
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: 10.235
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: 16.028
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: 3
=====================================
Write number: 201
Temperature: 4.350000
Total energy: 4.779177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4.779177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 4.779177 (E_RNA)
where:
Base-Base interactions energy: -10.020
where: short stacking energy: -6.960
Base-Backbone interact. energy: 5.724
local terms energy: 9.075115
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: 6.935
flat angles C4'-P-C4' energy: -8.988
flat angles P-C4'-P energy: 6.868
tors. eta vs tors. theta energy: 14.983
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: 202
Temperature: 0.900000
Total energy: -380.624637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.624637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.624637 (E_RNA)
where:
Base-Base interactions energy: -250.526
where: short stacking energy: -116.853
Base-Backbone interact. energy: -0.048
local terms energy: -130.050628
where:
bonds (distance) C4'-P energy: -26.494
bonds (distance) P-C4' energy: -28.299
flat angles C4'-P-C4' energy: -25.532
flat angles P-C4'-P energy: -18.225
tors. eta vs tors. theta energy: -31.500
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: 2
=====================================
Write number: 202
Temperature: 1.283333
Total energy: -136.745837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.745837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.745837 (E_RNA)
where:
Base-Base interactions energy: -48.601
where: short stacking energy: -44.971
Base-Backbone interact. energy: -0.439
local terms energy: -87.706344
where:
bonds (distance) C4'-P energy: -23.102
bonds (distance) P-C4' energy: -29.929
flat angles C4'-P-C4' energy: -22.237
flat angles P-C4'-P energy: -16.164
tors. eta vs tors. theta energy: 3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 202
Temperature: 1.666667
Total energy: -86.191166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.191166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.191166 (E_RNA)
where:
Base-Base interactions energy: -35.646
where: short stacking energy: -29.011
Base-Backbone interact. energy: -0.251
local terms energy: -50.294023
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -21.830
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: 2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 202
Temperature: 2.050000
Total energy: -59.758977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.758977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.758977 (E_RNA)
where:
Base-Base interactions energy: -17.360
where: short stacking energy: -17.043
Base-Backbone interact. energy: 0.476
local terms energy: -42.874935
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -4.137
tors. eta vs tors. theta energy: 7.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 202
Temperature: 2.433333
Total energy: -45.509560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.509560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.509560 (E_RNA)
where:
Base-Base interactions energy: -8.477
where: short stacking energy: -6.504
Base-Backbone interact. energy: -0.534
local terms energy: -36.498688
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -21.127
flat angles P-C4'-P energy: -0.308
tors. eta vs tors. theta energy: 14.371
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: 7
=====================================
Write number: 202
Temperature: 2.816667
Total energy: -38.234671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.234671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.234671 (E_RNA)
where:
Base-Base interactions energy: -6.244
where: short stacking energy: -6.244
Base-Backbone interact. energy: 0.421
local terms energy: -32.411121
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: 10.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 202
Temperature: 3.200000
Total energy: -19.218133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.218133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.218133 (E_RNA)
where:
Base-Base interactions energy: -9.331
where: short stacking energy: -8.601
Base-Backbone interact. energy: 0.682
local terms energy: -10.568629
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -11.233
flat angles C4'-P-C4' energy: -6.519
flat angles P-C4'-P energy: 7.633
tors. eta vs tors. theta energy: 15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 202
Temperature: 3.583333
Total energy: -19.663588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.663588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.663588 (E_RNA)
where:
Base-Base interactions energy: -6.815
where: short stacking energy: -6.613
Base-Backbone interact. energy: 6.956
local terms energy: -19.804564
where:
bonds (distance) C4'-P energy: -9.200
bonds (distance) P-C4' energy: -9.886
flat angles C4'-P-C4' energy: -7.713
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: 13.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 202
Temperature: 3.966667
Total energy: -12.056409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.056409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.056409 (E_RNA)
where:
Base-Base interactions energy: -0.400
where: short stacking energy: -0.077
Base-Backbone interact. energy: 1.388
local terms energy: -13.043736
where:
bonds (distance) C4'-P energy: -4.853
bonds (distance) P-C4' energy: -9.615
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: 0.396
tors. eta vs tors. theta energy: 14.829
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: 4
=====================================
Write number: 202
Temperature: 4.350000
Total energy: -0.956484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.956484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.956484 (E_RNA)
where:
Base-Base interactions energy: -7.004
where: short stacking energy: -3.961
Base-Backbone interact. energy: 2.576
local terms energy: 3.470979
where:
bonds (distance) C4'-P energy: -8.682
bonds (distance) P-C4' energy: -6.229
flat angles C4'-P-C4' energy: 0.693
flat angles P-C4'-P energy: 6.398
tors. eta vs tors. theta energy: 11.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -381.199604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.199604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.199604 (E_RNA)
where:
Base-Base interactions energy: -254.394
where: short stacking energy: -112.517
Base-Backbone interact. energy: -1.314
local terms energy: -125.492356
where:
bonds (distance) C4'-P energy: -23.634
bonds (distance) P-C4' energy: -27.797
flat angles C4'-P-C4' energy: -27.695
flat angles P-C4'-P energy: -16.689
tors. eta vs tors. theta energy: -29.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 203
Temperature: 1.283333
Total energy: -158.260208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.260208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.260208 (E_RNA)
where:
Base-Base interactions energy: -74.349
where: short stacking energy: -51.938
Base-Backbone interact. energy: -0.701
local terms energy: -83.210037
where:
bonds (distance) C4'-P energy: -25.300
bonds (distance) P-C4' energy: -25.813
flat angles C4'-P-C4' energy: -21.327
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: 1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 203
Temperature: 1.666667
Total energy: -88.635191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.635191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.635191 (E_RNA)
where:
Base-Base interactions energy: -27.468
where: short stacking energy: -27.468
Base-Backbone interact. energy: 0.844
local terms energy: -62.011719
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -22.998
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: 6.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 203
Temperature: 2.050000
Total energy: -77.351400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.351400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.351400 (E_RNA)
where:
Base-Base interactions energy: -29.621
where: short stacking energy: -16.267
Base-Backbone interact. energy: -1.269
local terms energy: -46.460692
where:
bonds (distance) C4'-P energy: -20.796
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: 13.766
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: 8
=====================================
Write number: 203
Temperature: 2.433333
Total energy: -48.367957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.367957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.367957 (E_RNA)
where:
Base-Base interactions energy: -22.174
where: short stacking energy: -15.845
Base-Backbone interact. energy: 1.875
local terms energy: -28.068976
where:
bonds (distance) C4'-P energy: -23.762
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: 10.791
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: 3.302
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: 9
=====================================
Write number: 203
Temperature: 2.816667
Total energy: -37.776523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.776523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.776523 (E_RNA)
where:
Base-Base interactions energy: -21.507
where: short stacking energy: -20.092
Base-Backbone interact. energy: -0.783
local terms energy: -15.486207
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: 0.007
flat angles C4'-P-C4' energy: -7.584
flat angles P-C4'-P energy: -0.386
tors. eta vs tors. theta energy: 8.415
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: 7
=====================================
Write number: 203
Temperature: 3.200000
Total energy: -28.580992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.580992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.580992 (E_RNA)
where:
Base-Base interactions energy: -8.161
where: short stacking energy: 0.099
Base-Backbone interact. energy: 2.505
local terms energy: -22.925455
where:
bonds (distance) C4'-P energy: -7.882
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -3.876
tors. eta vs tors. theta energy: 12.066
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: 8, replica: 3
=====================================
Write number: 203
Temperature: 3.583333
Total energy: -14.729771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.729771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.729771 (E_RNA)
where:
Base-Base interactions energy: -3.289
where: short stacking energy: -3.211
Base-Backbone interact. energy: 0.352
local terms energy: -11.792383
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: 4.173
flat angles P-C4'-P energy: 0.163
tors. eta vs tors. theta energy: 10.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 203
Temperature: 3.966667
Total energy: -20.600267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.600267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.600267 (E_RNA)
where:
Base-Base interactions energy: -6.626
where: short stacking energy: -2.085
Base-Backbone interact. energy: 0.989
local terms energy: -14.963314
where:
bonds (distance) C4'-P energy: -8.474
bonds (distance) P-C4' energy: 1.190
flat angles C4'-P-C4' energy: -7.952
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: 5.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 203
Temperature: 4.350000
Total energy: -8.653020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.653020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.653020 (E_RNA)
where:
Base-Base interactions energy: -4.406
where: short stacking energy: 0.426
Base-Backbone interact. energy: 14.388
local terms energy: -18.635033
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -1.266
flat angles P-C4'-P energy: 0.129
tors. eta vs tors. theta energy: 16.099
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: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -393.343372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.343372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.343372 (E_RNA)
where:
Base-Base interactions energy: -263.659
where: short stacking energy: -115.838
Base-Backbone interact. energy: -1.164
local terms energy: -128.520778
where:
bonds (distance) C4'-P energy: -23.537
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -27.365
flat angles P-C4'-P energy: -18.260
tors. eta vs tors. theta energy: -35.195
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: 204
Temperature: 1.283333
Total energy: -175.653978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.653978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.653978 (E_RNA)
where:
Base-Base interactions energy: -86.982
where: short stacking energy: -50.902
Base-Backbone interact. energy: 0.671
local terms energy: -89.342209
where:
bonds (distance) C4'-P energy: -20.538
bonds (distance) P-C4' energy: -22.804
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.666667
Total energy: -84.863581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.863581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.863581 (E_RNA)
where:
Base-Base interactions energy: -25.267
where: short stacking energy: -16.403
Base-Backbone interact. energy: -0.946
local terms energy: -58.650507
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -21.865
flat angles C4'-P-C4' energy: -20.519
flat angles P-C4'-P energy: -1.423
tors. eta vs tors. theta energy: 6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 204
Temperature: 2.050000
Total energy: -74.094497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.094497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.094497 (E_RNA)
where:
Base-Base interactions energy: -26.924
where: short stacking energy: -17.841
Base-Backbone interact. energy: 0.168
local terms energy: -47.338860
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: 9.221
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: 9
=====================================
Write number: 204
Temperature: 2.433333
Total energy: -50.782818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.782818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.782818 (E_RNA)
where:
Base-Base interactions energy: -5.934
where: short stacking energy: -4.601
Base-Backbone interact. energy: -1.020
local terms energy: -43.828411
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: 12.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 204
Temperature: 2.816667
Total energy: -33.236057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.236057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.236057 (E_RNA)
where:
Base-Base interactions energy: -13.772
where: short stacking energy: -11.726
Base-Backbone interact. energy: 2.595
local terms energy: -22.058998
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -6.543
flat angles P-C4'-P energy: 3.616
tors. eta vs tors. theta energy: 6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 204
Temperature: 3.200000
Total energy: -24.190499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.190499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.190499 (E_RNA)
where:
Base-Base interactions energy: -5.965
where: short stacking energy: -3.159
Base-Backbone interact. energy: 1.424
local terms energy: -19.649227
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: 3.187
flat angles P-C4'-P energy: 6.108
tors. eta vs tors. theta energy: 5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 204
Temperature: 3.583333
Total energy: -17.246712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.246712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.246712 (E_RNA)
where:
Base-Base interactions energy: 3.771
where: short stacking energy: 6.300
Base-Backbone interact. energy: 0.235
local terms energy: -21.252889
where:
bonds (distance) C4'-P energy: -5.368
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -8.488
flat angles P-C4'-P energy: -1.269
tors. eta vs tors. theta energy: 13.560
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: 4
=====================================
Write number: 204
Temperature: 3.966667
Total energy: -3.937498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.937498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.937498 (E_RNA)
where:
Base-Base interactions energy: -0.241
where: short stacking energy: 0.000
Base-Backbone interact. energy: 1.065
local terms energy: -4.761336
where:
bonds (distance) C4'-P energy: -7.525
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -4.993
flat angles P-C4'-P energy: 8.655
tors. eta vs tors. theta energy: 10.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 4.350000
Total energy: -0.651001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.651001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.651001 (E_RNA)
where:
Base-Base interactions energy: -0.960
where: short stacking energy: -0.960
Base-Backbone interact. energy: 5.185
local terms energy: -4.875256
where:
bonds (distance) C4'-P energy: -7.975
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -4.870
flat angles P-C4'-P energy: 1.263
tors. eta vs tors. theta energy: 19.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -384.264373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.264373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.264373 (E_RNA)
where:
Base-Base interactions energy: -254.400
where: short stacking energy: -118.361
Base-Backbone interact. energy: -1.094
local terms energy: -128.770214
where:
bonds (distance) C4'-P energy: -22.862
bonds (distance) P-C4' energy: -22.543
flat angles C4'-P-C4' energy: -27.286
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: -37.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 205
Temperature: 1.283333
Total energy: -184.172641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.172641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.172641 (E_RNA)
where:
Base-Base interactions energy: -103.712
where: short stacking energy: -50.583
Base-Backbone interact. energy: 2.910
local terms energy: -83.370521
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -23.589
flat angles C4'-P-C4' energy: -24.687
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -5.598
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: 10
=====================================
Write number: 205
Temperature: 1.666667
Total energy: -95.295394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.295394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.295394 (E_RNA)
where:
Base-Base interactions energy: -36.317
where: short stacking energy: -25.129
Base-Backbone interact. energy: 2.737
local terms energy: -61.715404
where:
bonds (distance) C4'-P energy: -21.272
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: 0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 205
Temperature: 2.050000
Total energy: -69.553733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.553733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.553733 (E_RNA)
where:
Base-Base interactions energy: -14.091
where: short stacking energy: -13.294
Base-Backbone interact. energy: 0.607
local terms energy: -56.069507
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -22.352
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: 11.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 205
Temperature: 2.433333
Total energy: -42.959810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.959810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.959810 (E_RNA)
where:
Base-Base interactions energy: -10.580
where: short stacking energy: -3.898
Base-Backbone interact. energy: -0.301
local terms energy: -32.079290
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: 0.937
tors. eta vs tors. theta energy: 13.768
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: 3
=====================================
Write number: 205
Temperature: 2.816667
Total energy: -32.867402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.867402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.867402 (E_RNA)
where:
Base-Base interactions energy: -13.156
where: short stacking energy: -12.984
Base-Backbone interact. energy: -0.537
local terms energy: -19.175188
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: 8.750
tors. eta vs tors. theta energy: 15.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 205
Temperature: 3.200000
Total energy: -25.402149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.402149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.402149 (E_RNA)
where:
Base-Base interactions energy: -8.829
where: short stacking energy: -7.907
Base-Backbone interact. energy: -0.419
local terms energy: -16.154423
where:
bonds (distance) C4'-P energy: -7.319
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -0.919
flat angles P-C4'-P energy: -4.386
tors. eta vs tors. theta energy: 11.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 205
Temperature: 3.583333
Total energy: -17.646603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.646603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.646603 (E_RNA)
where:
Base-Base interactions energy: -4.547
where: short stacking energy: -3.237
Base-Backbone interact. energy: 4.883
local terms energy: -17.982528
where:
bonds (distance) C4'-P energy: -8.520
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -9.507
flat angles P-C4'-P energy: 0.603
tors. eta vs tors. theta energy: 16.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 205
Temperature: 3.966667
Total energy: -8.275409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.275409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.275409 (E_RNA)
where:
Base-Base interactions energy: 0.617
where: short stacking energy: 0.617
Base-Backbone interact. energy: 0.092
local terms energy: -8.984230
where:
bonds (distance) C4'-P energy: -6.474
bonds (distance) P-C4' energy: -5.175
flat angles C4'-P-C4' energy: -2.980
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: 15.587
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: 6
=====================================
Write number: 205
Temperature: 4.350000
Total energy: -9.444254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.444254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.444254 (E_RNA)
where:
Base-Base interactions energy: -1.803
where: short stacking energy: -1.574
Base-Backbone interact. energy: 0.324
local terms energy: -7.965502
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: 5.070
flat angles P-C4'-P energy: -2.423
tors. eta vs tors. theta energy: 19.996
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: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -381.446139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.446139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.446139 (E_RNA)
where:
Base-Base interactions energy: -254.417
where: short stacking energy: -110.273
Base-Backbone interact. energy: -0.361
local terms energy: -126.667815
where:
bonds (distance) C4'-P energy: -26.084
bonds (distance) P-C4' energy: -28.712
flat angles C4'-P-C4' energy: -25.094
flat angles P-C4'-P energy: -14.769
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: 2, replica: 2
=====================================
Write number: 206
Temperature: 1.283333
Total energy: -212.489252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.489252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.489252 (E_RNA)
where:
Base-Base interactions energy: -123.214
where: short stacking energy: -49.390
Base-Backbone interact. energy: 0.185
local terms energy: -89.460316
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -26.349
flat angles C4'-P-C4' energy: -20.436
flat angles P-C4'-P energy: -18.341
tors. eta vs tors. theta energy: -7.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 206
Temperature: 1.666667
Total energy: -90.993195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.993195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.993195 (E_RNA)
where:
Base-Base interactions energy: -26.419
where: short stacking energy: -26.264
Base-Backbone interact. energy: -0.740
local terms energy: -63.834036
where:
bonds (distance) C4'-P energy: -24.405
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: 6.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 206
Temperature: 2.050000
Total energy: -63.101080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.101080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.101080 (E_RNA)
where:
Base-Base interactions energy: -7.437
where: short stacking energy: -7.998
Base-Backbone interact. energy: 0.265
local terms energy: -55.929028
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -23.795
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: 13.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 206
Temperature: 2.433333
Total energy: -44.204223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.204223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.204223 (E_RNA)
where:
Base-Base interactions energy: -14.281
where: short stacking energy: -12.041
Base-Backbone interact. energy: 0.327
local terms energy: -30.250694
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -10.390
flat angles P-C4'-P energy: -3.696
tors. eta vs tors. theta energy: 10.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 206
Temperature: 2.816667
Total energy: -39.488598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.488598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.488598 (E_RNA)
where:
Base-Base interactions energy: -7.041
where: short stacking energy: -4.784
Base-Backbone interact. energy: 2.876
local terms energy: -35.322774
where:
bonds (distance) C4'-P energy: -20.163
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -8.376
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: 14.287
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: 4
=====================================
Write number: 206
Temperature: 3.200000
Total energy: -20.118084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.118084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.118084 (E_RNA)
where:
Base-Base interactions energy: -8.941
where: short stacking energy: -7.579
Base-Backbone interact. energy: 0.520
local terms energy: -11.696432
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -9.695
flat angles C4'-P-C4' energy: -3.129
flat angles P-C4'-P energy: 5.164
tors. eta vs tors. theta energy: 10.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 206
Temperature: 3.583333
Total energy: -19.191758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.191758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.191758 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.507
local terms energy: -18.684356
where:
bonds (distance) C4'-P energy: -6.678
bonds (distance) P-C4' energy: -8.191
flat angles C4'-P-C4' energy: -7.249
flat angles P-C4'-P energy: -4.567
tors. eta vs tors. theta energy: 8.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 206
Temperature: 3.966667
Total energy: -7.088901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.088901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.088901 (E_RNA)
where:
Base-Base interactions energy: 1.573
where: short stacking energy: 0.000
Base-Backbone interact. energy: 3.252
local terms energy: -11.914087
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -20.240
flat angles C4'-P-C4' energy: -6.851
flat angles P-C4'-P energy: 10.112
tors. eta vs tors. theta energy: 15.725
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: 7
=====================================
Write number: 206
Temperature: 4.350000
Total energy: -2.525387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.525387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.525387 (E_RNA)
where:
Base-Base interactions energy: -11.441
where: short stacking energy: -8.296
Base-Backbone interact. energy: 3.934
local terms energy: 4.981326
where:
bonds (distance) C4'-P energy: -3.783
bonds (distance) P-C4' energy: 0.517
flat angles C4'-P-C4' energy: -8.268
flat angles P-C4'-P energy: 0.159
tors. eta vs tors. theta energy: 16.357
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: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -390.712874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.712874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.712874 (E_RNA)
where:
Base-Base interactions energy: -255.956
where: short stacking energy: -117.362
Base-Backbone interact. energy: -0.155
local terms energy: -134.601998
where:
bonds (distance) C4'-P energy: -25.639
bonds (distance) P-C4' energy: -29.685
flat angles C4'-P-C4' energy: -28.186
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -35.302
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: 2, replica: 2
=====================================
Write number: 207
Temperature: 1.283333
Total energy: -179.797241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.797241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.797241 (E_RNA)
where:
Base-Base interactions energy: -108.823
where: short stacking energy: -63.182
Base-Backbone interact. energy: -1.050
local terms energy: -69.924229
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 207
Temperature: 1.666667
Total energy: -83.096994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.096994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.096994 (E_RNA)
where:
Base-Base interactions energy: -28.873
where: short stacking energy: -23.330
Base-Backbone interact. energy: -0.509
local terms energy: -53.715606
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -22.064
flat angles C4'-P-C4' energy: -19.736
flat angles P-C4'-P energy: -1.744
tors. eta vs tors. theta energy: 7.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 207
Temperature: 2.050000
Total energy: -62.051751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.051751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.051751 (E_RNA)
where:
Base-Base interactions energy: -21.698
where: short stacking energy: -17.504
Base-Backbone interact. energy: 4.132
local terms energy: -44.485444
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: 8.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 207
Temperature: 2.433333
Total energy: -41.968115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.968115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.968115 (E_RNA)
where:
Base-Base interactions energy: -14.333
where: short stacking energy: -13.597
Base-Backbone interact. energy: 1.694
local terms energy: -29.329932
where:
bonds (distance) C4'-P energy: -4.300
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -1.268
tors. eta vs tors. theta energy: 11.180
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: 6, replica: 4
=====================================
Write number: 207
Temperature: 2.816667
Total energy: -29.193210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.193210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.193210 (E_RNA)
where:
Base-Base interactions energy: -9.100
where: short stacking energy: -6.804
Base-Backbone interact. energy: 0.947
local terms energy: -21.039744
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: 1.109
flat angles P-C4'-P energy: -0.877
tors. eta vs tors. theta energy: 10.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 207
Temperature: 3.200000
Total energy: -31.571914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.571914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.571914 (E_RNA)
where:
Base-Base interactions energy: -12.781
where: short stacking energy: -12.228
Base-Backbone interact. energy: -0.333
local terms energy: -18.457385
where:
bonds (distance) C4'-P energy: -8.930
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -5.652
flat angles P-C4'-P energy: 2.812
tors. eta vs tors. theta energy: 5.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 207
Temperature: 3.583333
Total energy: -27.049939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.049939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.049939 (E_RNA)
where:
Base-Base interactions energy: -12.041
where: short stacking energy: -13.678
Base-Backbone interact. energy: -0.172
local terms energy: -14.837017
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -3.416
flat angles C4'-P-C4' energy: -6.678
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: 15.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 207
Temperature: 3.966667
Total energy: -5.074293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.074293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.074293 (E_RNA)
where:
Base-Base interactions energy: -7.027
where: short stacking energy: -4.345
Base-Backbone interact. energy: 1.448
local terms energy: 0.504735
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: 5.874
flat angles P-C4'-P energy: 6.713
tors. eta vs tors. theta energy: 15.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 207
Temperature: 4.350000
Total energy: -12.659594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.659594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.659594 (E_RNA)
where:
Base-Base interactions energy: -0.618
where: short stacking energy: -0.522
Base-Backbone interact. energy: 1.109
local terms energy: -13.150677
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -2.679
flat angles P-C4'-P energy: -1.942
tors. eta vs tors. theta energy: 21.416
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: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -382.249392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.249392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.249392 (E_RNA)
where:
Base-Base interactions energy: -256.514
where: short stacking energy: -117.246
Base-Backbone interact. energy: -0.755
local terms energy: -124.980635
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -31.393
flat angles C4'-P-C4' energy: -27.187
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -33.010
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: 2
=====================================
Write number: 208
Temperature: 1.283333
Total energy: -176.285833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.285833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.285833 (E_RNA)
where:
Base-Base interactions energy: -101.706
where: short stacking energy: -54.749
Base-Backbone interact. energy: 0.285
local terms energy: -74.865189
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -21.177
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -7.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 208
Temperature: 1.666667
Total energy: -100.047326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.047326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.047326 (E_RNA)
where:
Base-Base interactions energy: -28.040
where: short stacking energy: -26.113
Base-Backbone interact. energy: -1.102
local terms energy: -70.905635
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 2.050000
Total energy: -63.296084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.296084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.296084 (E_RNA)
where:
Base-Base interactions energy: -10.258
where: short stacking energy: -6.987
Base-Backbone interact. energy: -0.516
local terms energy: -52.522169
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -16.521
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: 3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 208
Temperature: 2.433333
Total energy: -43.053712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.053712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.053712 (E_RNA)
where:
Base-Base interactions energy: -11.626
where: short stacking energy: -7.938
Base-Backbone interact. energy: -0.164
local terms energy: -31.263615
where:
bonds (distance) C4'-P energy: -8.470
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -2.822
tors. eta vs tors. theta energy: 15.976
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: 6, replica: 4
=====================================
Write number: 208
Temperature: 2.816667
Total energy: -36.231758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.231758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.231758 (E_RNA)
where:
Base-Base interactions energy: -2.466
where: short stacking energy: -1.671
Base-Backbone interact. energy: 1.268
local terms energy: -35.034123
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -5.012
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: 15.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 208
Temperature: 3.200000
Total energy: -29.350019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.350019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.350019 (E_RNA)
where:
Base-Base interactions energy: -5.449
where: short stacking energy: -5.770
Base-Backbone interact. energy: 0.449
local terms energy: -24.350350
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: 7.217
tors. eta vs tors. theta energy: 10.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 208
Temperature: 3.583333
Total energy: -16.744457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.744457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.744457 (E_RNA)
where:
Base-Base interactions energy: -13.130
where: short stacking energy: -8.020
Base-Backbone interact. energy: 1.381
local terms energy: -4.994830
where:
bonds (distance) C4'-P energy: -8.607
bonds (distance) P-C4' energy: -8.824
flat angles C4'-P-C4' energy: -6.051
flat angles P-C4'-P energy: 1.675
tors. eta vs tors. theta energy: 16.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 208
Temperature: 3.966667
Total energy: -4.018115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.018115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.018115 (E_RNA)
where:
Base-Base interactions energy: -4.768
where: short stacking energy: -4.214
Base-Backbone interact. energy: 4.095
local terms energy: -3.345144
where:
bonds (distance) C4'-P energy: -9.720
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -5.128
flat angles P-C4'-P energy: 4.893
tors. eta vs tors. theta energy: 18.710
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: 6
=====================================
Write number: 208
Temperature: 4.350000
Total energy: -10.466678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.466678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.466678 (E_RNA)
where:
Base-Base interactions energy: -9.920
where: short stacking energy: -5.610
Base-Backbone interact. energy: -1.144
local terms energy: 0.596769
where:
bonds (distance) C4'-P energy: -7.778
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -1.279
flat angles P-C4'-P energy: 13.315
tors. eta vs tors. theta energy: 11.164
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: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -368.187930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.187930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.187930 (E_RNA)
where:
Base-Base interactions energy: -251.250
where: short stacking energy: -115.972
Base-Backbone interact. energy: -0.865
local terms energy: -116.072919
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -21.995
flat angles C4'-P-C4' energy: -24.618
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -35.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 209
Temperature: 1.283333
Total energy: -184.516950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.516950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.516950 (E_RNA)
where:
Base-Base interactions energy: -100.134
where: short stacking energy: -63.875
Base-Backbone interact. energy: -0.199
local terms energy: -84.183240
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -17.954
tors. eta vs tors. theta energy: -7.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 209
Temperature: 1.666667
Total energy: -99.739929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.739929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.739929 (E_RNA)
where:
Base-Base interactions energy: -37.629
where: short stacking energy: -22.282
Base-Backbone interact. energy: -0.785
local terms energy: -61.326434
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -19.392
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -1.187
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: 5
=====================================
Write number: 209
Temperature: 2.050000
Total energy: -64.835905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.835905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.835905 (E_RNA)
where:
Base-Base interactions energy: -24.443
where: short stacking energy: -14.169
Base-Backbone interact. energy: 0.335
local terms energy: -40.728192
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -5.924
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: 8.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 209
Temperature: 2.433333
Total energy: -48.477136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.477136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.477136 (E_RNA)
where:
Base-Base interactions energy: -8.552
where: short stacking energy: -7.795
Base-Backbone interact. energy: -0.724
local terms energy: -39.200757
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: 13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 209
Temperature: 2.816667
Total energy: -31.424867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.424867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.424867 (E_RNA)
where:
Base-Base interactions energy: -0.669
where: short stacking energy: -0.067
Base-Backbone interact. energy: -0.450
local terms energy: -30.305258
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: 1.763
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: 7.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 209
Temperature: 3.200000
Total energy: -32.656203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.656203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.656203 (E_RNA)
where:
Base-Base interactions energy: -12.897
where: short stacking energy: -10.855
Base-Backbone interact. energy: -0.052
local terms energy: -19.707265
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -6.653
flat angles C4'-P-C4' energy: 9.013
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: 11.787
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: 8, replica: 3
=====================================
Write number: 209
Temperature: 3.583333
Total energy: -15.248225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.248225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.248225 (E_RNA)
where:
Base-Base interactions energy: -1.901
where: short stacking energy: -0.449
Base-Backbone interact. energy: 0.987
local terms energy: -14.334605
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -7.917
flat angles P-C4'-P energy: 5.628
tors. eta vs tors. theta energy: 16.062
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: 9, replica: 7
=====================================
Write number: 209
Temperature: 3.966667
Total energy: -5.493202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.493202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.493202 (E_RNA)
where:
Base-Base interactions energy: -4.674
where: short stacking energy: -2.095
Base-Backbone interact. energy: 0.899
local terms energy: -1.717726
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -5.743
flat angles C4'-P-C4' energy: 2.604
flat angles P-C4'-P energy: 0.691
tors. eta vs tors. theta energy: 17.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 209
Temperature: 4.350000
Total energy: 0.911356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.911356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.911356 (E_RNA)
where:
Base-Base interactions energy: -6.159
where: short stacking energy: -4.378
Base-Backbone interact. energy: 8.096
local terms energy: -1.025225
where:
bonds (distance) C4'-P energy: -7.615
bonds (distance) P-C4' energy: -6.173
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: 11.387
tors. eta vs tors. theta energy: 15.619
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: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -382.606102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.606102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.606102 (E_RNA)
where:
Base-Base interactions energy: -250.616
where: short stacking energy: -110.040
Base-Backbone interact. energy: -0.001
local terms energy: -131.988992
where:
bonds (distance) C4'-P energy: -29.116
bonds (distance) P-C4' energy: -26.236
flat angles C4'-P-C4' energy: -27.748
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -31.899
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: 210
Temperature: 1.283333
Total energy: -134.010357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.010357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.010357 (E_RNA)
where:
Base-Base interactions energy: -54.223
where: short stacking energy: -54.223
Base-Backbone interact. energy: -0.217
local terms energy: -79.569844
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -26.762
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: -6.230
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: 9
=====================================
Write number: 210
Temperature: 1.666667
Total energy: -98.810737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.810737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.810737 (E_RNA)
where:
Base-Base interactions energy: -43.561
where: short stacking energy: -23.111
Base-Backbone interact. energy: -0.422
local terms energy: -54.827815
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -21.231
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: 6.277
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: 5
=====================================
Write number: 210
Temperature: 2.050000
Total energy: -69.388354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.388354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.388354 (E_RNA)
where:
Base-Base interactions energy: -21.173
where: short stacking energy: -14.396
Base-Backbone interact. energy: 1.126
local terms energy: -49.341836
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -4.313
tors. eta vs tors. theta energy: 5.206
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: 8
=====================================
Write number: 210
Temperature: 2.433333
Total energy: -41.373919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.373919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.373919 (E_RNA)
where:
Base-Base interactions energy: -4.416
where: short stacking energy: -6.573
Base-Backbone interact. energy: 0.922
local terms energy: -37.879938
where:
bonds (distance) C4'-P energy: -11.314
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -0.041
tors. eta vs tors. theta energy: 14.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 210
Temperature: 2.816667
Total energy: -31.321552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.321552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.321552 (E_RNA)
where:
Base-Base interactions energy: -12.537
where: short stacking energy: -12.395
Base-Backbone interact. energy: 0.937
local terms energy: -19.722358
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: 8.182
flat angles P-C4'-P energy: 4.782
tors. eta vs tors. theta energy: 8.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 210
Temperature: 3.200000
Total energy: -26.782308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.782308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.782308 (E_RNA)
where:
Base-Base interactions energy: 2.814
where: short stacking energy: -0.986
Base-Backbone interact. energy: -0.287
local terms energy: -29.308761
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -8.826
flat angles P-C4'-P energy: -2.088
tors. eta vs tors. theta energy: 15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 210
Temperature: 3.583333
Total energy: -16.807308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.807308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.807308 (E_RNA)
where:
Base-Base interactions energy: -11.746
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.362
local terms energy: -4.699292
where:
bonds (distance) C4'-P energy: 0.174
bonds (distance) P-C4' energy: -8.166
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: 2.089
tors. eta vs tors. theta energy: 13.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 210
Temperature: 3.966667
Total energy: -20.223374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.223374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.223374 (E_RNA)
where:
Base-Base interactions energy: -8.403
where: short stacking energy: -6.791
Base-Backbone interact. energy: -0.725
local terms energy: -11.094938
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -4.631
flat angles P-C4'-P energy: 2.992
tors. eta vs tors. theta energy: 16.914
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: 7
=====================================
Write number: 210
Temperature: 4.350000
Total energy: -0.217098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.217098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.217098 (E_RNA)
where:
Base-Base interactions energy: 1.371
where: short stacking energy: 0.671
Base-Backbone interact. energy: -0.350
local terms energy: -1.238149
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -7.205
flat angles P-C4'-P energy: 10.201
tors. eta vs tors. theta energy: 15.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -384.281511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.281511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.281511 (E_RNA)
where:
Base-Base interactions energy: -253.015
where: short stacking energy: -126.121
Base-Backbone interact. energy: -0.002
local terms energy: -131.264487
where:
bonds (distance) C4'-P energy: -23.582
bonds (distance) P-C4' energy: -24.863
flat angles C4'-P-C4' energy: -31.056
flat angles P-C4'-P energy: -16.981
tors. eta vs tors. theta energy: -34.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 1.283333
Total energy: -147.435504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.435504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.435504 (E_RNA)
where:
Base-Base interactions energy: -73.236
where: short stacking energy: -56.244
Base-Backbone interact. energy: -0.293
local terms energy: -73.907305
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -24.146
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -7.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 211
Temperature: 1.666667
Total energy: -99.208151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.208151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.208151 (E_RNA)
where:
Base-Base interactions energy: -31.567
where: short stacking energy: -18.176
Base-Backbone interact. energy: -1.275
local terms energy: -66.366023
where:
bonds (distance) C4'-P energy: -24.954
bonds (distance) P-C4' energy: -21.998
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: 8.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 211
Temperature: 2.050000
Total energy: -69.876419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.876419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.876419 (E_RNA)
where:
Base-Base interactions energy: -14.396
where: short stacking energy: -14.313
Base-Backbone interact. energy: -0.200
local terms energy: -55.280488
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -22.056
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: 12.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 211
Temperature: 2.433333
Total energy: -42.204656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.204656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.204656 (E_RNA)
where:
Base-Base interactions energy: -7.214
where: short stacking energy: -5.090
Base-Backbone interact. energy: -0.230
local terms energy: -34.760391
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -22.958
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: 0.804
tors. eta vs tors. theta energy: 12.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 211
Temperature: 2.816667
Total energy: -35.382683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.382683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.382683 (E_RNA)
where:
Base-Base interactions energy: -9.398
where: short stacking energy: -10.198
Base-Backbone interact. energy: 0.170
local terms energy: -26.154542
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -0.647
flat angles P-C4'-P energy: 2.327
tors. eta vs tors. theta energy: 7.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 211
Temperature: 3.200000
Total energy: -26.359967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.359967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.359967 (E_RNA)
where:
Base-Base interactions energy: -13.501
where: short stacking energy: -13.522
Base-Backbone interact. energy: -0.925
local terms energy: -11.934108
where:
bonds (distance) C4'-P energy: -8.222
bonds (distance) P-C4' energy: -8.757
flat angles C4'-P-C4' energy: -6.429
flat angles P-C4'-P energy: 2.269
tors. eta vs tors. theta energy: 9.204
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: 4
=====================================
Write number: 211
Temperature: 3.583333
Total energy: -14.578611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.578611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.578611 (E_RNA)
where:
Base-Base interactions energy: -5.553
where: short stacking energy: -5.515
Base-Backbone interact. energy: -0.393
local terms energy: -8.632908
where:
bonds (distance) C4'-P energy: -21.575
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: 2.352
flat angles P-C4'-P energy: 1.468
tors. eta vs tors. theta energy: 20.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 211
Temperature: 3.966667
Total energy: -15.647650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.647650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.647650 (E_RNA)
where:
Base-Base interactions energy: -3.018
where: short stacking energy: 0.307
Base-Backbone interact. energy: 4.869
local terms energy: -17.498266
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: 0.999
tors. eta vs tors. theta energy: 20.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 211
Temperature: 4.350000
Total energy: -1.979069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.979069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.979069 (E_RNA)
where:
Base-Base interactions energy: -4.668
where: short stacking energy: 2.775
Base-Backbone interact. energy: 5.565
local terms energy: -2.875742
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -4.059
flat angles C4'-P-C4' energy: -4.096
flat angles P-C4'-P energy: -0.158
tors. eta vs tors. theta energy: 16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -381.610053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.610053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.610053 (E_RNA)
where:
Base-Base interactions energy: -254.056
where: short stacking energy: -123.354
Base-Backbone interact. energy: -1.715
local terms energy: -125.839356
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -25.577
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -17.586
tors. eta vs tors. theta energy: -36.448
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: 2
=====================================
Write number: 212
Temperature: 1.283333
Total energy: -148.969979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.969979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.969979 (E_RNA)
where:
Base-Base interactions energy: -65.469
where: short stacking energy: -33.750
Base-Backbone interact. energy: -0.042
local terms energy: -83.458733
where:
bonds (distance) C4'-P energy: -25.825
bonds (distance) P-C4' energy: -22.650
flat angles C4'-P-C4' energy: -22.665
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: 3.987
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: 3, replica: 9
=====================================
Write number: 212
Temperature: 1.666667
Total energy: -97.031036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.031036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.031036 (E_RNA)
where:
Base-Base interactions energy: -38.174
where: short stacking energy: -25.911
Base-Backbone interact. energy: -0.434
local terms energy: -58.422991
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: 6.245
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: 8
=====================================
Write number: 212
Temperature: 2.050000
Total energy: -63.058764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.058764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.058764 (E_RNA)
where:
Base-Base interactions energy: -28.971
where: short stacking energy: -23.505
Base-Backbone interact. energy: 0.746
local terms energy: -34.833185
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -10.364
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: 8.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 212
Temperature: 2.433333
Total energy: -48.901797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.901797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.901797 (E_RNA)
where:
Base-Base interactions energy: -13.807
where: short stacking energy: -11.594
Base-Backbone interact. energy: 0.066
local terms energy: -35.160989
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -7.334
flat angles P-C4'-P energy: -5.067
tors. eta vs tors. theta energy: 10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 212
Temperature: 2.816667
Total energy: -34.779475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.779475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.779475 (E_RNA)
where:
Base-Base interactions energy: -16.393
where: short stacking energy: -14.331
Base-Backbone interact. energy: 0.103
local terms energy: -18.489213
where:
bonds (distance) C4'-P energy: 1.490
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: 12.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 212
Temperature: 3.200000
Total energy: -22.057300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.057300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.057300 (E_RNA)
where:
Base-Base interactions energy: -4.686
where: short stacking energy: -3.068
Base-Backbone interact. energy: -0.722
local terms energy: -16.649179
where:
bonds (distance) C4'-P energy: -3.489
bonds (distance) P-C4' energy: -8.298
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -4.177
tors. eta vs tors. theta energy: 9.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 212
Temperature: 3.583333
Total energy: -17.489777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.489777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.489777 (E_RNA)
where:
Base-Base interactions energy: -2.476
where: short stacking energy: -2.729
Base-Backbone interact. energy: 8.114
local terms energy: -23.128468
where:
bonds (distance) C4'-P energy: -8.764
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: 2.213
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: 8.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 3.966667
Total energy: -8.619539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.619539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.619539 (E_RNA)
where:
Base-Base interactions energy: -1.794
where: short stacking energy: -1.173
Base-Backbone interact. energy: -0.192
local terms energy: -6.633770
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -10.192
flat angles C4'-P-C4' energy: 3.214
flat angles P-C4'-P energy: -0.969
tors. eta vs tors. theta energy: 14.386
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: 6
=====================================
Write number: 212
Temperature: 4.350000
Total energy: -1.599307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.599307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.599307 (E_RNA)
where:
Base-Base interactions energy: 0.653
where: short stacking energy: -0.655
Base-Backbone interact. energy: 3.192
local terms energy: -5.445075
where:
bonds (distance) C4'-P energy: -0.391
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -0.904
flat angles P-C4'-P energy: -5.051
tors. eta vs tors. theta energy: 16.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -385.212815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.212815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.212815 (E_RNA)
where:
Base-Base interactions energy: -260.214
where: short stacking energy: -118.210
Base-Backbone interact. energy: 0.096
local terms energy: -125.095083
where:
bonds (distance) C4'-P energy: -27.427
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -25.446
flat angles P-C4'-P energy: -19.756
tors. eta vs tors. theta energy: -35.187
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: 2, replica: 2
=====================================
Write number: 213
Temperature: 1.283333
Total energy: -140.973711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.973711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.973711 (E_RNA)
where:
Base-Base interactions energy: -63.879
where: short stacking energy: -50.852
Base-Backbone interact. energy: -0.400
local terms energy: -76.694833
where:
bonds (distance) C4'-P energy: -23.842
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -8.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 213
Temperature: 1.666667
Total energy: -90.719760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.719760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.719760 (E_RNA)
where:
Base-Base interactions energy: -38.356
where: short stacking energy: -21.720
Base-Backbone interact. energy: 3.327
local terms energy: -55.690977
where:
bonds (distance) C4'-P energy: -22.054
bonds (distance) P-C4' energy: -22.296
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: 9.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 213
Temperature: 2.050000
Total energy: -57.594995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.594995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.594995 (E_RNA)
where:
Base-Base interactions energy: -19.077
where: short stacking energy: -20.277
Base-Backbone interact. energy: -0.561
local terms energy: -37.957305
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -4.640
tors. eta vs tors. theta energy: 12.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 213
Temperature: 2.433333
Total energy: -51.193446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.193446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.193446 (E_RNA)
where:
Base-Base interactions energy: -11.683
where: short stacking energy: -8.748
Base-Backbone interact. energy: 0.564
local terms energy: -40.074040
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -5.185
tors. eta vs tors. theta energy: 13.623
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: 4
=====================================
Write number: 213
Temperature: 2.816667
Total energy: -31.673653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.673653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.673653 (E_RNA)
where:
Base-Base interactions energy: -11.075
where: short stacking energy: -6.905
Base-Backbone interact. energy: -0.598
local terms energy: -20.000906
where:
bonds (distance) C4'-P energy: -7.634
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -2.010
tors. eta vs tors. theta energy: 16.627
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: 5
=====================================
Write number: 213
Temperature: 3.200000
Total energy: -24.267244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.267244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.267244 (E_RNA)
where:
Base-Base interactions energy: -2.527
where: short stacking energy: -1.532
Base-Backbone interact. energy: 1.116
local terms energy: -22.855985
where:
bonds (distance) C4'-P energy: -7.892
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -6.271
flat angles P-C4'-P energy: -2.160
tors. eta vs tors. theta energy: 4.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 3.583333
Total energy: -15.167633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.167633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.167633 (E_RNA)
where:
Base-Base interactions energy: -10.359
where: short stacking energy: -8.906
Base-Backbone interact. energy: 3.536
local terms energy: -8.344460
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -5.999
flat angles C4'-P-C4' energy: -0.138
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: 14.591
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: 3
=====================================
Write number: 213
Temperature: 3.966667
Total energy: -9.788600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.788600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.788600 (E_RNA)
where:
Base-Base interactions energy: 0.103
where: short stacking energy: -1.171
Base-Backbone interact. energy: 6.992
local terms energy: -16.883555
where:
bonds (distance) C4'-P energy: -9.501
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -8.060
flat angles P-C4'-P energy: 0.432
tors. eta vs tors. theta energy: 15.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 4.350000
Total energy: 5.514421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 5.514421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 5.514421 (E_RNA)
where:
Base-Base interactions energy: 0.142
where: short stacking energy: 0.142
Base-Backbone interact. energy: 7.711
local terms energy: -2.338443
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -6.092
flat angles C4'-P-C4' energy: 3.529
flat angles P-C4'-P energy: -1.667
tors. eta vs tors. theta energy: 15.346
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: 214
Temperature: 0.900000
Total energy: -392.697240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.697240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.697240 (E_RNA)
where:
Base-Base interactions energy: -257.883
where: short stacking energy: -126.853
Base-Backbone interact. energy: -0.369
local terms energy: -134.444593
where:
bonds (distance) C4'-P energy: -26.518
bonds (distance) P-C4' energy: -26.301
flat angles C4'-P-C4' energy: -27.457
flat angles P-C4'-P energy: -17.868
tors. eta vs tors. theta energy: -36.300
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: 2
=====================================
Write number: 214
Temperature: 1.283333
Total energy: -135.080135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.080135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.080135 (E_RNA)
where:
Base-Base interactions energy: -59.345
where: short stacking energy: -40.949
Base-Backbone interact. energy: -0.901
local terms energy: -74.833761
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -25.849
flat angles C4'-P-C4' energy: -26.928
flat angles P-C4'-P energy: -4.042
tors. eta vs tors. theta energy: 1.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 214
Temperature: 1.666667
Total energy: -83.802347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.802347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.802347 (E_RNA)
where:
Base-Base interactions energy: -38.740
where: short stacking energy: -23.665
Base-Backbone interact. energy: 0.481
local terms energy: -45.542666
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -3.176
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: 12.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 214
Temperature: 2.050000
Total energy: -63.833401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.833401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.833401 (E_RNA)
where:
Base-Base interactions energy: -21.237
where: short stacking energy: -21.095
Base-Backbone interact. energy: -0.560
local terms energy: -42.036412
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: 1.142
tors. eta vs tors. theta energy: 8.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 214
Temperature: 2.433333
Total energy: -44.584344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.584344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.584344 (E_RNA)
where:
Base-Base interactions energy: -15.260
where: short stacking energy: -6.396
Base-Backbone interact. energy: 0.325
local terms energy: -29.649315
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -3.742
flat angles P-C4'-P energy: -4.463
tors. eta vs tors. theta energy: 12.838
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: 8
=====================================
Write number: 214
Temperature: 2.816667
Total energy: -29.139354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.139354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.139354 (E_RNA)
where:
Base-Base interactions energy: -6.182
where: short stacking energy: -4.688
Base-Backbone interact. energy: -1.381
local terms energy: -21.576627
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -18.102
flat angles C4'-P-C4' energy: -2.334
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: 16.399
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: 214
Temperature: 3.200000
Total energy: -25.259525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.259525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.259525 (E_RNA)
where:
Base-Base interactions energy: -5.359
where: short stacking energy: -5.359
Base-Backbone interact. energy: 0.109
local terms energy: -20.009148
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -0.146
flat angles P-C4'-P energy: 5.647
tors. eta vs tors. theta energy: 14.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 214
Temperature: 3.583333
Total energy: -25.108086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.108086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.108086 (E_RNA)
where:
Base-Base interactions energy: -7.613
where: short stacking energy: -6.344
Base-Backbone interact. energy: -0.586
local terms energy: -16.909467
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -19.473
flat angles C4'-P-C4' energy: 1.550
flat angles P-C4'-P energy: 4.741
tors. eta vs tors. theta energy: 17.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 3.966667
Total energy: -8.875394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.875394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.875394 (E_RNA)
where:
Base-Base interactions energy: -3.477
where: short stacking energy: -3.288
Base-Backbone interact. energy: 2.245
local terms energy: -7.644152
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -5.037
flat angles C4'-P-C4' energy: -6.386
flat angles P-C4'-P energy: 2.216
tors. eta vs tors. theta energy: 15.243
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: 3
=====================================
Write number: 214
Temperature: 4.350000
Total energy: -10.323429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.323429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.323429 (E_RNA)
where:
Base-Base interactions energy: -2.055
where: short stacking energy: -2.355
Base-Backbone interact. energy: -0.591
local terms energy: -7.677577
where:
bonds (distance) C4'-P energy: -8.991
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -5.663
flat angles P-C4'-P energy: 12.197
tors. eta vs tors. theta energy: 11.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -371.457731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.457731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.457731 (E_RNA)
where:
Base-Base interactions energy: -254.730
where: short stacking energy: -115.146
Base-Backbone interact. energy: -1.291
local terms energy: -115.436635
where:
bonds (distance) C4'-P energy: -24.317
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -25.049
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -35.821
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: 2
=====================================
Write number: 215
Temperature: 1.283333
Total energy: -134.750019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.750019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.750019 (E_RNA)
where:
Base-Base interactions energy: -43.884
where: short stacking energy: -25.741
Base-Backbone interact. energy: -0.867
local terms energy: -89.998814
where:
bonds (distance) C4'-P energy: -26.936
bonds (distance) P-C4' energy: -29.919
flat angles C4'-P-C4' energy: -19.875
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: 0.431
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: 9
=====================================
Write number: 215
Temperature: 1.666667
Total energy: -87.288724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.288724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.288724 (E_RNA)
where:
Base-Base interactions energy: -23.404
where: short stacking energy: -23.060
Base-Backbone interact. energy: -0.771
local terms energy: -63.113389
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: 2.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 215
Temperature: 2.050000
Total energy: -64.683390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.683390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.683390 (E_RNA)
where:
Base-Base interactions energy: -20.174
where: short stacking energy: -12.000
Base-Backbone interact. energy: -1.261
local terms energy: -43.248275
where:
bonds (distance) C4'-P energy: -21.141
bonds (distance) P-C4' energy: -6.453
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: 8.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 215
Temperature: 2.433333
Total energy: -40.294958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.294958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.294958 (E_RNA)
where:
Base-Base interactions energy: -9.930
where: short stacking energy: -9.666
Base-Backbone interact. energy: 0.907
local terms energy: -31.272035
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -2.812
tors. eta vs tors. theta energy: 11.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 215
Temperature: 2.816667
Total energy: -37.655520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.655520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.655520 (E_RNA)
where:
Base-Base interactions energy: -11.250
where: short stacking energy: -11.250
Base-Backbone interact. energy: 2.139
local terms energy: -28.545124
where:
bonds (distance) C4'-P energy: -8.072
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: 7.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 215
Temperature: 3.200000
Total energy: -31.415975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.415975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.415975 (E_RNA)
where:
Base-Base interactions energy: -8.796
where: short stacking energy: -2.930
Base-Backbone interact. energy: -0.619
local terms energy: -22.000586
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -7.175
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -1.531
tors. eta vs tors. theta energy: 14.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 3.583333
Total energy: -18.224402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.224402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.224402 (E_RNA)
where:
Base-Base interactions energy: -3.698
where: short stacking energy: -3.716
Base-Backbone interact. energy: 1.584
local terms energy: -16.110357
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -20.412
flat angles C4'-P-C4' energy: -5.087
flat angles P-C4'-P energy: -3.491
tors. eta vs tors. theta energy: 22.092
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: 7
=====================================
Write number: 215
Temperature: 3.966667
Total energy: -6.987375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.987375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.987375 (E_RNA)
where:
Base-Base interactions energy: -3.913
where: short stacking energy: -1.245
Base-Backbone interact. energy: 0.287
local terms energy: -3.361748
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -7.398
flat angles P-C4'-P energy: 9.129
tors. eta vs tors. theta energy: 21.253
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: 3
=====================================
Write number: 215
Temperature: 4.350000
Total energy: 5.217114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 5.217114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 5.217114 (E_RNA)
where:
Base-Base interactions energy: -6.443
where: short stacking energy: -1.144
Base-Backbone interact. energy: 5.219
local terms energy: 6.441750
where:
bonds (distance) C4'-P energy: -2.525
bonds (distance) P-C4' energy: -11.093
flat angles C4'-P-C4' energy: -8.502
flat angles P-C4'-P energy: 9.736
tors. eta vs tors. theta energy: 18.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -386.402632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.402632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.402632 (E_RNA)
where:
Base-Base interactions energy: -258.822
where: short stacking energy: -115.541
Base-Backbone interact. energy: -0.784
local terms energy: -126.796328
where:
bonds (distance) C4'-P energy: -25.265
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -25.496
flat angles P-C4'-P energy: -17.593
tors. eta vs tors. theta energy: -34.767
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: 216
Temperature: 1.283333
Total energy: -118.837246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.837246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.837246 (E_RNA)
where:
Base-Base interactions energy: -43.944
where: short stacking energy: -31.950
Base-Backbone interact. energy: -0.563
local terms energy: -74.330548
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -25.683
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.666667
Total energy: -98.753523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.753523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.753523 (E_RNA)
where:
Base-Base interactions energy: -36.983
where: short stacking energy: -33.881
Base-Backbone interact. energy: -0.298
local terms energy: -61.472488
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -28.085
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: 3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 216
Temperature: 2.050000
Total energy: -78.438788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.438788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.438788 (E_RNA)
where:
Base-Base interactions energy: -10.469
where: short stacking energy: -10.205
Base-Backbone interact. energy: -0.225
local terms energy: -67.744828
where:
bonds (distance) C4'-P energy: -23.753
bonds (distance) P-C4' energy: -26.103
flat angles C4'-P-C4' energy: -18.233
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: 9.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 216
Temperature: 2.433333
Total energy: -49.013614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.013614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.013614 (E_RNA)
where:
Base-Base interactions energy: -13.303
where: short stacking energy: -9.830
Base-Backbone interact. energy: -0.917
local terms energy: -34.793324
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -5.754
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: 15.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 216
Temperature: 2.816667
Total energy: -42.627772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.627772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.627772 (E_RNA)
where:
Base-Base interactions energy: -5.576
where: short stacking energy: -5.576
Base-Backbone interact. energy: -0.481
local terms energy: -36.570862
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -8.034
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: 8.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 216
Temperature: 3.200000
Total energy: -25.973995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.973995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.973995 (E_RNA)
where:
Base-Base interactions energy: -8.668
where: short stacking energy: -7.147
Base-Backbone interact. energy: 2.444
local terms energy: -19.749854
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -5.074
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: 20.650
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: 8
=====================================
Write number: 216
Temperature: 3.583333
Total energy: -25.468185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.468185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.468185 (E_RNA)
where:
Base-Base interactions energy: -5.736
where: short stacking energy: -4.114
Base-Backbone interact. energy: -0.085
local terms energy: -19.646699
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -8.895
flat angles C4'-P-C4' energy: -9.051
flat angles P-C4'-P energy: -3.116
tors. eta vs tors. theta energy: 12.737
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: 3
=====================================
Write number: 216
Temperature: 3.966667
Total energy: -8.767931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.767931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.767931 (E_RNA)
where:
Base-Base interactions energy: -7.081
where: short stacking energy: -3.391
Base-Backbone interact. energy: -1.020
local terms energy: -0.666678
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -0.873
flat angles P-C4'-P energy: 5.312
tors. eta vs tors. theta energy: 18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 216
Temperature: 4.350000
Total energy: -8.559662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.559662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.559662 (E_RNA)
where:
Base-Base interactions energy: -2.313
where: short stacking energy: -2.164
Base-Backbone interact. energy: 0.262
local terms energy: -6.508644
where:
bonds (distance) C4'-P energy: -8.729
bonds (distance) P-C4' energy: -25.180
flat angles C4'-P-C4' energy: 0.899
flat angles P-C4'-P energy: 8.428
tors. eta vs tors. theta energy: 18.075
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: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -385.790573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.790573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.790573 (E_RNA)
where:
Base-Base interactions energy: -265.127
where: short stacking energy: -127.654
Base-Backbone interact. energy: 0.130
local terms energy: -120.794352
where:
bonds (distance) C4'-P energy: -24.558
bonds (distance) P-C4' energy: -24.500
flat angles C4'-P-C4' energy: -25.908
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -38.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 217
Temperature: 1.283333
Total energy: -133.244731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.244731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.244731 (E_RNA)
where:
Base-Base interactions energy: -56.609
where: short stacking energy: -44.017
Base-Backbone interact. energy: -0.007
local terms energy: -76.628888
where:
bonds (distance) C4'-P energy: -18.991
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -8.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 217
Temperature: 1.666667
Total energy: -93.453961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.453961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.453961 (E_RNA)
where:
Base-Base interactions energy: -32.768
where: short stacking energy: -30.542
Base-Backbone interact. energy: 0.823
local terms energy: -61.508970
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -25.144
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: 5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 217
Temperature: 2.050000
Total energy: -65.909586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.909586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.909586 (E_RNA)
where:
Base-Base interactions energy: -9.235
where: short stacking energy: -9.235
Base-Backbone interact. energy: -0.568
local terms energy: -56.106032
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: 9.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 217
Temperature: 2.433333
Total energy: -58.901531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.901531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.901531 (E_RNA)
where:
Base-Base interactions energy: -10.855
where: short stacking energy: -7.288
Base-Backbone interact. energy: 0.335
local terms energy: -48.381090
where:
bonds (distance) C4'-P energy: -23.489
bonds (distance) P-C4' energy: -25.260
flat angles C4'-P-C4' energy: -6.960
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: 13.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 217
Temperature: 2.816667
Total energy: -30.307591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.307591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.307591 (E_RNA)
where:
Base-Base interactions energy: -6.289
where: short stacking energy: -6.289
Base-Backbone interact. energy: 3.257
local terms energy: -27.275419
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -3.885
flat angles P-C4'-P energy: -1.044
tors. eta vs tors. theta energy: 15.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 217
Temperature: 3.200000
Total energy: -17.890527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.890527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.890527 (E_RNA)
where:
Base-Base interactions energy: 0.010
where: short stacking energy: -2.024
Base-Backbone interact. energy: 5.758
local terms energy: -23.658808
where:
bonds (distance) C4'-P energy: -8.548
bonds (distance) P-C4' energy: -25.626
flat angles C4'-P-C4' energy: 0.786
flat angles P-C4'-P energy: -2.930
tors. eta vs tors. theta energy: 12.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 217
Temperature: 3.583333
Total energy: -19.422600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.422600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.422600 (E_RNA)
where:
Base-Base interactions energy: -6.994
where: short stacking energy: -7.283
Base-Backbone interact. energy: 5.067
local terms energy: -17.495888
where:
bonds (distance) C4'-P energy: -4.436
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -7.867
flat angles P-C4'-P energy: -2.460
tors. eta vs tors. theta energy: 14.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 217
Temperature: 3.966667
Total energy: -8.279915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.279915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.279915 (E_RNA)
where:
Base-Base interactions energy: -2.210
where: short stacking energy: -2.166
Base-Backbone interact. energy: 0.306
local terms energy: -6.376474
where:
bonds (distance) C4'-P energy: -6.154
bonds (distance) P-C4' energy: -11.381
flat angles C4'-P-C4' energy: 3.067
flat angles P-C4'-P energy: -2.408
tors. eta vs tors. theta energy: 10.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 217
Temperature: 4.350000
Total energy: -1.530291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.530291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.530291 (E_RNA)
where:
Base-Base interactions energy: 2.900
where: short stacking energy: 2.800
Base-Backbone interact. energy: 2.773
local terms energy: -7.203783
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: 12.034
flat angles P-C4'-P energy: -0.497
tors. eta vs tors. theta energy: 10.157
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: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -394.268964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.268964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.268964 (E_RNA)
where:
Base-Base interactions energy: -267.026
where: short stacking energy: -125.447
Base-Backbone interact. energy: -0.757
local terms energy: -126.486003
where:
bonds (distance) C4'-P energy: -25.339
bonds (distance) P-C4' energy: -27.139
flat angles C4'-P-C4' energy: -28.203
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -30.289
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: 2
=====================================
Write number: 218
Temperature: 1.283333
Total energy: -119.848910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.848910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.848910 (E_RNA)
where:
Base-Base interactions energy: -49.049
where: short stacking energy: -46.217
Base-Backbone interact. energy: 0.166
local terms energy: -70.966468
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -20.939
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -1.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 218
Temperature: 1.666667
Total energy: -108.011203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.011203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.011203 (E_RNA)
where:
Base-Base interactions energy: -49.393
where: short stacking energy: -35.262
Base-Backbone interact. energy: -0.452
local terms energy: -58.166441
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -23.208
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: 9.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 218
Temperature: 2.050000
Total energy: -82.616461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.616461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.616461 (E_RNA)
where:
Base-Base interactions energy: -24.881
where: short stacking energy: -21.191
Base-Backbone interact. energy: -0.268
local terms energy: -57.467048
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -20.379
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: 6.196
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: 10
=====================================
Write number: 218
Temperature: 2.433333
Total energy: -45.566738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.566738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.566738 (E_RNA)
where:
Base-Base interactions energy: -20.602
where: short stacking energy: -16.848
Base-Backbone interact. energy: 6.260
local terms energy: -31.224949
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -1.788
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: 6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 218
Temperature: 2.816667
Total energy: -36.378007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.378007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.378007 (E_RNA)
where:
Base-Base interactions energy: -14.653
where: short stacking energy: -12.475
Base-Backbone interact. energy: -0.211
local terms energy: -21.514164
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -3.449
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: 14.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 218
Temperature: 3.200000
Total energy: -24.923068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.923068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.923068 (E_RNA)
where:
Base-Base interactions energy: -7.277
where: short stacking energy: -5.298
Base-Backbone interact. energy: -0.578
local terms energy: -17.068339
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -6.755
flat angles P-C4'-P energy: 0.438
tors. eta vs tors. theta energy: 15.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 3.583333
Total energy: -10.966318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.966318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.966318 (E_RNA)
where:
Base-Base interactions energy: -5.542
where: short stacking energy: -5.542
Base-Backbone interact. energy: 0.401
local terms energy: -5.825144
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -3.052
flat angles C4'-P-C4' energy: 6.001
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: 15.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 218
Temperature: 3.966667
Total energy: -11.953813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.953813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.953813 (E_RNA)
where:
Base-Base interactions energy: -1.762
where: short stacking energy: -0.152
Base-Backbone interact. energy: 0.996
local terms energy: -11.187461
where:
bonds (distance) C4'-P energy: -7.873
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: 0.214
tors. eta vs tors. theta energy: 20.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 218
Temperature: 4.350000
Total energy: -2.647412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.647412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.647412 (E_RNA)
where:
Base-Base interactions energy: -3.026
where: short stacking energy: -3.026
Base-Backbone interact. energy: 5.444
local terms energy: -5.065437
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -6.944
flat angles C4'-P-C4' energy: -0.544
flat angles P-C4'-P energy: 6.870
tors. eta vs tors. theta energy: 12.310
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: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -383.230085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.230085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.230085 (E_RNA)
where:
Base-Base interactions energy: -251.074
where: short stacking energy: -124.730
Base-Backbone interact. energy: -0.644
local terms energy: -131.512079
where:
bonds (distance) C4'-P energy: -25.597
bonds (distance) P-C4' energy: -30.510
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -19.939
tors. eta vs tors. theta energy: -33.860
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: 2, replica: 2
=====================================
Write number: 219
Temperature: 1.283333
Total energy: -139.418788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.418788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.418788 (E_RNA)
where:
Base-Base interactions energy: -52.785
where: short stacking energy: -42.049
Base-Backbone interact. energy: 2.026
local terms energy: -88.660427
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -23.456
flat angles C4'-P-C4' energy: -22.974
flat angles P-C4'-P energy: -21.081
tors. eta vs tors. theta energy: -1.068
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: 3, replica: 5
=====================================
Write number: 219
Temperature: 1.666667
Total energy: -79.669029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.669029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.669029 (E_RNA)
where:
Base-Base interactions energy: -31.991
where: short stacking energy: -29.741
Base-Backbone interact. energy: -0.353
local terms energy: -47.324345
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -1.399
tors. eta vs tors. theta energy: -1.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 219
Temperature: 2.050000
Total energy: -58.762909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.762909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.762909 (E_RNA)
where:
Base-Base interactions energy: -8.330
where: short stacking energy: -6.362
Base-Backbone interact. energy: -0.312
local terms energy: -50.121202
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: 8.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 219
Temperature: 2.433333
Total energy: -49.692435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.692435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.692435 (E_RNA)
where:
Base-Base interactions energy: -7.325
where: short stacking energy: -7.325
Base-Backbone interact. energy: 0.944
local terms energy: -43.310886
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: 13.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 219
Temperature: 2.816667
Total energy: -37.400171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.400171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.400171 (E_RNA)
where:
Base-Base interactions energy: -11.691
where: short stacking energy: -6.319
Base-Backbone interact. energy: 2.605
local terms energy: -28.314940
where:
bonds (distance) C4'-P energy: -22.382
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -3.001
flat angles P-C4'-P energy: 1.001
tors. eta vs tors. theta energy: 18.716
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: 4
=====================================
Write number: 219
Temperature: 3.200000
Total energy: -27.379334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.379334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.379334 (E_RNA)
where:
Base-Base interactions energy: -10.652
where: short stacking energy: -10.833
Base-Backbone interact. energy: -0.788
local terms energy: -15.939154
where:
bonds (distance) C4'-P energy: -9.438
bonds (distance) P-C4' energy: -6.580
flat angles C4'-P-C4' energy: -5.173
flat angles P-C4'-P energy: -0.876
tors. eta vs tors. theta energy: 6.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 219
Temperature: 3.583333
Total energy: -9.156895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.156895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.156895 (E_RNA)
where:
Base-Base interactions energy: -0.565
where: short stacking energy: -0.565
Base-Backbone interact. energy: 0.170
local terms energy: -8.762479
where:
bonds (distance) C4'-P energy: -6.637
bonds (distance) P-C4' energy: -8.604
flat angles C4'-P-C4' energy: -1.140
flat angles P-C4'-P energy: -2.064
tors. eta vs tors. theta energy: 9.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 3.966667
Total energy: -11.676173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.676173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.676173 (E_RNA)
where:
Base-Base interactions energy: -3.792
where: short stacking energy: -2.218
Base-Backbone interact. energy: 1.802
local terms energy: -9.686483
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -3.787
flat angles P-C4'-P energy: 4.591
tors. eta vs tors. theta energy: 15.653
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: 7
=====================================
Write number: 219
Temperature: 4.350000
Total energy: 0.545449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.545449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.545449 (E_RNA)
where:
Base-Base interactions energy: -0.401
where: short stacking energy: -0.355
Base-Backbone interact. energy: 5.690
local terms energy: -4.743444
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: 9.691
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: 15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -394.528391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.528391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.528391 (E_RNA)
where:
Base-Base interactions energy: -264.293
where: short stacking energy: -121.349
Base-Backbone interact. energy: -0.388
local terms energy: -129.848172
where:
bonds (distance) C4'-P energy: -23.863
bonds (distance) P-C4' energy: -23.189
flat angles C4'-P-C4' energy: -27.791
flat angles P-C4'-P energy: -21.213
tors. eta vs tors. theta energy: -33.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 1.283333
Total energy: -153.100519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.100519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.100519 (E_RNA)
where:
Base-Base interactions energy: -71.394
where: short stacking energy: -51.311
Base-Backbone interact. energy: -0.290
local terms energy: -81.416641
where:
bonds (distance) C4'-P energy: -19.922
bonds (distance) P-C4' energy: -23.172
flat angles C4'-P-C4' energy: -25.936
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: 0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 220
Temperature: 1.666667
Total energy: -92.569575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.569575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.569575 (E_RNA)
where:
Base-Base interactions energy: -34.613
where: short stacking energy: -34.192
Base-Backbone interact. energy: -0.593
local terms energy: -57.363360
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -18.348
flat angles C4'-P-C4' energy: -9.014
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: 2.356
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: 4, replica: 9
=====================================
Write number: 220
Temperature: 2.050000
Total energy: -59.062676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.062676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.062676 (E_RNA)
where:
Base-Base interactions energy: -9.491
where: short stacking energy: -9.491
Base-Backbone interact. energy: -0.548
local terms energy: -49.024011
where:
bonds (distance) C4'-P energy: -8.824
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: 6.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 2.433333
Total energy: -49.464705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.464705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.464705 (E_RNA)
where:
Base-Base interactions energy: -15.245
where: short stacking energy: -13.294
Base-Backbone interact. energy: 1.513
local terms energy: -35.732427
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -3.355
tors. eta vs tors. theta energy: 10.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 220
Temperature: 2.816667
Total energy: -37.247085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.247085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.247085 (E_RNA)
where:
Base-Base interactions energy: -12.127
where: short stacking energy: -6.613
Base-Backbone interact. energy: 1.407
local terms energy: -26.527058
where:
bonds (distance) C4'-P energy: -7.511
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -10.669
flat angles P-C4'-P energy: -1.600
tors. eta vs tors. theta energy: 8.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 220
Temperature: 3.200000
Total energy: -26.254014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.254014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.254014 (E_RNA)
where:
Base-Base interactions energy: -2.911
where: short stacking energy: 1.590
Base-Backbone interact. energy: 0.096
local terms energy: -23.438357
where:
bonds (distance) C4'-P energy: -9.704
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -7.735
flat angles P-C4'-P energy: -1.964
tors. eta vs tors. theta energy: 11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 3.583333
Total energy: -19.877798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.877798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.877798 (E_RNA)
where:
Base-Base interactions energy: -1.921
where: short stacking energy: -0.043
Base-Backbone interact. energy: 1.999
local terms energy: -19.956162
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -8.577
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -1.316
tors. eta vs tors. theta energy: 17.307
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: 7
=====================================
Write number: 220
Temperature: 3.966667
Total energy: -11.079126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.079126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.079126 (E_RNA)
where:
Base-Base interactions energy: -1.376
where: short stacking energy: -1.376
Base-Backbone interact. energy: 3.335
local terms energy: -13.038097
where:
bonds (distance) C4'-P energy: -3.297
bonds (distance) P-C4' energy: -9.583
flat angles C4'-P-C4' energy: -9.146
flat angles P-C4'-P energy: -2.008
tors. eta vs tors. theta energy: 10.996
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: 6
=====================================
Write number: 220
Temperature: 4.350000
Total energy: 1.008860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.008860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.008860 (E_RNA)
where:
Base-Base interactions energy: -1.624
where: short stacking energy: -5.124
Base-Backbone interact. energy: 9.094
local terms energy: -6.461552
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -3.625
flat angles P-C4'-P energy: 3.232
tors. eta vs tors. theta energy: 18.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -384.008403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.008403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.008403 (E_RNA)
where:
Base-Base interactions energy: -259.095
where: short stacking energy: -112.074
Base-Backbone interact. energy: -0.449
local terms energy: -124.464667
where:
bonds (distance) C4'-P energy: -23.013
bonds (distance) P-C4' energy: -26.218
flat angles C4'-P-C4' energy: -24.742
flat angles P-C4'-P energy: -16.741
tors. eta vs tors. theta energy: -33.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 1.283333
Total energy: -171.240548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.240548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.240548 (E_RNA)
where:
Base-Base interactions energy: -87.577
where: short stacking energy: -56.927
Base-Backbone interact. energy: -0.034
local terms energy: -83.629102
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -24.671
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -7.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 221
Temperature: 1.666667
Total energy: -90.485142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.485142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.485142 (E_RNA)
where:
Base-Base interactions energy: -42.961
where: short stacking energy: -33.100
Base-Backbone interact. energy: -0.164
local terms energy: -47.360206
where:
bonds (distance) C4'-P energy: -18.803
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -0.795
tors. eta vs tors. theta energy: 6.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 221
Temperature: 2.050000
Total energy: -62.255793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.255793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.255793 (E_RNA)
where:
Base-Base interactions energy: -14.883
where: short stacking energy: -12.746
Base-Backbone interact. energy: 2.108
local terms energy: -49.481069
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: 15.487
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: 3
=====================================
Write number: 221
Temperature: 2.433333
Total energy: -60.773834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.773834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.773834 (E_RNA)
where:
Base-Base interactions energy: -20.252
where: short stacking energy: -18.352
Base-Backbone interact. energy: 2.735
local terms energy: -43.256962
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: 11.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 221
Temperature: 2.816667
Total energy: -41.602520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.602520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.602520 (E_RNA)
where:
Base-Base interactions energy: -14.038
where: short stacking energy: -12.043
Base-Backbone interact. energy: 3.915
local terms energy: -31.479313
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -8.469
flat angles P-C4'-P energy: -6.726
tors. eta vs tors. theta energy: 10.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 221
Temperature: 3.200000
Total energy: -22.993980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.993980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.993980 (E_RNA)
where:
Base-Base interactions energy: -8.225
where: short stacking energy: -9.691
Base-Backbone interact. energy: 4.897
local terms energy: -19.665429
where:
bonds (distance) C4'-P energy: -7.623
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: 2.034
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: 14.732
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: 4
=====================================
Write number: 221
Temperature: 3.583333
Total energy: -13.927455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.927455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.927455 (E_RNA)
where:
Base-Base interactions energy: -8.012
where: short stacking energy: -4.415
Base-Backbone interact. energy: 2.378
local terms energy: -8.293685
where:
bonds (distance) C4'-P energy: -6.848
bonds (distance) P-C4' energy: -8.104
flat angles C4'-P-C4' energy: -8.402
flat angles P-C4'-P energy: 2.443
tors. eta vs tors. theta energy: 12.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 221
Temperature: 3.966667
Total energy: -15.714947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.714947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.714947 (E_RNA)
where:
Base-Base interactions energy: -3.071
where: short stacking energy: -3.022
Base-Backbone interact. energy: 1.109
local terms energy: -13.753189
where:
bonds (distance) C4'-P energy: -7.385
bonds (distance) P-C4' energy: -18.804
flat angles C4'-P-C4' energy: 0.532
flat angles P-C4'-P energy: -1.302
tors. eta vs tors. theta energy: 13.207
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: 6
=====================================
Write number: 221
Temperature: 4.350000
Total energy: -5.236071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.236071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.236071 (E_RNA)
where:
Base-Base interactions energy: -4.352
where: short stacking energy: -1.592
Base-Backbone interact. energy: 0.328
local terms energy: -1.212542
where:
bonds (distance) C4'-P energy: -0.950
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: 4.852
flat angles P-C4'-P energy: -4.103
tors. eta vs tors. theta energy: 10.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -387.432406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.432406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.432406 (E_RNA)
where:
Base-Base interactions energy: -254.834
where: short stacking energy: -113.628
Base-Backbone interact. energy: -0.147
local terms energy: -132.451338
where:
bonds (distance) C4'-P energy: -26.300
bonds (distance) P-C4' energy: -25.012
flat angles C4'-P-C4' energy: -23.519
flat angles P-C4'-P energy: -21.414
tors. eta vs tors. theta energy: -36.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 222
Temperature: 1.283333
Total energy: -131.825323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.825323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.825323 (E_RNA)
where:
Base-Base interactions energy: -49.102
where: short stacking energy: -39.118
Base-Backbone interact. energy: -0.298
local terms energy: -82.425117
where:
bonds (distance) C4'-P energy: -22.670
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -25.579
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -6.007
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: 5
=====================================
Write number: 222
Temperature: 1.666667
Total energy: -85.385760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.385760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.385760 (E_RNA)
where:
Base-Base interactions energy: -24.960
where: short stacking energy: -24.167
Base-Backbone interact. energy: 0.758
local terms energy: -61.184329
where:
bonds (distance) C4'-P energy: -21.262
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: 6.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 222
Temperature: 2.050000
Total energy: -59.893526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.893526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.893526 (E_RNA)
where:
Base-Base interactions energy: -18.378
where: short stacking energy: -14.271
Base-Backbone interact. energy: -0.578
local terms energy: -40.937530
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -19.407
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -2.644
tors. eta vs tors. theta energy: 11.135
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: 222
Temperature: 2.433333
Total energy: -48.356088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.356088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.356088 (E_RNA)
where:
Base-Base interactions energy: -11.941
where: short stacking energy: -7.595
Base-Backbone interact. energy: 0.004
local terms energy: -36.418931
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -0.535
tors. eta vs tors. theta energy: 13.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 222
Temperature: 2.816667
Total energy: -35.027166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.027166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.027166 (E_RNA)
where:
Base-Base interactions energy: -12.555
where: short stacking energy: -5.816
Base-Backbone interact. energy: 4.267
local terms energy: -26.739812
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -4.565
tors. eta vs tors. theta energy: 15.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 222
Temperature: 3.200000
Total energy: -30.541194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.541194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.541194 (E_RNA)
where:
Base-Base interactions energy: 1.578
where: short stacking energy: 1.578
Base-Backbone interact. energy: 1.297
local terms energy: -33.415294
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -5.075
tors. eta vs tors. theta energy: 15.329
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: 10
=====================================
Write number: 222
Temperature: 3.583333
Total energy: -13.819722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.819722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.819722 (E_RNA)
where:
Base-Base interactions energy: -7.106
where: short stacking energy: -6.494
Base-Backbone interact. energy: -0.532
local terms energy: -6.181702
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -5.565
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: 7.013
tors. eta vs tors. theta energy: 12.983
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: 6
=====================================
Write number: 222
Temperature: 3.966667
Total energy: -9.058647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.058647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.058647 (E_RNA)
where:
Base-Base interactions energy: -11.709
where: short stacking energy: -9.873
Base-Backbone interact. energy: 1.287
local terms energy: 1.363124
where:
bonds (distance) C4'-P energy: -5.345
bonds (distance) P-C4' energy: -5.676
flat angles C4'-P-C4' energy: -3.969
flat angles P-C4'-P energy: -1.706
tors. eta vs tors. theta energy: 18.059
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: 7
=====================================
Write number: 222
Temperature: 4.350000
Total energy: -7.154109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.154109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.154109 (E_RNA)
where:
Base-Base interactions energy: -3.702
where: short stacking energy: -0.747
Base-Backbone interact. energy: 7.443
local terms energy: -10.895184
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -10.712
flat angles C4'-P-C4' energy: -6.549
flat angles P-C4'-P energy: -2.960
tors. eta vs tors. theta energy: 19.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -386.275805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.275805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.275805 (E_RNA)
where:
Base-Base interactions energy: -256.943
where: short stacking energy: -120.836
Base-Backbone interact. energy: 1.360
local terms energy: -130.693306
where:
bonds (distance) C4'-P energy: -25.986
bonds (distance) P-C4' energy: -24.664
flat angles C4'-P-C4' energy: -28.745
flat angles P-C4'-P energy: -16.146
tors. eta vs tors. theta energy: -35.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 223
Temperature: 1.283333
Total energy: -138.921209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.921209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.921209 (E_RNA)
where:
Base-Base interactions energy: -62.074
where: short stacking energy: -51.932
Base-Backbone interact. energy: 0.422
local terms energy: -77.268790
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -12.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 223
Temperature: 1.666667
Total energy: -97.566098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.566098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.566098 (E_RNA)
where:
Base-Base interactions energy: -34.094
where: short stacking energy: -32.734
Base-Backbone interact. energy: -0.163
local terms energy: -63.309142
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -21.603
flat angles C4'-P-C4' energy: -21.030
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: 4.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 223
Temperature: 2.050000
Total energy: -64.987468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.987468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.987468 (E_RNA)
where:
Base-Base interactions energy: -18.999
where: short stacking energy: -15.428
Base-Backbone interact. energy: -0.440
local terms energy: -45.548235
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: 1.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 2.433333
Total energy: -45.734293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.734293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.734293 (E_RNA)
where:
Base-Base interactions energy: -15.403
where: short stacking energy: -8.582
Base-Backbone interact. energy: -0.400
local terms energy: -29.931203
where:
bonds (distance) C4'-P energy: -3.548
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -3.683
tors. eta vs tors. theta energy: 11.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 223
Temperature: 2.816667
Total energy: -37.334216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.334216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.334216 (E_RNA)
where:
Base-Base interactions energy: -0.531
where: short stacking energy: 2.520
Base-Backbone interact. energy: 4.727
local terms energy: -41.530662
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -23.935
flat angles C4'-P-C4' energy: -2.404
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: 11.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 223
Temperature: 3.200000
Total energy: -26.330727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.330727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.330727 (E_RNA)
where:
Base-Base interactions energy: 0.284
where: short stacking energy: 0.745
Base-Backbone interact. energy: -0.248
local terms energy: -26.366769
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -5.020
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: 18.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 223
Temperature: 3.583333
Total energy: -16.017345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.017345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.017345 (E_RNA)
where:
Base-Base interactions energy: -8.860
where: short stacking energy: -6.560
Base-Backbone interact. energy: -0.450
local terms energy: -6.707030
where:
bonds (distance) C4'-P energy: -1.696
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: 1.415
tors. eta vs tors. theta energy: 20.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 223
Temperature: 3.966667
Total energy: -23.646514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.646514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.646514 (E_RNA)
where:
Base-Base interactions energy: -5.640
where: short stacking energy: -7.540
Base-Backbone interact. energy: -0.121
local terms energy: -17.885256
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -6.783
flat angles P-C4'-P energy: -3.341
tors. eta vs tors. theta energy: 13.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 223
Temperature: 4.350000
Total energy: -9.201813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.201813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.201813 (E_RNA)
where:
Base-Base interactions energy: -3.670
where: short stacking energy: -0.559
Base-Backbone interact. energy: 2.873
local terms energy: -8.404371
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: 3.328
flat angles P-C4'-P energy: -2.558
tors. eta vs tors. theta energy: 12.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -384.581652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.581652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.581652 (E_RNA)
where:
Base-Base interactions energy: -261.368
where: short stacking energy: -119.685
Base-Backbone interact. energy: 2.284
local terms energy: -125.497937
where:
bonds (distance) C4'-P energy: -24.920
bonds (distance) P-C4' energy: -23.919
flat angles C4'-P-C4' energy: -25.655
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -35.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 224
Temperature: 1.283333
Total energy: -129.127236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.127236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.127236 (E_RNA)
where:
Base-Base interactions energy: -53.297
where: short stacking energy: -34.499
Base-Backbone interact. energy: -0.134
local terms energy: -75.696519
where:
bonds (distance) C4'-P energy: -22.632
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.666667
Total energy: -90.648549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.648549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.648549 (E_RNA)
where:
Base-Base interactions energy: -25.237
where: short stacking energy: -23.408
Base-Backbone interact. energy: -0.548
local terms energy: -64.863064
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -23.302
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: 1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 224
Temperature: 2.050000
Total energy: -61.947051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.947051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.947051 (E_RNA)
where:
Base-Base interactions energy: -21.533
where: short stacking energy: -16.981
Base-Backbone interact. energy: -0.174
local terms energy: -40.240380
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -0.431
tors. eta vs tors. theta energy: 7.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 2.433333
Total energy: -42.121894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.121894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.121894 (E_RNA)
where:
Base-Base interactions energy: -10.360
where: short stacking energy: -10.360
Base-Backbone interact. energy: -0.011
local terms energy: -31.751069
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: 3.534
tors. eta vs tors. theta energy: 9.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 224
Temperature: 2.816667
Total energy: -35.127810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.127810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.127810 (E_RNA)
where:
Base-Base interactions energy: -5.159
where: short stacking energy: -4.053
Base-Backbone interact. energy: -0.531
local terms energy: -29.437793
where:
bonds (distance) C4'-P energy: -10.064
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -4.396
tors. eta vs tors. theta energy: 11.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 224
Temperature: 3.200000
Total energy: -28.936351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.936351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.936351 (E_RNA)
where:
Base-Base interactions energy: -9.896
where: short stacking energy: -8.364
Base-Backbone interact. energy: -0.716
local terms energy: -18.324340
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -19.218
flat angles C4'-P-C4' energy: 2.286
flat angles P-C4'-P energy: 3.273
tors. eta vs tors. theta energy: 12.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 224
Temperature: 3.583333
Total energy: -13.492017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.492017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.492017 (E_RNA)
where:
Base-Base interactions energy: 1.426
where: short stacking energy: -2.818
Base-Backbone interact. energy: -1.590
local terms energy: -13.328696
where:
bonds (distance) C4'-P energy: -8.785
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -4.357
flat angles P-C4'-P energy: 4.090
tors. eta vs tors. theta energy: 15.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 224
Temperature: 3.966667
Total energy: -5.151358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.151358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.151358 (E_RNA)
where:
Base-Base interactions energy: -3.058
where: short stacking energy: -0.362
Base-Backbone interact. energy: 2.641
local terms energy: -4.734008
where:
bonds (distance) C4'-P energy: -6.051
bonds (distance) P-C4' energy: -8.453
flat angles C4'-P-C4' energy: 3.365
flat angles P-C4'-P energy: -3.199
tors. eta vs tors. theta energy: 9.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 224
Temperature: 4.350000
Total energy: 1.048964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.048964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.048964 (E_RNA)
where:
Base-Base interactions energy: -6.042
where: short stacking energy: -2.873
Base-Backbone interact. energy: 4.812
local terms energy: 2.278144
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: 20.438
flat angles P-C4'-P energy: 0.887
tors. eta vs tors. theta energy: 18.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -387.709937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.709937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.709937 (E_RNA)
where:
Base-Base interactions energy: -254.440
where: short stacking energy: -120.508
Base-Backbone interact. energy: -0.097
local terms energy: -133.172583
where:
bonds (distance) C4'-P energy: -26.289
bonds (distance) P-C4' energy: -24.408
flat angles C4'-P-C4' energy: -29.895
flat angles P-C4'-P energy: -20.858
tors. eta vs tors. theta energy: -31.723
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: 2, replica: 2
=====================================
Write number: 225
Temperature: 1.283333
Total energy: -153.302739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.302739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.302739 (E_RNA)
where:
Base-Base interactions energy: -74.931
where: short stacking energy: -52.006
Base-Backbone interact. energy: 0.290
local terms energy: -78.661600
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -26.387
flat angles C4'-P-C4' energy: -22.587
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -3.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.666667
Total energy: -85.036685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.036685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.036685 (E_RNA)
where:
Base-Base interactions energy: -26.123
where: short stacking energy: -18.061
Base-Backbone interact. energy: -0.434
local terms energy: -58.479723
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: 7.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 225
Temperature: 2.050000
Total energy: -63.237514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.237514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.237514 (E_RNA)
where:
Base-Base interactions energy: -12.308
where: short stacking energy: -11.377
Base-Backbone interact. energy: 1.028
local terms energy: -51.958069
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -18.267
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: 5.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 225
Temperature: 2.433333
Total energy: -53.237405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.237405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.237405 (E_RNA)
where:
Base-Base interactions energy: -12.878
where: short stacking energy: -12.206
Base-Backbone interact. energy: -0.499
local terms energy: -39.859631
where:
bonds (distance) C4'-P energy: -22.992
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -4.792
tors. eta vs tors. theta energy: 11.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 225
Temperature: 2.816667
Total energy: -30.128151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.128151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.128151 (E_RNA)
where:
Base-Base interactions energy: -1.442
where: short stacking energy: -1.184
Base-Backbone interact. energy: -0.986
local terms energy: -27.699567
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -5.580
flat angles P-C4'-P energy: -2.242
tors. eta vs tors. theta energy: 17.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 225
Temperature: 3.200000
Total energy: -31.038330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.038330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.038330 (E_RNA)
where:
Base-Base interactions energy: -18.091
where: short stacking energy: -16.417
Base-Backbone interact. energy: 0.990
local terms energy: -13.937807
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -5.192
flat angles P-C4'-P energy: 5.464
tors. eta vs tors. theta energy: 14.365
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: 225
Temperature: 3.583333
Total energy: -15.625642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.625642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.625642 (E_RNA)
where:
Base-Base interactions energy: -6.519
where: short stacking energy: -6.519
Base-Backbone interact. energy: 0.379
local terms energy: -9.484706
where:
bonds (distance) C4'-P energy: 0.250
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -6.790
flat angles P-C4'-P energy: 4.502
tors. eta vs tors. theta energy: 14.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 225
Temperature: 3.966667
Total energy: -5.866637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.866637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.866637 (E_RNA)
where:
Base-Base interactions energy: -1.935
where: short stacking energy: 0.200
Base-Backbone interact. energy: 0.610
local terms energy: -4.541278
where:
bonds (distance) C4'-P energy: -4.219
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: 0.367
flat angles P-C4'-P energy: -3.524
tors. eta vs tors. theta energy: 16.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 225
Temperature: 4.350000
Total energy: -0.237881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.237881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.237881 (E_RNA)
where:
Base-Base interactions energy: 0.216
where: short stacking energy: 0.216
Base-Backbone interact. energy: -0.675
local terms energy: 0.220404
where:
bonds (distance) C4'-P energy: -8.005
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: 6.726
flat angles P-C4'-P energy: -1.947
tors. eta vs tors. theta energy: 17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -384.167105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.167105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.167105 (E_RNA)
where:
Base-Base interactions energy: -255.135
where: short stacking energy: -122.760
Base-Backbone interact. energy: -0.446
local terms energy: -128.586171
where:
bonds (distance) C4'-P energy: -22.818
bonds (distance) P-C4' energy: -25.914
flat angles C4'-P-C4' energy: -26.081
flat angles P-C4'-P energy: -20.719
tors. eta vs tors. theta energy: -33.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 1.283333
Total energy: -190.839036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.839036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.839036 (E_RNA)
where:
Base-Base interactions energy: -118.909
where: short stacking energy: -46.968
Base-Backbone interact. energy: -0.272
local terms energy: -71.658640
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -24.575
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -6.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.666667
Total energy: -85.940560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.940560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.940560 (E_RNA)
where:
Base-Base interactions energy: -32.323
where: short stacking energy: -28.862
Base-Backbone interact. energy: -0.893
local terms energy: -52.725012
where:
bonds (distance) C4'-P energy: -23.342
bonds (distance) P-C4' energy: -15.425
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -3.284
tors. eta vs tors. theta energy: 2.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 2.050000
Total energy: -65.688838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.688838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.688838 (E_RNA)
where:
Base-Base interactions energy: -13.660
where: short stacking energy: -10.637
Base-Backbone interact. energy: 1.375
local terms energy: -53.404031
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -20.329
flat angles C4'-P-C4' energy: -8.920
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: 7.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 226
Temperature: 2.433333
Total energy: -43.529294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.529294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.529294 (E_RNA)
where:
Base-Base interactions energy: -6.924
where: short stacking energy: -7.224
Base-Backbone interact. energy: -0.696
local terms energy: -35.909328
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -5.635
flat angles P-C4'-P energy: -1.711
tors. eta vs tors. theta energy: 6.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 226
Temperature: 2.816667
Total energy: -35.640507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.640507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.640507 (E_RNA)
where:
Base-Base interactions energy: -12.059
where: short stacking energy: -11.883
Base-Backbone interact. energy: 5.457
local terms energy: -29.039092
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -2.756
flat angles P-C4'-P energy: 0.262
tors. eta vs tors. theta energy: 3.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 226
Temperature: 3.200000
Total energy: -21.408476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.408476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.408476 (E_RNA)
where:
Base-Base interactions energy: -3.930
where: short stacking energy: -3.189
Base-Backbone interact. energy: 4.606
local terms energy: -22.084826
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: 0.629
tors. eta vs tors. theta energy: 15.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 3.583333
Total energy: -15.220528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.220528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.220528 (E_RNA)
where:
Base-Base interactions energy: -6.544
where: short stacking energy: -5.400
Base-Backbone interact. energy: 2.969
local terms energy: -11.645487
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: 2.062
flat angles P-C4'-P energy: -0.028
tors. eta vs tors. theta energy: 12.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 226
Temperature: 3.966667
Total energy: -10.462091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.462091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.462091 (E_RNA)
where:
Base-Base interactions energy: -0.305
where: short stacking energy: 0.100
Base-Backbone interact. energy: 5.146
local terms energy: -15.302559
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -6.788
flat angles C4'-P-C4' energy: -8.941
flat angles P-C4'-P energy: 1.001
tors. eta vs tors. theta energy: 12.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 226
Temperature: 4.350000
Total energy: -3.141326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.141326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.141326 (E_RNA)
where:
Base-Base interactions energy: -3.035
where: short stacking energy: -2.526
Base-Backbone interact. energy: -0.225
local terms energy: 0.119154
where:
bonds (distance) C4'-P energy: -24.213
bonds (distance) P-C4' energy: -1.797
flat angles C4'-P-C4' energy: -5.861
flat angles P-C4'-P energy: 13.887
tors. eta vs tors. theta energy: 18.103
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: 227
Temperature: 0.900000
Total energy: -384.393468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.393468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.393468 (E_RNA)
where:
Base-Base interactions energy: -258.026
where: short stacking energy: -127.802
Base-Backbone interact. energy: -0.089
local terms energy: -126.278544
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -26.779
flat angles C4'-P-C4' energy: -26.003
flat angles P-C4'-P energy: -19.123
tors. eta vs tors. theta energy: -32.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 1.283333
Total energy: -216.517841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.517841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.517841 (E_RNA)
where:
Base-Base interactions energy: -134.732
where: short stacking energy: -70.639
Base-Backbone interact. energy: -0.135
local terms energy: -81.651491
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -25.957
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -17.861
tors. eta vs tors. theta energy: -7.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.666667
Total energy: -85.989725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.989725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.989725 (E_RNA)
where:
Base-Base interactions energy: -22.039
where: short stacking energy: -17.776
Base-Backbone interact. energy: 1.070
local terms energy: -65.021258
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -25.632
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: 8.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 2.050000
Total energy: -57.999737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.999737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.999737 (E_RNA)
where:
Base-Base interactions energy: -12.387
where: short stacking energy: -10.584
Base-Backbone interact. energy: -0.389
local terms energy: -45.223663
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: 9.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 227
Temperature: 2.433333
Total energy: -52.960679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.960679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.960679 (E_RNA)
where:
Base-Base interactions energy: -8.604
where: short stacking energy: -3.363
Base-Backbone interact. energy: 2.389
local terms energy: -46.745825
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: 17.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 227
Temperature: 2.816667
Total energy: -36.144062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.144062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.144062 (E_RNA)
where:
Base-Base interactions energy: -7.317
where: short stacking energy: -2.650
Base-Backbone interact. energy: 3.240
local terms energy: -32.067425
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: 16.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 227
Temperature: 3.200000
Total energy: -23.480892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.480892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.480892 (E_RNA)
where:
Base-Base interactions energy: -5.402
where: short stacking energy: -1.053
Base-Backbone interact. energy: 2.540
local terms energy: -20.618518
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -4.567
flat angles P-C4'-P energy: -4.745
tors. eta vs tors. theta energy: 17.048
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: 8, replica: 10
=====================================
Write number: 227
Temperature: 3.583333
Total energy: -13.767307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.767307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.767307 (E_RNA)
where:
Base-Base interactions energy: -7.530
where: short stacking energy: -5.434
Base-Backbone interact. energy: 1.440
local terms energy: -7.677323
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -7.615
flat angles C4'-P-C4' energy: -3.041
flat angles P-C4'-P energy: 3.642
tors. eta vs tors. theta energy: 17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 227
Temperature: 3.966667
Total energy: -15.063250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.063250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.063250 (E_RNA)
where:
Base-Base interactions energy: -2.528
where: short stacking energy: -0.675
Base-Backbone interact. energy: 2.018
local terms energy: -14.553236
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: 4.649
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: 10.679
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: 8
=====================================
Write number: 227
Temperature: 4.350000
Total energy: -7.891339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.891339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.891339 (E_RNA)
where:
Base-Base interactions energy: 0.929
where: short stacking energy: -0.136
Base-Backbone interact. energy: 2.766
local terms energy: -11.586591
where:
bonds (distance) C4'-P energy: -7.644
bonds (distance) P-C4' energy: -21.079
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: 13.302
tors. eta vs tors. theta energy: 15.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -373.902039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.902039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.902039 (E_RNA)
where:
Base-Base interactions energy: -254.443
where: short stacking energy: -118.381
Base-Backbone interact. energy: -0.398
local terms energy: -119.061610
where:
bonds (distance) C4'-P energy: -26.333
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -25.055
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -34.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 228
Temperature: 1.283333
Total energy: -215.894921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.894921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.894921 (E_RNA)
where:
Base-Base interactions energy: -120.452
where: short stacking energy: -66.476
Base-Backbone interact. energy: -0.583
local terms energy: -94.860356
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -22.074
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -21.353
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: 3
=====================================
Write number: 228
Temperature: 1.666667
Total energy: -87.297887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.297887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.297887 (E_RNA)
where:
Base-Base interactions energy: -30.782
where: short stacking energy: -30.782
Base-Backbone interact. energy: -0.577
local terms energy: -55.938894
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -19.772
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: 6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 228
Temperature: 2.050000
Total energy: -66.807876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.807876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.807876 (E_RNA)
where:
Base-Base interactions energy: -18.149
where: short stacking energy: -16.172
Base-Backbone interact. energy: 0.241
local terms energy: -48.900372
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -24.018
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: 9.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 228
Temperature: 2.433333
Total energy: -48.173345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.173345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.173345 (E_RNA)
where:
Base-Base interactions energy: -14.648
where: short stacking energy: -13.743
Base-Backbone interact. energy: -0.409
local terms energy: -33.116556
where:
bonds (distance) C4'-P energy: -0.306
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: 13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 228
Temperature: 2.816667
Total energy: -31.465336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.465336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.465336 (E_RNA)
where:
Base-Base interactions energy: -7.786
where: short stacking energy: -4.015
Base-Backbone interact. energy: 1.735
local terms energy: -25.413976
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -0.366
tors. eta vs tors. theta energy: 14.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 228
Temperature: 3.200000
Total energy: -26.842698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.842698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.842698 (E_RNA)
where:
Base-Base interactions energy: -6.457
where: short stacking energy: -4.209
Base-Backbone interact. energy: 0.022
local terms energy: -20.407432
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -7.365
flat angles P-C4'-P energy: 5.847
tors. eta vs tors. theta energy: 7.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 228
Temperature: 3.583333
Total energy: -13.536979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.536979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.536979 (E_RNA)
where:
Base-Base interactions energy: -4.791
where: short stacking energy: 0.493
Base-Backbone interact. energy: 3.285
local terms energy: -12.031379
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: 2.830
flat angles P-C4'-P energy: -1.716
tors. eta vs tors. theta energy: 14.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 228
Temperature: 3.966667
Total energy: -8.808426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.808426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.808426 (E_RNA)
where:
Base-Base interactions energy: -8.315
where: short stacking energy: -4.535
Base-Backbone interact. energy: 2.567
local terms energy: -3.060205
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: 9.009
flat angles P-C4'-P energy: 4.104
tors. eta vs tors. theta energy: 12.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 4.350000
Total energy: -8.596082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.596082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.596082 (E_RNA)
where:
Base-Base interactions energy: 0.047
where: short stacking energy: 0.661
Base-Backbone interact. energy: 1.994
local terms energy: -10.636862
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: 0.588
flat angles P-C4'-P energy: -3.642
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: 1, replica: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -384.463566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.463566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.463566 (E_RNA)
where:
Base-Base interactions energy: -255.337
where: short stacking energy: -118.812
Base-Backbone interact. energy: -1.001
local terms energy: -128.124887
where:
bonds (distance) C4'-P energy: -23.671
bonds (distance) P-C4' energy: -29.333
flat angles C4'-P-C4' energy: -26.105
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -34.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 1.283333
Total energy: -216.149195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.149195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.149195 (E_RNA)
where:
Base-Base interactions energy: -134.373
where: short stacking energy: -70.287
Base-Backbone interact. energy: -1.233
local terms energy: -80.543279
where:
bonds (distance) C4'-P energy: -25.063
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -10.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 229
Temperature: 1.666667
Total energy: -82.793278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.793278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.793278 (E_RNA)
where:
Base-Base interactions energy: -23.700
where: short stacking energy: -18.757
Base-Backbone interact. energy: -0.177
local terms energy: -58.917099
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -20.999
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: 7.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 229
Temperature: 2.050000
Total energy: -60.583926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.583926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.583926 (E_RNA)
where:
Base-Base interactions energy: -18.788
where: short stacking energy: -18.382
Base-Backbone interact. energy: -0.501
local terms energy: -41.294509
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: 8.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 229
Temperature: 2.433333
Total energy: -52.360589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.360589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.360589 (E_RNA)
where:
Base-Base interactions energy: -30.019
where: short stacking energy: -24.721
Base-Backbone interact. energy: -0.770
local terms energy: -21.570667
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -9.712
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: 8.720
tors. eta vs tors. theta energy: 5.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 229
Temperature: 2.816667
Total energy: -33.576415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.576415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.576415 (E_RNA)
where:
Base-Base interactions energy: -5.797
where: short stacking energy: -4.805
Base-Backbone interact. energy: -0.476
local terms energy: -27.303228
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -2.210
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: 14.787
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: 229
Temperature: 3.200000
Total energy: -18.377711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.377711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.377711 (E_RNA)
where:
Base-Base interactions energy: -4.143
where: short stacking energy: -4.143
Base-Backbone interact. energy: -1.079
local terms energy: -13.155676
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -4.478
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -0.164
tors. eta vs tors. theta energy: 19.620
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: 229
Temperature: 3.583333
Total energy: -21.538345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.538345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.538345 (E_RNA)
where:
Base-Base interactions energy: -0.236
where: short stacking energy: -1.110
Base-Backbone interact. energy: -0.352
local terms energy: -20.950498
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: 5.468
tors. eta vs tors. theta energy: 12.374
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: 10
=====================================
Write number: 229
Temperature: 3.966667
Total energy: -5.263127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.263127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.263127 (E_RNA)
where:
Base-Base interactions energy: -1.258
where: short stacking energy: 0.664
Base-Backbone interact. energy: -0.610
local terms energy: -3.394642
where:
bonds (distance) C4'-P energy: -8.072
bonds (distance) P-C4' energy: -8.393
flat angles C4'-P-C4' energy: 2.108
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: 17.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 229
Temperature: 4.350000
Total energy: -22.184300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.184300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.184300 (E_RNA)
where:
Base-Base interactions energy: -5.619
where: short stacking energy: -4.870
Base-Backbone interact. energy: -0.154
local terms energy: -16.411040
where:
bonds (distance) C4'-P energy: -10.710
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -3.608
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: 16.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -379.482315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.482315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.482315 (E_RNA)
where:
Base-Base interactions energy: -255.154
where: short stacking energy: -116.768
Base-Backbone interact. energy: -1.943
local terms energy: -122.385316
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -28.610
flat angles P-C4'-P energy: -17.365
tors. eta vs tors. theta energy: -36.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 230
Temperature: 1.283333
Total energy: -222.343054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.343054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.343054 (E_RNA)
where:
Base-Base interactions energy: -137.561
where: short stacking energy: -59.704
Base-Backbone interact. energy: -0.455
local terms energy: -84.327277
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -25.302
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 230
Temperature: 1.666667
Total energy: -77.674653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.674653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.674653 (E_RNA)
where:
Base-Base interactions energy: -26.738
where: short stacking energy: -21.486
Base-Backbone interact. energy: 0.068
local terms energy: -51.003970
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -24.447
flat angles C4'-P-C4' energy: -8.597
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: 8.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 2.050000
Total energy: -63.239616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.239616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.239616 (E_RNA)
where:
Base-Base interactions energy: -15.644
where: short stacking energy: -14.142
Base-Backbone interact. energy: 1.562
local terms energy: -49.158182
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: 8.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 230
Temperature: 2.433333
Total energy: -45.656643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.656643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.656643 (E_RNA)
where:
Base-Base interactions energy: -18.975
where: short stacking energy: -12.696
Base-Backbone interact. energy: 0.100
local terms energy: -26.781752
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -5.485
flat angles P-C4'-P energy: -2.618
tors. eta vs tors. theta energy: 16.097
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: 6, replica: 9
=====================================
Write number: 230
Temperature: 2.816667
Total energy: -30.927882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.927882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.927882 (E_RNA)
where:
Base-Base interactions energy: -6.873
where: short stacking energy: -5.796
Base-Backbone interact. energy: 3.633
local terms energy: -27.688350
where:
bonds (distance) C4'-P energy: -8.989
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: 0.018
tors. eta vs tors. theta energy: 12.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 230
Temperature: 3.200000
Total energy: -20.674508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.674508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.674508 (E_RNA)
where:
Base-Base interactions energy: -2.744
where: short stacking energy: -2.701
Base-Backbone interact. energy: -0.282
local terms energy: -17.648498
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: 8.360
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: 5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 230
Temperature: 3.583333
Total energy: -11.447281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.447281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.447281 (E_RNA)
where:
Base-Base interactions energy: -7.803
where: short stacking energy: -4.205
Base-Backbone interact. energy: 2.608
local terms energy: -6.251751
where:
bonds (distance) C4'-P energy: -3.828
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: 0.313
flat angles P-C4'-P energy: -3.613
tors. eta vs tors. theta energy: 13.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 230
Temperature: 3.966667
Total energy: -18.337737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.337737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.337737 (E_RNA)
where:
Base-Base interactions energy: -11.704
where: short stacking energy: -7.978
Base-Backbone interact. energy: 3.165
local terms energy: -9.798831
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: 6.664
flat angles P-C4'-P energy: 3.753
tors. eta vs tors. theta energy: 17.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 230
Temperature: 4.350000
Total energy: -8.230294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.230294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.230294 (E_RNA)
where:
Base-Base interactions energy: -7.892
where: short stacking energy: -3.044
Base-Backbone interact. energy: 14.958
local terms energy: -15.296221
where:
bonds (distance) C4'-P energy: -18.360
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -8.105
flat angles P-C4'-P energy: 9.376
tors. eta vs tors. theta energy: 15.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -383.636510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.636510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.636510 (E_RNA)
where:
Base-Base interactions energy: -258.712
where: short stacking energy: -119.004
Base-Backbone interact. energy: -0.916
local terms energy: -124.008032
where:
bonds (distance) C4'-P energy: -24.715
bonds (distance) P-C4' energy: -23.912
flat angles C4'-P-C4' energy: -25.667
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -34.493
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: 2
=====================================
Write number: 231
Temperature: 1.283333
Total energy: -237.165528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.165528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.165528 (E_RNA)
where:
Base-Base interactions energy: -152.252
where: short stacking energy: -61.893
Base-Backbone interact. energy: -0.559
local terms energy: -84.355152
where:
bonds (distance) C4'-P energy: -20.020
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -11.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.666667
Total energy: -88.374850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.374850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.374850 (E_RNA)
where:
Base-Base interactions energy: -33.964
where: short stacking energy: -33.964
Base-Backbone interact. energy: -0.247
local terms energy: -54.163678
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 231
Temperature: 2.050000
Total energy: -64.831827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.831827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.831827 (E_RNA)
where:
Base-Base interactions energy: -8.590
where: short stacking energy: -5.448
Base-Backbone interact. energy: 1.537
local terms energy: -57.778279
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -23.872
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: 9.341
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: 6
=====================================
Write number: 231
Temperature: 2.433333
Total energy: -49.405009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.405009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.405009 (E_RNA)
where:
Base-Base interactions energy: -15.000
where: short stacking energy: -15.000
Base-Backbone interact. energy: -1.001
local terms energy: -33.404519
where:
bonds (distance) C4'-P energy: -7.862
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: 9.147
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: 9
=====================================
Write number: 231
Temperature: 2.816667
Total energy: -36.701534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.701534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.701534 (E_RNA)
where:
Base-Base interactions energy: -7.932
where: short stacking energy: -8.364
Base-Backbone interact. energy: 0.968
local terms energy: -29.736837
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: 8.602
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: 4
=====================================
Write number: 231
Temperature: 3.200000
Total energy: -18.925834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.925834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.925834 (E_RNA)
where:
Base-Base interactions energy: -5.276
where: short stacking energy: -1.312
Base-Backbone interact. energy: -0.514
local terms energy: -13.136657
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -11.196
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: 6.149
tors. eta vs tors. theta energy: 19.454
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: 231
Temperature: 3.583333
Total energy: -12.989147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.989147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.989147 (E_RNA)
where:
Base-Base interactions energy: -10.574
where: short stacking energy: -6.188
Base-Backbone interact. energy: 4.776
local terms energy: -7.190762
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: 7.020
flat angles P-C4'-P energy: 8.719
tors. eta vs tors. theta energy: 8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 231
Temperature: 3.966667
Total energy: -6.784566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.784566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.784566 (E_RNA)
where:
Base-Base interactions energy: -4.367
where: short stacking energy: -4.102
Base-Backbone interact. energy: 0.804
local terms energy: -3.222136
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -4.790
flat angles C4'-P-C4' energy: -1.389
flat angles P-C4'-P energy: -2.042
tors. eta vs tors. theta energy: 16.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 4.350000
Total energy: -4.081051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.081051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.081051 (E_RNA)
where:
Base-Base interactions energy: -2.818
where: short stacking energy: -3.918
Base-Backbone interact. energy: -0.072
local terms energy: -1.190661
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: 6.283
flat angles P-C4'-P energy: 3.883
tors. eta vs tors. theta energy: 17.971
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: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -386.924534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.924534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.924534 (E_RNA)
where:
Base-Base interactions energy: -263.285
where: short stacking energy: -130.859
Base-Backbone interact. energy: -0.108
local terms energy: -123.531127
where:
bonds (distance) C4'-P energy: -22.112
bonds (distance) P-C4' energy: -26.035
flat angles C4'-P-C4' energy: -27.288
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -38.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 232
Temperature: 1.283333
Total energy: -221.704509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.704509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.704509 (E_RNA)
where:
Base-Base interactions energy: -138.174
where: short stacking energy: -72.138
Base-Backbone interact. energy: -0.117
local terms energy: -83.413964
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -22.196
flat angles C4'-P-C4' energy: -20.372
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: -23.015
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: 3
=====================================
Write number: 232
Temperature: 1.666667
Total energy: -84.661011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.661011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.661011 (E_RNA)
where:
Base-Base interactions energy: -27.144
where: short stacking energy: -27.144
Base-Backbone interact. energy: -0.531
local terms energy: -56.986430
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: 3.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 232
Temperature: 2.050000
Total energy: -62.772066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.772066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.772066 (E_RNA)
where:
Base-Base interactions energy: -11.812
where: short stacking energy: -9.686
Base-Backbone interact. energy: -0.306
local terms energy: -50.653370
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -23.473
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: 10.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 232
Temperature: 2.433333
Total energy: -49.535295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.535295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.535295 (E_RNA)
where:
Base-Base interactions energy: -2.104
where: short stacking energy: -3.304
Base-Backbone interact. energy: 0.291
local terms energy: -47.722850
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -4.230
tors. eta vs tors. theta energy: 8.760
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: 9
=====================================
Write number: 232
Temperature: 2.816667
Total energy: -34.781615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.781615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.781615 (E_RNA)
where:
Base-Base interactions energy: -15.748
where: short stacking energy: -6.280
Base-Backbone interact. energy: 0.649
local terms energy: -19.683185
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -8.107
flat angles P-C4'-P energy: 2.681
tors. eta vs tors. theta energy: 13.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 232
Temperature: 3.200000
Total energy: -20.738479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.738479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.738479 (E_RNA)
where:
Base-Base interactions energy: -14.443
where: short stacking energy: -14.443
Base-Backbone interact. energy: 5.506
local terms energy: -11.801173
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: 9.355
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: 11.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 232
Temperature: 3.583333
Total energy: -19.172225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.172225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.172225 (E_RNA)
where:
Base-Base interactions energy: -2.317
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.313
local terms energy: -16.542121
where:
bonds (distance) C4'-P energy: -6.619
bonds (distance) P-C4' energy: -11.938
flat angles C4'-P-C4' energy: -7.275
flat angles P-C4'-P energy: -2.370
tors. eta vs tors. theta energy: 11.660
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: 7
=====================================
Write number: 232
Temperature: 3.966667
Total energy: -9.067632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.067632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.067632 (E_RNA)
where:
Base-Base interactions energy: -2.549
where: short stacking energy: -0.811
Base-Backbone interact. energy: -0.531
local terms energy: -5.988219
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -0.949
flat angles C4'-P-C4' energy: -3.725
flat angles P-C4'-P energy: -4.225
tors. eta vs tors. theta energy: 18.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 232
Temperature: 4.350000
Total energy: -6.347275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.347275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.347275 (E_RNA)
where:
Base-Base interactions energy: -4.710
where: short stacking energy: -2.477
Base-Backbone interact. energy: 2.403
local terms energy: -4.039706
where:
bonds (distance) C4'-P energy: -4.123
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: 3.890
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: 13.931
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: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -392.247876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.247876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.247876 (E_RNA)
where:
Base-Base interactions energy: -266.352
where: short stacking energy: -128.156
Base-Backbone interact. energy: -0.218
local terms energy: -125.677894
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -26.945
flat angles P-C4'-P energy: -14.769
tors. eta vs tors. theta energy: -35.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 233
Temperature: 1.283333
Total energy: -199.272108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.272108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.272108 (E_RNA)
where:
Base-Base interactions energy: -96.803
where: short stacking energy: -50.900
Base-Backbone interact. energy: -0.070
local terms energy: -102.398616
where:
bonds (distance) C4'-P energy: -27.443
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -14.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.666667
Total energy: -98.989701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.989701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.989701 (E_RNA)
where:
Base-Base interactions energy: -35.328
where: short stacking energy: -34.859
Base-Backbone interact. energy: -0.354
local terms energy: -63.307329
where:
bonds (distance) C4'-P energy: -20.804
bonds (distance) P-C4' energy: -26.607
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -4.856
tors. eta vs tors. theta energy: -0.327
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: 6
=====================================
Write number: 233
Temperature: 2.050000
Total energy: -68.715183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.715183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.715183 (E_RNA)
where:
Base-Base interactions energy: -17.643
where: short stacking energy: -10.623
Base-Backbone interact. energy: -0.540
local terms energy: -50.531503
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: 4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 233
Temperature: 2.433333
Total energy: -41.840949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.840949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.840949 (E_RNA)
where:
Base-Base interactions energy: -12.441
where: short stacking energy: -9.475
Base-Backbone interact. energy: 1.693
local terms energy: -31.092500
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -20.226
flat angles C4'-P-C4' energy: -8.436
flat angles P-C4'-P energy: -0.812
tors. eta vs tors. theta energy: 12.568
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: 8
=====================================
Write number: 233
Temperature: 2.816667
Total energy: -38.123308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.123308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.123308 (E_RNA)
where:
Base-Base interactions energy: -11.435
where: short stacking energy: -10.227
Base-Backbone interact. energy: 4.567
local terms energy: -31.254643
where:
bonds (distance) C4'-P energy: 4.474
bonds (distance) P-C4' energy: -24.598
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: 5.264
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: 233
Temperature: 3.200000
Total energy: -23.237855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.237855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.237855 (E_RNA)
where:
Base-Base interactions energy: -13.843
where: short stacking energy: -7.211
Base-Backbone interact. energy: 1.593
local terms energy: -10.988721
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -2.990
flat angles P-C4'-P energy: 2.330
tors. eta vs tors. theta energy: 19.229
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: 7
=====================================
Write number: 233
Temperature: 3.583333
Total energy: -10.078031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.078031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.078031 (E_RNA)
where:
Base-Base interactions energy: -2.093
where: short stacking energy: -2.093
Base-Backbone interact. energy: 0.859
local terms energy: -8.843752
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -6.571
flat angles C4'-P-C4' energy: -3.025
flat angles P-C4'-P energy: -3.322
tors. eta vs tors. theta energy: 20.966
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: 4
=====================================
Write number: 233
Temperature: 3.966667
Total energy: -14.276478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.276478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.276478 (E_RNA)
where:
Base-Base interactions energy: -7.165
where: short stacking energy: -1.975
Base-Backbone interact. energy: 2.173
local terms energy: -9.284358
where:
bonds (distance) C4'-P energy: -8.751
bonds (distance) P-C4' energy: -9.953
flat angles C4'-P-C4' energy: -2.314
flat angles P-C4'-P energy: -4.222
tors. eta vs tors. theta energy: 15.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 233
Temperature: 4.350000
Total energy: 1.947425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.947425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.947425 (E_RNA)
where:
Base-Base interactions energy: -3.037
where: short stacking energy: -0.942
Base-Backbone interact. energy: 5.377
local terms energy: -0.392056
where:
bonds (distance) C4'-P energy: -7.005
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -4.667
flat angles P-C4'-P energy: 7.531
tors. eta vs tors. theta energy: 19.941
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: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -389.037374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.037374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.037374 (E_RNA)
where:
Base-Base interactions energy: -260.143
where: short stacking energy: -122.349
Base-Backbone interact. energy: -0.542
local terms energy: -128.352119
where:
bonds (distance) C4'-P energy: -20.901
bonds (distance) P-C4' energy: -25.400
flat angles C4'-P-C4' energy: -28.964
flat angles P-C4'-P energy: -16.385
tors. eta vs tors. theta energy: -36.702
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: 2, replica: 2
=====================================
Write number: 234
Temperature: 1.283333
Total energy: -197.675972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.675972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.675972 (E_RNA)
where:
Base-Base interactions energy: -102.937
where: short stacking energy: -56.719
Base-Backbone interact. energy: -0.106
local terms energy: -94.632997
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -27.872
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -18.159
tors. eta vs tors. theta energy: -10.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 234
Temperature: 1.666667
Total energy: -93.722913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.722913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.722913 (E_RNA)
where:
Base-Base interactions energy: -32.796
where: short stacking energy: -29.481
Base-Backbone interact. energy: -0.253
local terms energy: -60.674160
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -24.263
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: 3.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 2.050000
Total energy: -58.740553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.740553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.740553 (E_RNA)
where:
Base-Base interactions energy: -6.936
where: short stacking energy: -6.936
Base-Backbone interact. energy: 0.959
local terms energy: -52.763194
where:
bonds (distance) C4'-P energy: -18.684
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: 9.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 234
Temperature: 2.433333
Total energy: -52.073681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.073681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.073681 (E_RNA)
where:
Base-Base interactions energy: -10.393
where: short stacking energy: -7.424
Base-Backbone interact. energy: 0.616
local terms energy: -42.297218
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -24.414
flat angles C4'-P-C4' energy: -4.567
flat angles P-C4'-P energy: -4.088
tors. eta vs tors. theta energy: 12.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 2.816667
Total energy: -28.326090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.326090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.326090 (E_RNA)
where:
Base-Base interactions energy: -6.353
where: short stacking energy: -4.095
Base-Backbone interact. energy: -0.166
local terms energy: -21.806572
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -7.010
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: 3.362
tors. eta vs tors. theta energy: 13.567
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: 234
Temperature: 3.200000
Total energy: -20.379798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.379798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.379798 (E_RNA)
where:
Base-Base interactions energy: -5.215
where: short stacking energy: -5.215
Base-Backbone interact. energy: 2.555
local terms energy: -17.719167
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -22.706
flat angles C4'-P-C4' energy: -9.204
flat angles P-C4'-P energy: 15.298
tors. eta vs tors. theta energy: 17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 234
Temperature: 3.583333
Total energy: -15.160531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.160531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.160531 (E_RNA)
where:
Base-Base interactions energy: -8.323
where: short stacking energy: -6.009
Base-Backbone interact. energy: -0.006
local terms energy: -6.832058
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: 4.762
flat angles P-C4'-P energy: 3.876
tors. eta vs tors. theta energy: 17.105
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: 4
=====================================
Write number: 234
Temperature: 3.966667
Total energy: -16.826401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.826401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.826401 (E_RNA)
where:
Base-Base interactions energy: -0.063
where: short stacking energy: 2.100
Base-Backbone interact. energy: 1.205
local terms energy: -17.968125
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -17.394
flat angles C4'-P-C4' energy: 2.736
flat angles P-C4'-P energy: -2.650
tors. eta vs tors. theta energy: 14.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 234
Temperature: 4.350000
Total energy: -7.162028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.162028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.162028 (E_RNA)
where:
Base-Base interactions energy: -0.850
where: short stacking energy: -0.850
Base-Backbone interact. energy: 1.563
local terms energy: -7.875132
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -7.418
flat angles C4'-P-C4' energy: -7.089
flat angles P-C4'-P energy: 4.526
tors. eta vs tors. theta energy: 18.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -394.315521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.315521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.315521 (E_RNA)
where:
Base-Base interactions energy: -267.709
where: short stacking energy: -120.716
Base-Backbone interact. energy: -1.484
local terms energy: -125.122728
where:
bonds (distance) C4'-P energy: -24.445
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -24.547
flat angles P-C4'-P energy: -18.827
tors. eta vs tors. theta energy: -37.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 235
Temperature: 1.283333
Total energy: -194.365315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.365315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.365315 (E_RNA)
where:
Base-Base interactions energy: -109.697
where: short stacking energy: -59.528
Base-Backbone interact. energy: -0.199
local terms energy: -84.469332
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -21.578
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -13.248
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: 6
=====================================
Write number: 235
Temperature: 1.666667
Total energy: -90.639091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.639091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.639091 (E_RNA)
where:
Base-Base interactions energy: -37.938
where: short stacking energy: -31.847
Base-Backbone interact. energy: 0.496
local terms energy: -53.196373
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -5.165
tors. eta vs tors. theta energy: 0.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 235
Temperature: 2.050000
Total energy: -60.673917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.673917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.673917 (E_RNA)
where:
Base-Base interactions energy: -14.919
where: short stacking energy: -14.157
Base-Backbone interact. energy: -0.752
local terms energy: -45.002711
where:
bonds (distance) C4'-P energy: -23.357
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -9.378
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: 10.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 235
Temperature: 2.433333
Total energy: -43.273523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.273523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.273523 (E_RNA)
where:
Base-Base interactions energy: -12.718
where: short stacking energy: -6.597
Base-Backbone interact. energy: 1.558
local terms energy: -32.113614
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -6.359
flat angles P-C4'-P energy: -1.980
tors. eta vs tors. theta energy: 4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 235
Temperature: 2.816667
Total energy: -36.882845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.882845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.882845 (E_RNA)
where:
Base-Base interactions energy: -3.091
where: short stacking energy: -0.050
Base-Backbone interact. energy: -0.604
local terms energy: -33.187498
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -24.801
flat angles C4'-P-C4' energy: -2.299
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: 16.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 235
Temperature: 3.200000
Total energy: -31.760217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.760217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.760217 (E_RNA)
where:
Base-Base interactions energy: -5.256
where: short stacking energy: -5.256
Base-Backbone interact. energy: -0.184
local terms energy: -26.320144
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -3.821
flat angles P-C4'-P energy: 5.808
tors. eta vs tors. theta energy: 6.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 235
Temperature: 3.583333
Total energy: -25.688073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.688073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.688073 (E_RNA)
where:
Base-Base interactions energy: -5.222
where: short stacking energy: -5.222
Base-Backbone interact. energy: 1.237
local terms energy: -21.703246
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -5.570
flat angles P-C4'-P energy: -4.318
tors. eta vs tors. theta energy: 13.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 235
Temperature: 3.966667
Total energy: -14.412185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.412185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.412185 (E_RNA)
where:
Base-Base interactions energy: -5.021
where: short stacking energy: -4.947
Base-Backbone interact. energy: -0.319
local terms energy: -9.071638
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -2.254
flat angles P-C4'-P energy: 3.192
tors. eta vs tors. theta energy: 14.945
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: 10
=====================================
Write number: 235
Temperature: 4.350000
Total energy: -0.907093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.907093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.907093 (E_RNA)
where:
Base-Base interactions energy: -6.994
where: short stacking energy: -4.419
Base-Backbone interact. energy: 0.872
local terms energy: 5.215176
where:
bonds (distance) C4'-P energy: -5.983
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: 11.194
flat angles P-C4'-P energy: 5.781
tors. eta vs tors. theta energy: 10.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -375.759375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.759375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.759375 (E_RNA)
where:
Base-Base interactions energy: -246.233
where: short stacking energy: -119.033
Base-Backbone interact. energy: -0.149
local terms energy: -129.376788
where:
bonds (distance) C4'-P energy: -26.247
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -25.114
flat angles P-C4'-P energy: -18.551
tors. eta vs tors. theta energy: -36.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 236
Temperature: 1.283333
Total energy: -199.740336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.740336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.740336 (E_RNA)
where:
Base-Base interactions energy: -112.307
where: short stacking energy: -65.772
Base-Backbone interact. energy: -0.584
local terms energy: -86.849459
where:
bonds (distance) C4'-P energy: -24.897
bonds (distance) P-C4' energy: -22.248
flat angles C4'-P-C4' energy: -21.123
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -6.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 236
Temperature: 1.666667
Total energy: -87.084619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.084619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.084619 (E_RNA)
where:
Base-Base interactions energy: -29.811
where: short stacking energy: -27.548
Base-Backbone interact. energy: 0.331
local terms energy: -57.604998
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: 2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 236
Temperature: 2.050000
Total energy: -62.445932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.445932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.445932 (E_RNA)
where:
Base-Base interactions energy: -16.537
where: short stacking energy: -17.398
Base-Backbone interact. energy: 0.115
local terms energy: -46.024543
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -10.764
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: 2.907
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: 8
=====================================
Write number: 236
Temperature: 2.433333
Total energy: -55.698482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.698482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.698482 (E_RNA)
where:
Base-Base interactions energy: -22.894
where: short stacking energy: -20.905
Base-Backbone interact. energy: -1.026
local terms energy: -31.778713
where:
bonds (distance) C4'-P energy: -6.718
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: 0.150
tors. eta vs tors. theta energy: 10.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 236
Temperature: 2.816667
Total energy: -38.185379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.185379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.185379 (E_RNA)
where:
Base-Base interactions energy: -11.782
where: short stacking energy: -12.350
Base-Backbone interact. energy: -1.324
local terms energy: -25.079717
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -7.677
flat angles P-C4'-P energy: -0.755
tors. eta vs tors. theta energy: 12.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 236
Temperature: 3.200000
Total energy: -26.660767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.660767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.660767 (E_RNA)
where:
Base-Base interactions energy: -4.039
where: short stacking energy: -2.863
Base-Backbone interact. energy: 0.256
local terms energy: -22.877859
where:
bonds (distance) C4'-P energy: -20.376
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -3.875
flat angles P-C4'-P energy: 0.756
tors. eta vs tors. theta energy: 14.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 236
Temperature: 3.583333
Total energy: -11.753216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.753216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.753216 (E_RNA)
where:
Base-Base interactions energy: -4.564
where: short stacking energy: -2.775
Base-Backbone interact. energy: 4.517
local terms energy: -11.706364
where:
bonds (distance) C4'-P energy: -7.336
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: 4.354
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: 17.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 236
Temperature: 3.966667
Total energy: -10.350216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.350216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.350216 (E_RNA)
where:
Base-Base interactions energy: -2.638
where: short stacking energy: -2.529
Base-Backbone interact. energy: 1.270
local terms energy: -8.982088
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: 0.771
flat angles P-C4'-P energy: -1.168
tors. eta vs tors. theta energy: 16.326
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: 7
=====================================
Write number: 236
Temperature: 4.350000
Total energy: -6.300136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.300136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.300136 (E_RNA)
where:
Base-Base interactions energy: 0.147
where: short stacking energy: 0.147
Base-Backbone interact. energy: 5.765
local terms energy: -12.211883
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: 6.888
flat angles P-C4'-P energy: 0.555
tors. eta vs tors. theta energy: 11.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -379.983935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.983935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.983935 (E_RNA)
where:
Base-Base interactions energy: -256.316
where: short stacking energy: -119.119
Base-Backbone interact. energy: -0.684
local terms energy: -122.984159
where:
bonds (distance) C4'-P energy: -22.053
bonds (distance) P-C4' energy: -25.583
flat angles C4'-P-C4' energy: -25.463
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -37.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 237
Temperature: 1.283333
Total energy: -203.220679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.220679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.220679 (E_RNA)
where:
Base-Base interactions energy: -112.723
where: short stacking energy: -57.231
Base-Backbone interact. energy: -0.449
local terms energy: -90.048390
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -24.071
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -9.553
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: 6
=====================================
Write number: 237
Temperature: 1.666667
Total energy: -92.030400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.030400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.030400 (E_RNA)
where:
Base-Base interactions energy: -26.326
where: short stacking energy: -20.581
Base-Backbone interact. energy: 3.057
local terms energy: -68.761163
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -18.953
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 237
Temperature: 2.050000
Total energy: -65.411370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.411370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.411370 (E_RNA)
where:
Base-Base interactions energy: -8.885
where: short stacking energy: -6.237
Base-Backbone interact. energy: -0.496
local terms energy: -56.030996
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: 0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 237
Temperature: 2.433333
Total energy: -43.910411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.910411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.910411 (E_RNA)
where:
Base-Base interactions energy: -9.207
where: short stacking energy: -4.910
Base-Backbone interact. energy: 1.218
local terms energy: -35.922108
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: 10.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 237
Temperature: 2.816667
Total energy: -37.077502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.077502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.077502 (E_RNA)
where:
Base-Base interactions energy: -10.285
where: short stacking energy: -11.562
Base-Backbone interact. energy: -0.415
local terms energy: -26.377025
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -11.290
flat angles C4'-P-C4' energy: -6.512
flat angles P-C4'-P energy: -0.371
tors. eta vs tors. theta energy: 6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 237
Temperature: 3.200000
Total energy: -36.137031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.137031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.137031 (E_RNA)
where:
Base-Base interactions energy: -7.375
where: short stacking energy: -8.774
Base-Backbone interact. energy: 1.361
local terms energy: -30.123574
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: 7.459
tors. eta vs tors. theta energy: 8.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 237
Temperature: 3.583333
Total energy: -11.162440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.162440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.162440 (E_RNA)
where:
Base-Base interactions energy: -3.050
where: short stacking energy: 0.334
Base-Backbone interact. energy: -0.772
local terms energy: -7.339987
where:
bonds (distance) C4'-P energy: -7.485
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -3.778
flat angles P-C4'-P energy: -1.397
tors. eta vs tors. theta energy: 18.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 3.966667
Total energy: -2.637594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.637594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.637594 (E_RNA)
where:
Base-Base interactions energy: 0.141
where: short stacking energy: 0.933
Base-Backbone interact. energy: 13.052
local terms energy: -15.830591
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -0.022
flat angles P-C4'-P energy: -3.244
tors. eta vs tors. theta energy: 15.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 4.350000
Total energy: 2.036757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 2.036757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 2.036757 (E_RNA)
where:
Base-Base interactions energy: 3.418
where: short stacking energy: 1.542
Base-Backbone interact. energy: 1.854
local terms energy: -3.235479
where:
bonds (distance) C4'-P energy: -6.395
bonds (distance) P-C4' energy: -8.445
flat angles C4'-P-C4' energy: 3.046
flat angles P-C4'-P energy: -3.685
tors. eta vs tors. theta energy: 12.244
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: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -374.332202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.332202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.332202 (E_RNA)
where:
Base-Base interactions energy: -248.746
where: short stacking energy: -112.535
Base-Backbone interact. energy: 0.910
local terms energy: -126.496829
where:
bonds (distance) C4'-P energy: -26.587
bonds (distance) P-C4' energy: -23.295
flat angles C4'-P-C4' energy: -28.221
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -33.504
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: 2
=====================================
Write number: 238
Temperature: 1.283333
Total energy: -201.984968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.984968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.984968 (E_RNA)
where:
Base-Base interactions energy: -107.158
where: short stacking energy: -59.304
Base-Backbone interact. energy: -0.264
local terms energy: -94.563311
where:
bonds (distance) C4'-P energy: -23.921
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -22.144
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -14.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 238
Temperature: 1.666667
Total energy: -83.272107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.272107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.272107 (E_RNA)
where:
Base-Base interactions energy: -24.609
where: short stacking energy: -26.894
Base-Backbone interact. energy: -0.259
local terms energy: -58.404135
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -21.943
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: 7.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 238
Temperature: 2.050000
Total energy: -62.338736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.338736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.338736 (E_RNA)
where:
Base-Base interactions energy: -19.123
where: short stacking energy: -8.867
Base-Backbone interact. energy: -0.300
local terms energy: -42.916117
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -25.663
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: 16.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 238
Temperature: 2.433333
Total energy: -59.377624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.377624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.377624 (E_RNA)
where:
Base-Base interactions energy: -9.380
where: short stacking energy: -4.326
Base-Backbone interact. energy: -0.548
local terms energy: -49.450091
where:
bonds (distance) C4'-P energy: -21.348
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: 11.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 238
Temperature: 2.816667
Total energy: -35.610991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.610991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.610991 (E_RNA)
where:
Base-Base interactions energy: -14.333
where: short stacking energy: -7.953
Base-Backbone interact. energy: -0.365
local terms energy: -20.913487
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -8.019
flat angles P-C4'-P energy: 6.208
tors. eta vs tors. theta energy: 16.154
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: 9
=====================================
Write number: 238
Temperature: 3.200000
Total energy: -19.053657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.053657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.053657 (E_RNA)
where:
Base-Base interactions energy: -3.691
where: short stacking energy: -4.417
Base-Backbone interact. energy: -0.550
local terms energy: -14.811973
where:
bonds (distance) C4'-P energy: -0.949
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -3.081
tors. eta vs tors. theta energy: 11.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 238
Temperature: 3.583333
Total energy: -14.612358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.612358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.612358 (E_RNA)
where:
Base-Base interactions energy: -7.230
where: short stacking energy: -5.866
Base-Backbone interact. energy: -1.099
local terms energy: -6.282681
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -8.936
flat angles C4'-P-C4' energy: -9.495
flat angles P-C4'-P energy: 2.958
tors. eta vs tors. theta energy: 23.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 238
Temperature: 3.966667
Total energy: -14.575637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.575637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.575637 (E_RNA)
where:
Base-Base interactions energy: -4.854
where: short stacking energy: -4.716
Base-Backbone interact. energy: -0.306
local terms energy: -9.415898
where:
bonds (distance) C4'-P energy: -7.361
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -2.356
flat angles P-C4'-P energy: -0.254
tors. eta vs tors. theta energy: 12.486
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: 10
=====================================
Write number: 238
Temperature: 4.350000
Total energy: -3.951298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.951298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.951298 (E_RNA)
where:
Base-Base interactions energy: -5.942
where: short stacking energy: -0.497
Base-Backbone interact. energy: 4.232
local terms energy: -2.240854
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -1.436
flat angles C4'-P-C4' energy: 2.001
flat angles P-C4'-P energy: 3.245
tors. eta vs tors. theta energy: 10.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -379.771515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.771515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.771515 (E_RNA)
where:
Base-Base interactions energy: -243.137
where: short stacking energy: -114.547
Base-Backbone interact. energy: -1.745
local terms energy: -134.889736
where:
bonds (distance) C4'-P energy: -26.453
bonds (distance) P-C4' energy: -22.544
flat angles C4'-P-C4' energy: -29.149
flat angles P-C4'-P energy: -22.754
tors. eta vs tors. theta energy: -33.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 239
Temperature: 1.283333
Total energy: -196.533346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.533346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.533346 (E_RNA)
where:
Base-Base interactions energy: -119.481
where: short stacking energy: -67.897
Base-Backbone interact. energy: 3.006
local terms energy: -80.058451
where:
bonds (distance) C4'-P energy: -20.963
bonds (distance) P-C4' energy: -23.443
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -13.006
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: 3
=====================================
Write number: 239
Temperature: 1.666667
Total energy: -91.579761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.579761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.579761 (E_RNA)
where:
Base-Base interactions energy: -30.787
where: short stacking energy: -23.162
Base-Backbone interact. energy: -0.509
local terms energy: -60.284337
where:
bonds (distance) C4'-P energy: -9.852
bonds (distance) P-C4' energy: -23.289
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -19.449
tors. eta vs tors. theta energy: 7.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 239
Temperature: 2.050000
Total energy: -57.389646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.389646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.389646 (E_RNA)
where:
Base-Base interactions energy: -21.936
where: short stacking energy: -21.936
Base-Backbone interact. energy: -0.242
local terms energy: -35.212024
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -21.473
flat angles C4'-P-C4' energy: -1.808
flat angles P-C4'-P energy: -1.141
tors. eta vs tors. theta energy: 4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 239
Temperature: 2.433333
Total energy: -39.979491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.979491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.979491 (E_RNA)
where:
Base-Base interactions energy: -14.668
where: short stacking energy: -8.349
Base-Backbone interact. energy: 1.686
local terms energy: -26.997266
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -11.146
flat angles C4'-P-C4' energy: -6.249
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: 12.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 239
Temperature: 2.816667
Total energy: -31.836052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.836052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.836052 (E_RNA)
where:
Base-Base interactions energy: -5.551
where: short stacking energy: -5.551
Base-Backbone interact. energy: -0.073
local terms energy: -26.212353
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -5.459
flat angles P-C4'-P energy: 3.252
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: 7, replica: 8
=====================================
Write number: 239
Temperature: 3.200000
Total energy: -27.918459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.918459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.918459 (E_RNA)
where:
Base-Base interactions energy: -7.711
where: short stacking energy: -5.775
Base-Backbone interact. energy: 0.721
local terms energy: -20.928477
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -9.519
flat angles P-C4'-P energy: 1.500
tors. eta vs tors. theta energy: 19.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 239
Temperature: 3.583333
Total energy: -17.921872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.921872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.921872 (E_RNA)
where:
Base-Base interactions energy: -7.898
where: short stacking energy: -3.091
Base-Backbone interact. energy: 3.069
local terms energy: -13.093145
where:
bonds (distance) C4'-P energy: -6.740
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -3.799
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: 20.986
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: 5
=====================================
Write number: 239
Temperature: 3.966667
Total energy: -8.346767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.346767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.346767 (E_RNA)
where:
Base-Base interactions energy: -4.419
where: short stacking energy: -2.670
Base-Backbone interact. energy: -0.643
local terms energy: -3.285087
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: 3.055
flat angles P-C4'-P energy: 7.298
tors. eta vs tors. theta energy: 16.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 4.350000
Total energy: 0.012228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.012228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.012228 (E_RNA)
where:
Base-Base interactions energy: -5.745
where: short stacking energy: -5.976
Base-Backbone interact. energy: 2.513
local terms energy: 3.243810
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: 2.033
flat angles P-C4'-P energy: 12.175
tors. eta vs tors. theta energy: 14.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -379.185454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.185454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.185454 (E_RNA)
where:
Base-Base interactions energy: -256.033
where: short stacking energy: -114.500
Base-Backbone interact. energy: -1.953
local terms energy: -121.199734
where:
bonds (distance) C4'-P energy: -23.047
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -25.359
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -29.018
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: 2
=====================================
Write number: 240
Temperature: 1.283333
Total energy: -140.299062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.299062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.299062 (E_RNA)
where:
Base-Base interactions energy: -62.387
where: short stacking energy: -62.387
Base-Backbone interact. energy: -0.378
local terms energy: -77.533561
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -16.993
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -6.260
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: 4
=====================================
Write number: 240
Temperature: 1.666667
Total energy: -85.188023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.188023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.188023 (E_RNA)
where:
Base-Base interactions energy: -27.909
where: short stacking energy: -27.909
Base-Backbone interact. energy: 0.726
local terms energy: -58.004532
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: 7.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 240
Temperature: 2.050000
Total energy: -61.742570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.742570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.742570 (E_RNA)
where:
Base-Base interactions energy: -19.438
where: short stacking energy: -19.438
Base-Backbone interact. energy: -0.476
local terms energy: -41.828655
where:
bonds (distance) C4'-P energy: -27.675
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -5.243
flat angles P-C4'-P energy: -2.921
tors. eta vs tors. theta energy: 10.081
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: 9
=====================================
Write number: 240
Temperature: 2.433333
Total energy: -40.590741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.590741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.590741 (E_RNA)
where:
Base-Base interactions energy: -20.607
where: short stacking energy: -24.293
Base-Backbone interact. energy: 5.670
local terms energy: -25.653434
where:
bonds (distance) C4'-P energy: -6.432
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -2.320
tors. eta vs tors. theta energy: 11.021
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: 6
=====================================
Write number: 240
Temperature: 2.816667
Total energy: -37.006817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.006817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.006817 (E_RNA)
where:
Base-Base interactions energy: -4.753
where: short stacking energy: 0.108
Base-Backbone interact. energy: -0.523
local terms energy: -31.730124
where:
bonds (distance) C4'-P energy: -18.469
bonds (distance) P-C4' energy: -16.714
flat angles C4'-P-C4' energy: -4.347
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: 15.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 240
Temperature: 3.200000
Total energy: -22.065394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.065394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.065394 (E_RNA)
where:
Base-Base interactions energy: -11.734
where: short stacking energy: -11.734
Base-Backbone interact. energy: -0.456
local terms energy: -9.875274
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -6.537
flat angles C4'-P-C4' energy: -7.652
flat angles P-C4'-P energy: 0.477
tors. eta vs tors. theta energy: 15.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 240
Temperature: 3.583333
Total energy: -9.836706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.836706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.836706 (E_RNA)
where:
Base-Base interactions energy: -3.881
where: short stacking energy: 0.665
Base-Backbone interact. energy: 1.457
local terms energy: -7.412776
where:
bonds (distance) C4'-P energy: -7.959
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -8.780
flat angles P-C4'-P energy: 5.473
tors. eta vs tors. theta energy: 15.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 3.966667
Total energy: -14.928638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.928638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.928638 (E_RNA)
where:
Base-Base interactions energy: -16.913
where: short stacking energy: -7.431
Base-Backbone interact. energy: 5.043
local terms energy: -3.058590
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -2.780
flat angles C4'-P-C4' energy: -9.814
flat angles P-C4'-P energy: 3.596
tors. eta vs tors. theta energy: 19.394
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: 5
=====================================
Write number: 240
Temperature: 4.350000
Total energy: -5.287963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.287963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.287963 (E_RNA)
where:
Base-Base interactions energy: -10.096
where: short stacking energy: -6.352
Base-Backbone interact. energy: 1.190
local terms energy: 3.618044
where:
bonds (distance) C4'-P energy: -5.654
bonds (distance) P-C4' energy: -8.572
flat angles C4'-P-C4' energy: 1.498
flat angles P-C4'-P energy: 4.435
tors. eta vs tors. theta energy: 11.911
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: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -385.258793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.258793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.258793 (E_RNA)
where:
Base-Base interactions energy: -253.864
where: short stacking energy: -122.598
Base-Backbone interact. energy: 0.482
local terms energy: -131.876420
where:
bonds (distance) C4'-P energy: -26.440
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -24.796
flat angles P-C4'-P energy: -17.245
tors. eta vs tors. theta energy: -35.640
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: 2
=====================================
Write number: 241
Temperature: 1.283333
Total energy: -178.305834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.305834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.305834 (E_RNA)
where:
Base-Base interactions energy: -107.251
where: short stacking energy: -58.620
Base-Backbone interact. energy: -0.960
local terms energy: -70.095549
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -22.605
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -5.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 241
Temperature: 1.666667
Total energy: -78.380940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.380940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.380940 (E_RNA)
where:
Base-Base interactions energy: -33.011
where: short stacking energy: -28.239
Base-Backbone interact. energy: -0.218
local terms energy: -45.152030
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -21.276
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: 1.029
tors. eta vs tors. theta energy: 3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 2.050000
Total energy: -60.312054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.312054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.312054 (E_RNA)
where:
Base-Base interactions energy: -21.508
where: short stacking energy: -21.111
Base-Backbone interact. energy: 1.603
local terms energy: -40.407073
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -7.955
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: 10.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 241
Temperature: 2.433333
Total energy: -54.267938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.267938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.267938 (E_RNA)
where:
Base-Base interactions energy: -22.419
where: short stacking energy: -21.776
Base-Backbone interact. energy: -0.248
local terms energy: -31.601274
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: 2.699
tors. eta vs tors. theta energy: 7.032
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: 6
=====================================
Write number: 241
Temperature: 2.816667
Total energy: -37.741157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.741157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.741157 (E_RNA)
where:
Base-Base interactions energy: -7.971
where: short stacking energy: -6.835
Base-Backbone interact. energy: -0.611
local terms energy: -29.159515
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -1.412
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: 14.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 3.200000
Total energy: -31.566759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.566759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.566759 (E_RNA)
where:
Base-Base interactions energy: -11.595
where: short stacking energy: -7.109
Base-Backbone interact. energy: 2.817
local terms energy: -22.788459
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -22.361
flat angles C4'-P-C4' energy: -7.692
flat angles P-C4'-P energy: 7.426
tors. eta vs tors. theta energy: 11.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 3.583333
Total energy: -22.141813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.141813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.141813 (E_RNA)
where:
Base-Base interactions energy: -6.473
where: short stacking energy: -9.060
Base-Backbone interact. energy: 0.408
local terms energy: -16.077197
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: 8.277
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: 15.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 241
Temperature: 3.966667
Total energy: -15.597987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.597987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.597987 (E_RNA)
where:
Base-Base interactions energy: -5.291
where: short stacking energy: -1.663
Base-Backbone interact. energy: 2.927
local terms energy: -13.233677
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: 10.339
tors. eta vs tors. theta energy: 17.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 241
Temperature: 4.350000
Total energy: -5.512443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.512443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.512443 (E_RNA)
where:
Base-Base interactions energy: -5.816
where: short stacking energy: -5.816
Base-Backbone interact. energy: -0.601
local terms energy: 0.905034
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -8.903
flat angles C4'-P-C4' energy: -0.706
flat angles P-C4'-P energy: 8.702
tors. eta vs tors. theta energy: 11.728
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: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -390.482866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.482866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.482866 (E_RNA)
where:
Base-Base interactions energy: -262.258
where: short stacking energy: -130.898
Base-Backbone interact. energy: -0.242
local terms energy: -127.983121
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -29.675
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -37.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 1.283333
Total energy: -152.135487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.135487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.135487 (E_RNA)
where:
Base-Base interactions energy: -70.011
where: short stacking energy: -42.378
Base-Backbone interact. energy: -1.366
local terms energy: -80.758107
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -26.226
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 242
Temperature: 1.666667
Total energy: -93.893512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.893512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.893512 (E_RNA)
where:
Base-Base interactions energy: -33.251
where: short stacking energy: -32.659
Base-Backbone interact. energy: 1.915
local terms energy: -62.557521
where:
bonds (distance) C4'-P energy: -23.026
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: 0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 242
Temperature: 2.050000
Total energy: -70.143501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.143501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.143501 (E_RNA)
where:
Base-Base interactions energy: -30.733
where: short stacking energy: -28.756
Base-Backbone interact. energy: -0.313
local terms energy: -39.097578
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -3.737
tors. eta vs tors. theta energy: 1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 242
Temperature: 2.433333
Total energy: -42.671194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.671194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.671194 (E_RNA)
where:
Base-Base interactions energy: -12.786
where: short stacking energy: -9.163
Base-Backbone interact. energy: 4.926
local terms energy: -34.811796
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: 1.831
tors. eta vs tors. theta energy: 14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 242
Temperature: 2.816667
Total energy: -38.791969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.791969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.791969 (E_RNA)
where:
Base-Base interactions energy: -10.269
where: short stacking energy: -11.369
Base-Backbone interact. energy: 9.920
local terms energy: -38.442432
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -5.616
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: 5.925
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: 7
=====================================
Write number: 242
Temperature: 3.200000
Total energy: -19.066191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.066191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.066191 (E_RNA)
where:
Base-Base interactions energy: -3.723
where: short stacking energy: -4.169
Base-Backbone interact. energy: 2.039
local terms energy: -17.383026
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -6.877
flat angles P-C4'-P energy: 1.837
tors. eta vs tors. theta energy: 11.024
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: 8
=====================================
Write number: 242
Temperature: 3.583333
Total energy: -16.738465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.738465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.738465 (E_RNA)
where:
Base-Base interactions energy: -10.729
where: short stacking energy: -5.117
Base-Backbone interact. energy: -0.343
local terms energy: -5.666409
where:
bonds (distance) C4'-P energy: -5.047
bonds (distance) P-C4' energy: -21.732
flat angles C4'-P-C4' energy: 9.886
flat angles P-C4'-P energy: -1.170
tors. eta vs tors. theta energy: 12.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 242
Temperature: 3.966667
Total energy: -7.688710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.688710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.688710 (E_RNA)
where:
Base-Base interactions energy: -13.986
where: short stacking energy: -15.086
Base-Backbone interact. energy: 0.298
local terms energy: 5.998851
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -1.977
flat angles C4'-P-C4' energy: 0.646
flat angles P-C4'-P energy: 6.519
tors. eta vs tors. theta energy: 14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 242
Temperature: 4.350000
Total energy: 4.689478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4.689478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 4.689478 (E_RNA)
where:
Base-Base interactions energy: -3.005
where: short stacking energy: -3.105
Base-Backbone interact. energy: 0.270
local terms energy: 7.424656
where:
bonds (distance) C4'-P energy: -8.347
bonds (distance) P-C4' energy: -2.949
flat angles C4'-P-C4' energy: 0.823
flat angles P-C4'-P energy: 0.601
tors. eta vs tors. theta energy: 17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -383.619231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.619231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.619231 (E_RNA)
where:
Base-Base interactions energy: -259.865
where: short stacking energy: -121.724
Base-Backbone interact. energy: -1.047
local terms energy: -122.707833
where:
bonds (distance) C4'-P energy: -24.065
bonds (distance) P-C4' energy: -27.012
flat angles C4'-P-C4' energy: -21.701
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -34.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 243
Temperature: 1.283333
Total energy: -136.353958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.353958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.353958 (E_RNA)
where:
Base-Base interactions energy: -51.038
where: short stacking energy: -51.062
Base-Backbone interact. energy: -0.310
local terms energy: -85.006583
where:
bonds (distance) C4'-P energy: -26.883
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.666667
Total energy: -90.377667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.377667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.377667 (E_RNA)
where:
Base-Base interactions energy: -26.141
where: short stacking energy: -23.702
Base-Backbone interact. energy: -2.346
local terms energy: -61.890600
where:
bonds (distance) C4'-P energy: -22.343
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: 2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 2.050000
Total energy: -67.561274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.561274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.561274 (E_RNA)
where:
Base-Base interactions energy: -20.583
where: short stacking energy: -16.432
Base-Backbone interact. energy: 0.158
local terms energy: -47.136119
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -26.174
flat angles C4'-P-C4' energy: -8.864
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: 10.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 243
Temperature: 2.433333
Total energy: -45.403550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.403550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.403550 (E_RNA)
where:
Base-Base interactions energy: -10.533
where: short stacking energy: -6.280
Base-Backbone interact. energy: -0.558
local terms energy: -34.312439
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: 14.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 243
Temperature: 2.816667
Total energy: -40.475795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.475795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.475795 (E_RNA)
where:
Base-Base interactions energy: 2.717
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.684
local terms energy: -42.509512
where:
bonds (distance) C4'-P energy: -23.375
bonds (distance) P-C4' energy: -22.503
flat angles C4'-P-C4' energy: -1.740
flat angles P-C4'-P energy: -7.980
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: 7, replica: 9
=====================================
Write number: 243
Temperature: 3.200000
Total energy: -19.218841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.218841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.218841 (E_RNA)
where:
Base-Base interactions energy: -7.222
where: short stacking energy: -6.085
Base-Backbone interact. energy: 3.165
local terms energy: -15.162409
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -10.082
flat angles C4'-P-C4' energy: -3.179
flat angles P-C4'-P energy: -3.007
tors. eta vs tors. theta energy: 14.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 243
Temperature: 3.583333
Total energy: -15.130995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.130995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.130995 (E_RNA)
where:
Base-Base interactions energy: -11.556
where: short stacking energy: -8.276
Base-Backbone interact. energy: 7.307
local terms energy: -10.882483
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -7.420
flat angles P-C4'-P energy: 11.167
tors. eta vs tors. theta energy: 16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 243
Temperature: 3.966667
Total energy: -5.229478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.229478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.229478 (E_RNA)
where:
Base-Base interactions energy: 1.411
where: short stacking energy: 1.000
Base-Backbone interact. energy: 3.091
local terms energy: -9.732060
where:
bonds (distance) C4'-P energy: -0.632
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -1.712
flat angles P-C4'-P energy: -2.945
tors. eta vs tors. theta energy: 14.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 243
Temperature: 4.350000
Total energy: -4.070170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.070170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.070170 (E_RNA)
where:
Base-Base interactions energy: -6.224
where: short stacking energy: -5.059
Base-Backbone interact. energy: 5.565
local terms energy: -3.411172
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: 0.173
flat angles P-C4'-P energy: 4.867
tors. eta vs tors. theta energy: 21.667
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: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -376.504107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.504107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.504107 (E_RNA)
where:
Base-Base interactions energy: -250.720
where: short stacking energy: -114.765
Base-Backbone interact. energy: -0.209
local terms energy: -125.574493
where:
bonds (distance) C4'-P energy: -25.379
bonds (distance) P-C4' energy: -26.146
flat angles C4'-P-C4' energy: -27.008
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -32.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 244
Temperature: 1.283333
Total energy: -133.704935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.704935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.704935 (E_RNA)
where:
Base-Base interactions energy: -61.539
where: short stacking energy: -44.309
Base-Backbone interact. energy: -0.336
local terms energy: -71.830713
where:
bonds (distance) C4'-P energy: -24.404
bonds (distance) P-C4' energy: -22.026
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: 0.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 244
Temperature: 1.666667
Total energy: -81.585057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.585057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.585057 (E_RNA)
where:
Base-Base interactions energy: -26.776
where: short stacking energy: -26.776
Base-Backbone interact. energy: 0.935
local terms energy: -55.744225
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -1.077
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 2.050000
Total energy: -64.864886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.864886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.864886 (E_RNA)
where:
Base-Base interactions energy: -14.294
where: short stacking energy: -13.659
Base-Backbone interact. energy: -1.307
local terms energy: -49.263009
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -9.565
flat angles P-C4'-P energy: -2.545
tors. eta vs tors. theta energy: 5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 244
Temperature: 2.433333
Total energy: -47.424021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.424021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.424021 (E_RNA)
where:
Base-Base interactions energy: -13.390
where: short stacking energy: -10.453
Base-Backbone interact. energy: 4.199
local terms energy: -38.232862
where:
bonds (distance) C4'-P energy: -9.207
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -8.872
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: 6.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 244
Temperature: 2.816667
Total energy: -32.699591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.699591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.699591 (E_RNA)
where:
Base-Base interactions energy: -6.578
where: short stacking energy: -8.600
Base-Backbone interact. energy: -0.950
local terms energy: -25.172246
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -8.717
flat angles C4'-P-C4' energy: -0.772
flat angles P-C4'-P energy: -2.624
tors. eta vs tors. theta energy: 6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 244
Temperature: 3.200000
Total energy: -24.511147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.511147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.511147 (E_RNA)
where:
Base-Base interactions energy: -1.037
where: short stacking energy: -6.719
Base-Backbone interact. energy: 0.558
local terms energy: -24.032485
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -16.922
flat angles C4'-P-C4' energy: -0.221
flat angles P-C4'-P energy: 0.465
tors. eta vs tors. theta energy: 7.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 244
Temperature: 3.583333
Total energy: -14.849708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.849708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.849708 (E_RNA)
where:
Base-Base interactions energy: -7.500
where: short stacking energy: -1.107
Base-Backbone interact. energy: 1.107
local terms energy: -8.457533
where:
bonds (distance) C4'-P energy: -7.074
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -2.348
flat angles P-C4'-P energy: -4.433
tors. eta vs tors. theta energy: 20.269
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: 10
=====================================
Write number: 244
Temperature: 3.966667
Total energy: -5.429274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.429274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.429274 (E_RNA)
where:
Base-Base interactions energy: -13.141
where: short stacking energy: -3.750
Base-Backbone interact. energy: 0.815
local terms energy: 6.896322
where:
bonds (distance) C4'-P energy: -2.353
bonds (distance) P-C4' energy: -7.519
flat angles C4'-P-C4' energy: -2.298
flat angles P-C4'-P energy: 2.704
tors. eta vs tors. theta energy: 16.362
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: 5
=====================================
Write number: 244
Temperature: 4.350000
Total energy: -2.165827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.165827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.165827 (E_RNA)
where:
Base-Base interactions energy: -6.875
where: short stacking energy: -6.018
Base-Backbone interact. energy: 2.522
local terms energy: 2.187349
where:
bonds (distance) C4'-P energy: -4.384
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: 6.540
flat angles P-C4'-P energy: 3.752
tors. eta vs tors. theta energy: 11.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -389.781178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.781178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.781178 (E_RNA)
where:
Base-Base interactions energy: -268.071
where: short stacking energy: -122.471
Base-Backbone interact. energy: -0.002
local terms energy: -121.707845
where:
bonds (distance) C4'-P energy: -24.569
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -28.057
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -37.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 1.283333
Total energy: -148.094947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.094947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.094947 (E_RNA)
where:
Base-Base interactions energy: -62.666
where: short stacking energy: -61.204
Base-Backbone interact. energy: 0.318
local terms energy: -85.747455
where:
bonds (distance) C4'-P energy: -23.728
bonds (distance) P-C4' energy: -18.465
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -10.373
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: 245
Temperature: 1.666667
Total energy: -90.057936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.057936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.057936 (E_RNA)
where:
Base-Base interactions energy: -30.972
where: short stacking energy: -21.737
Base-Backbone interact. energy: -0.198
local terms energy: -58.888613
where:
bonds (distance) C4'-P energy: -20.483
bonds (distance) P-C4' energy: -19.584
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: 7.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 245
Temperature: 2.050000
Total energy: -68.031331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.031331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.031331 (E_RNA)
where:
Base-Base interactions energy: -17.311
where: short stacking energy: -13.136
Base-Backbone interact. energy: -0.151
local terms energy: -50.569525
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -22.023
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: 7.737
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: 3
=====================================
Write number: 245
Temperature: 2.433333
Total energy: -46.437298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.437298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.437298 (E_RNA)
where:
Base-Base interactions energy: -12.765
where: short stacking energy: -12.765
Base-Backbone interact. energy: -0.189
local terms energy: -33.482474
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -0.477
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: 2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 245
Temperature: 2.816667
Total energy: -34.682844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.682844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.682844 (E_RNA)
where:
Base-Base interactions energy: -5.009
where: short stacking energy: -4.483
Base-Backbone interact. energy: -0.245
local terms energy: -29.428777
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -0.874
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: 13.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 245
Temperature: 3.200000
Total energy: -21.875270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.875270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.875270 (E_RNA)
where:
Base-Base interactions energy: 0.697
where: short stacking energy: -0.103
Base-Backbone interact. energy: 0.532
local terms energy: -23.104527
where:
bonds (distance) C4'-P energy: -6.636
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -5.069
flat angles P-C4'-P energy: 0.818
tors. eta vs tors. theta energy: 8.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 245
Temperature: 3.583333
Total energy: -16.617375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.617375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.617375 (E_RNA)
where:
Base-Base interactions energy: -3.609
where: short stacking energy: -2.089
Base-Backbone interact. energy: 0.425
local terms energy: -13.433108
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -7.532
flat angles C4'-P-C4' energy: -3.572
flat angles P-C4'-P energy: 4.107
tors. eta vs tors. theta energy: 12.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 245
Temperature: 3.966667
Total energy: -6.939339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.939339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.939339 (E_RNA)
where:
Base-Base interactions energy: 0.979
where: short stacking energy: 0.836
Base-Backbone interact. energy: -0.851
local terms energy: -7.067459
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -6.979
flat angles P-C4'-P energy: 12.019
tors. eta vs tors. theta energy: 18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 245
Temperature: 4.350000
Total energy: -2.645974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.645974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.645974 (E_RNA)
where:
Base-Base interactions energy: -6.780
where: short stacking energy: -5.613
Base-Backbone interact. energy: -0.630
local terms energy: 4.763598
where:
bonds (distance) C4'-P energy: -4.317
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: 1.839
flat angles P-C4'-P energy: 5.279
tors. eta vs tors. theta energy: 13.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -380.989320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.989320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.989320 (E_RNA)
where:
Base-Base interactions energy: -247.937
where: short stacking energy: -115.642
Base-Backbone interact. energy: -2.274
local terms energy: -130.777876
where:
bonds (distance) C4'-P energy: -23.070
bonds (distance) P-C4' energy: -27.623
flat angles C4'-P-C4' energy: -26.935
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -38.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 246
Temperature: 1.283333
Total energy: -168.862366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.862366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.862366 (E_RNA)
where:
Base-Base interactions energy: -82.627
where: short stacking energy: -59.933
Base-Backbone interact. energy: -0.024
local terms energy: -86.210658
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -30.004
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -9.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 246
Temperature: 1.666667
Total energy: -81.408083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.408083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.408083 (E_RNA)
where:
Base-Base interactions energy: -23.764
where: short stacking energy: -19.885
Base-Backbone interact. energy: -0.279
local terms energy: -57.365369
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: 3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 246
Temperature: 2.050000
Total energy: -65.595568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.595568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.595568 (E_RNA)
where:
Base-Base interactions energy: -17.262
where: short stacking energy: -15.809
Base-Backbone interact. energy: -0.783
local terms energy: -47.550073
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: 7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 246
Temperature: 2.433333
Total energy: -52.407768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.407768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.407768 (E_RNA)
where:
Base-Base interactions energy: -4.464
where: short stacking energy: -3.077
Base-Backbone interact. energy: -0.508
local terms energy: -47.436085
where:
bonds (distance) C4'-P energy: -23.159
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: 13.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 246
Temperature: 2.816667
Total energy: -30.059426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.059426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.059426 (E_RNA)
where:
Base-Base interactions energy: -0.355
where: short stacking energy: -0.888
Base-Backbone interact. energy: 0.644
local terms energy: -30.348481
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -20.457
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: 0.650
tors. eta vs tors. theta energy: 13.356
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: 9
=====================================
Write number: 246
Temperature: 3.200000
Total energy: -24.818848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.818848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.818848 (E_RNA)
where:
Base-Base interactions energy: -5.744
where: short stacking energy: -4.575
Base-Backbone interact. energy: -0.672
local terms energy: -18.403355
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -11.677
flat angles C4'-P-C4' energy: 1.045
flat angles P-C4'-P energy: -3.127
tors. eta vs tors. theta energy: 13.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 246
Temperature: 3.583333
Total energy: -20.814533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.814533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.814533 (E_RNA)
where:
Base-Base interactions energy: -3.026
where: short stacking energy: 0.000
Base-Backbone interact. energy: 4.989
local terms energy: -22.777641
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: -9.341
flat angles P-C4'-P energy: -1.092
tors. eta vs tors. theta energy: 16.822
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: 10
=====================================
Write number: 246
Temperature: 3.966667
Total energy: -2.373445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.373445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.373445 (E_RNA)
where:
Base-Base interactions energy: -2.018
where: short stacking energy: -2.018
Base-Backbone interact. energy: -1.388
local terms energy: 1.032996
where:
bonds (distance) C4'-P energy: 0.941
bonds (distance) P-C4' energy: -18.945
flat angles C4'-P-C4' energy: -2.327
flat angles P-C4'-P energy: 9.874
tors. eta vs tors. theta energy: 11.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 246
Temperature: 4.350000
Total energy: -19.113839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.113839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.113839 (E_RNA)
where:
Base-Base interactions energy: -4.274
where: short stacking energy: -4.274
Base-Backbone interact. energy: 1.118
local terms energy: -15.958256
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -8.749
flat angles P-C4'-P energy: -2.613
tors. eta vs tors. theta energy: 20.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -400.833972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.833972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.833972 (E_RNA)
where:
Base-Base interactions energy: -267.992
where: short stacking energy: -125.720
Base-Backbone interact. energy: 0.485
local terms energy: -133.326528
where:
bonds (distance) C4'-P energy: -26.777
bonds (distance) P-C4' energy: -24.545
flat angles C4'-P-C4' energy: -29.075
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -38.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 247
Temperature: 1.283333
Total energy: -158.521551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.521551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.521551 (E_RNA)
where:
Base-Base interactions energy: -74.339
where: short stacking energy: -38.441
Base-Backbone interact. energy: -0.423
local terms energy: -83.759775
where:
bonds (distance) C4'-P energy: -22.422
bonds (distance) P-C4' energy: -23.930
flat angles C4'-P-C4' energy: -22.226
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 247
Temperature: 1.666667
Total energy: -84.544090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.544090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.544090 (E_RNA)
where:
Base-Base interactions energy: -26.016
where: short stacking energy: -26.016
Base-Backbone interact. energy: -0.742
local terms energy: -57.786472
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -20.196
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: 7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 247
Temperature: 2.050000
Total energy: -86.220418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.220418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.220418 (E_RNA)
where:
Base-Base interactions energy: -32.753
where: short stacking energy: -30.057
Base-Backbone interact. energy: -1.383
local terms energy: -52.085081
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -19.777
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: 6.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 2.433333
Total energy: -51.631105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.631105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.631105 (E_RNA)
where:
Base-Base interactions energy: -15.300
where: short stacking energy: -8.793
Base-Backbone interact. energy: 4.358
local terms energy: -40.688761
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -2.939
tors. eta vs tors. theta energy: 11.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 247
Temperature: 2.816667
Total energy: -33.096077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.096077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.096077 (E_RNA)
where:
Base-Base interactions energy: -7.869
where: short stacking energy: -4.971
Base-Backbone interact. energy: -1.477
local terms energy: -23.750447
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: 8.327
tors. eta vs tors. theta energy: 15.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 247
Temperature: 3.200000
Total energy: -36.577556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.577556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.577556 (E_RNA)
where:
Base-Base interactions energy: -7.640
where: short stacking energy: -2.286
Base-Backbone interact. energy: -0.751
local terms energy: -28.187117
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -6.072
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -3.315
tors. eta vs tors. theta energy: 18.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 247
Temperature: 3.583333
Total energy: -15.114615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.114615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.114615 (E_RNA)
where:
Base-Base interactions energy: -9.970
where: short stacking energy: -3.380
Base-Backbone interact. energy: -0.812
local terms energy: -4.332381
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -4.128
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: 9.652
tors. eta vs tors. theta energy: 16.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 247
Temperature: 3.966667
Total energy: -7.540628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.540628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.540628 (E_RNA)
where:
Base-Base interactions energy: -1.568
where: short stacking energy: 0.700
Base-Backbone interact. energy: -0.118
local terms energy: -5.854566
where:
bonds (distance) C4'-P energy: -2.708
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -8.222
flat angles P-C4'-P energy: 0.833
tors. eta vs tors. theta energy: 19.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 247
Temperature: 4.350000
Total energy: -5.558249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.558249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.558249 (E_RNA)
where:
Base-Base interactions energy: -4.093
where: short stacking energy: -0.547
Base-Backbone interact. energy: 0.651
local terms energy: -2.116622
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -10.335
flat angles C4'-P-C4' energy: -3.236
flat angles P-C4'-P energy: 6.340
tors. eta vs tors. theta energy: 19.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -390.962467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.962467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.962467 (E_RNA)
where:
Base-Base interactions energy: -268.436
where: short stacking energy: -129.806
Base-Backbone interact. energy: -0.244
local terms energy: -122.282692
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -28.654
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -36.910
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: 2
=====================================
Write number: 248
Temperature: 1.283333
Total energy: -196.619521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.619521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.619521 (E_RNA)
where:
Base-Base interactions energy: -117.750
where: short stacking energy: -71.086
Base-Backbone interact. energy: -0.395
local terms energy: -78.474554
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -15.824
tors. eta vs tors. theta energy: -10.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 248
Temperature: 1.666667
Total energy: -83.531672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.531672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.531672 (E_RNA)
where:
Base-Base interactions energy: -31.008
where: short stacking energy: -25.791
Base-Backbone interact. energy: -1.183
local terms energy: -51.340106
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: 6.572
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: 7
=====================================
Write number: 248
Temperature: 2.050000
Total energy: -71.979344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.979344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.979344 (E_RNA)
where:
Base-Base interactions energy: -14.568
where: short stacking energy: -13.676
Base-Backbone interact. energy: 0.407
local terms energy: -57.818461
where:
bonds (distance) C4'-P energy: -24.027
bonds (distance) P-C4' energy: -23.170
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -2.383
tors. eta vs tors. theta energy: 8.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 248
Temperature: 2.433333
Total energy: -43.581861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.581861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.581861 (E_RNA)
where:
Base-Base interactions energy: -18.278
where: short stacking energy: -11.354
Base-Backbone interact. energy: 1.328
local terms energy: -26.632513
where:
bonds (distance) C4'-P energy: -19.704
bonds (distance) P-C4' energy: -6.562
flat angles C4'-P-C4' energy: -3.946
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: 10.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 248
Temperature: 2.816667
Total energy: -38.303281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.303281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.303281 (E_RNA)
where:
Base-Base interactions energy: -7.729
where: short stacking energy: -5.661
Base-Backbone interact. energy: 0.509
local terms energy: -31.083024
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -5.261
tors. eta vs tors. theta energy: 14.944
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: 8
=====================================
Write number: 248
Temperature: 3.200000
Total energy: -35.083011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.083011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.083011 (E_RNA)
where:
Base-Base interactions energy: -9.451
where: short stacking energy: -6.839
Base-Backbone interact. energy: -1.100
local terms energy: -24.531617
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: 16.579
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: 6
=====================================
Write number: 248
Temperature: 3.583333
Total energy: -19.902424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.902424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.902424 (E_RNA)
where:
Base-Base interactions energy: -7.956
where: short stacking energy: -7.956
Base-Backbone interact. energy: 2.094
local terms energy: -14.040292
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -6.145
flat angles C4'-P-C4' energy: -1.914
flat angles P-C4'-P energy: -3.251
tors. eta vs tors. theta energy: 13.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 248
Temperature: 3.966667
Total energy: -2.055357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.055357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.055357 (E_RNA)
where:
Base-Base interactions energy: -12.348
where: short stacking energy: -0.153
Base-Backbone interact. energy: -0.679
local terms energy: 10.971387
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: 7.448
flat angles P-C4'-P energy: 8.646
tors. eta vs tors. theta energy: 22.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 248
Temperature: 4.350000
Total energy: -4.406636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.406636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.406636 (E_RNA)
where:
Base-Base interactions energy: -1.227
where: short stacking energy: -3.220
Base-Backbone interact. energy: 2.651
local terms energy: -5.830506
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -2.436
flat angles P-C4'-P energy: 8.997
tors. eta vs tors. theta energy: 16.077
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: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -392.861677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.861677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.861677 (E_RNA)
where:
Base-Base interactions energy: -262.817
where: short stacking energy: -124.502
Base-Backbone interact. energy: -1.069
local terms energy: -128.976498
where:
bonds (distance) C4'-P energy: -24.846
bonds (distance) P-C4' energy: -25.887
flat angles C4'-P-C4' energy: -28.974
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -35.287
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: 2
=====================================
Write number: 249
Temperature: 1.283333
Total energy: -166.613079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.613079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.613079 (E_RNA)
where:
Base-Base interactions energy: -78.208
where: short stacking energy: -50.695
Base-Backbone interact. energy: 0.175
local terms energy: -88.579899
where:
bonds (distance) C4'-P energy: -23.443
bonds (distance) P-C4' energy: -23.130
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -10.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 249
Temperature: 1.666667
Total energy: -83.803949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.803949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.803949 (E_RNA)
where:
Base-Base interactions energy: -22.007
where: short stacking energy: -16.581
Base-Backbone interact. energy: -0.452
local terms energy: -61.344304
where:
bonds (distance) C4'-P energy: -25.420
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: 10.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 249
Temperature: 2.050000
Total energy: -63.533689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.533689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.533689 (E_RNA)
where:
Base-Base interactions energy: -24.770
where: short stacking energy: -21.595
Base-Backbone interact. energy: -0.072
local terms energy: -38.691613
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -3.381
tors. eta vs tors. theta energy: 8.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 249
Temperature: 2.433333
Total energy: -50.707246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.707246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.707246 (E_RNA)
where:
Base-Base interactions energy: -10.625
where: short stacking energy: -8.298
Base-Backbone interact. energy: -0.766
local terms energy: -39.316065
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -1.936
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: 7.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 249
Temperature: 2.816667
Total energy: -33.451211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.451211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.451211 (E_RNA)
where:
Base-Base interactions energy: -4.412
where: short stacking energy: -3.318
Base-Backbone interact. energy: 1.880
local terms energy: -30.919919
where:
bonds (distance) C4'-P energy: -6.609
bonds (distance) P-C4' energy: -23.393
flat angles C4'-P-C4' energy: -4.184
flat angles P-C4'-P energy: -4.699
tors. eta vs tors. theta energy: 7.965
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: 3
=====================================
Write number: 249
Temperature: 3.200000
Total energy: -22.616998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.616998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.616998 (E_RNA)
where:
Base-Base interactions energy: -5.823
where: short stacking energy: -5.823
Base-Backbone interact. energy: -0.038
local terms energy: -16.755635
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -7.443
flat angles P-C4'-P energy: 11.558
tors. eta vs tors. theta energy: 11.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 249
Temperature: 3.583333
Total energy: -12.035864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.035864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.035864 (E_RNA)
where:
Base-Base interactions energy: -6.350
where: short stacking energy: -7.550
Base-Backbone interact. energy: 5.593
local terms energy: -11.278664
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: 0.446
flat angles P-C4'-P energy: 9.311
tors. eta vs tors. theta energy: 11.260
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: 6
=====================================
Write number: 249
Temperature: 3.966667
Total energy: -14.623200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.623200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.623200 (E_RNA)
where:
Base-Base interactions energy: 0.717
where: short stacking energy: 0.717
Base-Backbone interact. energy: -0.022
local terms energy: -15.317614
where:
bonds (distance) C4'-P energy: -6.740
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -7.778
flat angles P-C4'-P energy: 4.031
tors. eta vs tors. theta energy: 15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 4.350000
Total energy: -2.866964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.866964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.866964 (E_RNA)
where:
Base-Base interactions energy: -0.590
where: short stacking energy: -0.112
Base-Backbone interact. energy: 6.508
local terms energy: -8.784765
where:
bonds (distance) C4'-P energy: -6.942
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: 1.710
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: 20.157
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: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -382.116762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.116762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.116762 (E_RNA)
where:
Base-Base interactions energy: -252.179
where: short stacking energy: -115.829
Base-Backbone interact. energy: -1.383
local terms energy: -128.555093
where:
bonds (distance) C4'-P energy: -26.698
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -27.375
flat angles P-C4'-P energy: -18.989
tors. eta vs tors. theta energy: -32.635
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: 2
=====================================
Write number: 250
Temperature: 1.283333
Total energy: -169.209164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.209164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.209164 (E_RNA)
where:
Base-Base interactions energy: -90.439
where: short stacking energy: -44.570
Base-Backbone interact. energy: -0.582
local terms energy: -78.187746
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -22.379
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 250
Temperature: 1.666667
Total energy: -88.162891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.162891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.162891 (E_RNA)
where:
Base-Base interactions energy: -32.126
where: short stacking energy: -32.055
Base-Backbone interact. energy: 0.320
local terms energy: -56.357019
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -8.640
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -2.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 250
Temperature: 2.050000
Total energy: -72.177988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.177988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.177988 (E_RNA)
where:
Base-Base interactions energy: -14.920
where: short stacking energy: -13.746
Base-Backbone interact. energy: -0.219
local terms energy: -57.038908
where:
bonds (distance) C4'-P energy: -20.626
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: 8.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 250
Temperature: 2.433333
Total energy: -48.786306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.786306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.786306 (E_RNA)
where:
Base-Base interactions energy: -12.513
where: short stacking energy: -14.313
Base-Backbone interact. energy: -0.377
local terms energy: -35.896182
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -2.904
tors. eta vs tors. theta energy: 11.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 250
Temperature: 2.816667
Total energy: -29.399797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.399797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.399797 (E_RNA)
where:
Base-Base interactions energy: -3.668
where: short stacking energy: -1.772
Base-Backbone interact. energy: 11.341
local terms energy: -37.072110
where:
bonds (distance) C4'-P energy: -4.228
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: 8.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 250
Temperature: 3.200000
Total energy: -31.836228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.836228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.836228 (E_RNA)
where:
Base-Base interactions energy: -9.430
where: short stacking energy: -7.207
Base-Backbone interact. energy: 1.227
local terms energy: -23.633086
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -6.826
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: 15.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 250
Temperature: 3.583333
Total energy: -22.763309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.763309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.763309 (E_RNA)
where:
Base-Base interactions energy: -1.124
where: short stacking energy: -1.124
Base-Backbone interact. energy: -0.390
local terms energy: -21.250069
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -1.198
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: 14.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 250
Temperature: 3.966667
Total energy: -24.518014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.518014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.518014 (E_RNA)
where:
Base-Base interactions energy: -4.396
where: short stacking energy: -3.904
Base-Backbone interact. energy: 1.703
local terms energy: -21.825232
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -3.689
flat angles P-C4'-P energy: -3.615
tors. eta vs tors. theta energy: 18.611
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: 10
=====================================
Write number: 250
Temperature: 4.350000
Total energy: -5.371035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.371035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.371035 (E_RNA)
where:
Base-Base interactions energy: -1.621
where: short stacking energy: -2.065
Base-Backbone interact. energy: 1.621
local terms energy: -5.370676
where:
bonds (distance) C4'-P energy: -9.580
bonds (distance) P-C4' energy: -3.416
flat angles C4'-P-C4' energy: -5.484
flat angles P-C4'-P energy: -2.632
tors. eta vs tors. theta energy: 15.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -392.055744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.055744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.055744 (E_RNA)
where:
Base-Base interactions energy: -271.284
where: short stacking energy: -126.043
Base-Backbone interact. energy: -0.306
local terms energy: -120.466186
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -24.477
flat angles C4'-P-C4' energy: -27.317
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -32.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 251
Temperature: 1.283333
Total energy: -189.268292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.268292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.268292 (E_RNA)
where:
Base-Base interactions energy: -113.461
where: short stacking energy: -65.805
Base-Backbone interact. energy: -0.168
local terms energy: -75.639453
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -8.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.666667
Total energy: -84.255665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.255665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.255665 (E_RNA)
where:
Base-Base interactions energy: -28.989
where: short stacking energy: -22.193
Base-Backbone interact. energy: -0.732
local terms energy: -54.534370
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: 3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 251
Temperature: 2.050000
Total energy: -67.055966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.055966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.055966 (E_RNA)
where:
Base-Base interactions energy: -19.122
where: short stacking energy: -18.058
Base-Backbone interact. energy: -1.277
local terms energy: -46.656387
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -5.217
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: 6.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 251
Temperature: 2.433333
Total energy: -42.741912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.741912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.741912 (E_RNA)
where:
Base-Base interactions energy: -11.679
where: short stacking energy: -11.679
Base-Backbone interact. energy: -1.318
local terms energy: -29.744907
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -21.153
flat angles C4'-P-C4' energy: -3.287
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: 8.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 251
Temperature: 2.816667
Total energy: -40.911830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.911830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.911830 (E_RNA)
where:
Base-Base interactions energy: -5.140
where: short stacking energy: -5.501
Base-Backbone interact. energy: 0.915
local terms energy: -36.686812
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -5.525
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: 14.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 251
Temperature: 3.200000
Total energy: -31.304200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.304200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.304200 (E_RNA)
where:
Base-Base interactions energy: -7.457
where: short stacking energy: -7.547
Base-Backbone interact. energy: 4.719
local terms energy: -28.565603
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -3.239
flat angles P-C4'-P energy: -1.557
tors. eta vs tors. theta energy: 11.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 251
Temperature: 3.583333
Total energy: -14.813580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.813580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.813580 (E_RNA)
where:
Base-Base interactions energy: -5.210
where: short stacking energy: -3.332
Base-Backbone interact. energy: 5.717
local terms energy: -15.320050
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: 1.997
flat angles P-C4'-P energy: -1.045
tors. eta vs tors. theta energy: 17.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 251
Temperature: 3.966667
Total energy: -5.974418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.974418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.974418 (E_RNA)
where:
Base-Base interactions energy: -6.046
where: short stacking energy: -5.648
Base-Backbone interact. energy: -0.435
local terms energy: 0.506817
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: 3.796
flat angles P-C4'-P energy: 7.432
tors. eta vs tors. theta energy: 14.656
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: 10
=====================================
Write number: 251
Temperature: 4.350000
Total energy: -1.713781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.713781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.713781 (E_RNA)
where:
Base-Base interactions energy: -0.983
where: short stacking energy: -0.313
Base-Backbone interact. energy: -0.342
local terms energy: -0.388493
where:
bonds (distance) C4'-P energy: -9.609
bonds (distance) P-C4' energy: -10.289
flat angles C4'-P-C4' energy: -5.391
flat angles P-C4'-P energy: 11.406
tors. eta vs tors. theta energy: 13.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -384.017876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.017876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.017876 (E_RNA)
where:
Base-Base interactions energy: -255.355
where: short stacking energy: -116.987
Base-Backbone interact. energy: -1.093
local terms energy: -127.570271
where:
bonds (distance) C4'-P energy: -25.317
bonds (distance) P-C4' energy: -24.583
flat angles C4'-P-C4' energy: -25.744
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: -33.346
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: 2
=====================================
Write number: 252
Temperature: 1.283333
Total energy: -196.796757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.796757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.796757 (E_RNA)
where:
Base-Base interactions energy: -109.920
where: short stacking energy: -61.977
Base-Backbone interact. energy: -1.408
local terms energy: -85.468378
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -27.709
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.666667
Total energy: -100.219311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.219311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.219311 (E_RNA)
where:
Base-Base interactions energy: -33.570
where: short stacking energy: -30.844
Base-Backbone interact. energy: -0.181
local terms energy: -66.467850
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 252
Temperature: 2.050000
Total energy: -77.815281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.815281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.815281 (E_RNA)
where:
Base-Base interactions energy: -23.334
where: short stacking energy: -22.451
Base-Backbone interact. energy: 0.952
local terms energy: -55.433602
where:
bonds (distance) C4'-P energy: -24.638
bonds (distance) P-C4' energy: -20.385
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -3.870
tors. eta vs tors. theta energy: 8.309
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: 8
=====================================
Write number: 252
Temperature: 2.433333
Total energy: -40.827259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.827259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.827259 (E_RNA)
where:
Base-Base interactions energy: -1.086
where: short stacking energy: 0.694
Base-Backbone interact. energy: -1.040
local terms energy: -38.701912
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: 15.690
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: 252
Temperature: 2.816667
Total energy: -30.328607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.328607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.328607 (E_RNA)
where:
Base-Base interactions energy: -7.406
where: short stacking energy: -8.412
Base-Backbone interact. energy: -0.994
local terms energy: -21.927890
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -2.202
flat angles P-C4'-P energy: -0.357
tors. eta vs tors. theta energy: 15.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 252
Temperature: 3.200000
Total energy: -32.553340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.553340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.553340 (E_RNA)
where:
Base-Base interactions energy: -7.163
where: short stacking energy: -6.781
Base-Backbone interact. energy: -0.734
local terms energy: -24.656396
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -1.836
tors. eta vs tors. theta energy: 19.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 252
Temperature: 3.583333
Total energy: -21.670092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.670092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.670092 (E_RNA)
where:
Base-Base interactions energy: -5.157
where: short stacking energy: -3.681
Base-Backbone interact. energy: 4.105
local terms energy: -20.618900
where:
bonds (distance) C4'-P energy: -7.427
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -3.417
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: 10.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 252
Temperature: 3.966667
Total energy: -7.921694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.921694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.921694 (E_RNA)
where:
Base-Base interactions energy: -1.330
where: short stacking energy: -2.185
Base-Backbone interact. energy: 1.298
local terms energy: -7.889745
where:
bonds (distance) C4'-P energy: -6.231
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -5.747
flat angles P-C4'-P energy: 0.880
tors. eta vs tors. theta energy: 16.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 4.350000
Total energy: 3.811463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 3.811463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 3.811463 (E_RNA)
where:
Base-Base interactions energy: -5.658
where: short stacking energy: -4.968
Base-Backbone interact. energy: -0.273
local terms energy: 9.742866
where:
bonds (distance) C4'-P energy: -2.172
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: 7.383
flat angles P-C4'-P energy: 4.059
tors. eta vs tors. theta energy: 15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -383.908471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.908471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.908471 (E_RNA)
where:
Base-Base interactions energy: -249.126
where: short stacking energy: -118.636
Base-Backbone interact. energy: -1.770
local terms energy: -133.011929
where:
bonds (distance) C4'-P energy: -24.222
bonds (distance) P-C4' energy: -24.514
flat angles C4'-P-C4' energy: -26.794
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -36.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 253
Temperature: 1.283333
Total energy: -198.437549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.437549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.437549 (E_RNA)
where:
Base-Base interactions energy: -122.376
where: short stacking energy: -57.872
Base-Backbone interact. energy: -0.198
local terms energy: -75.863928
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -9.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.666667
Total energy: -81.136892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.136892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.136892 (E_RNA)
where:
Base-Base interactions energy: -31.157
where: short stacking energy: -12.666
Base-Backbone interact. energy: -0.380
local terms energy: -49.599917
where:
bonds (distance) C4'-P energy: -20.374
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: 9.176
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: 4
=====================================
Write number: 253
Temperature: 2.050000
Total energy: -70.400618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.400618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.400618 (E_RNA)
where:
Base-Base interactions energy: -18.628
where: short stacking energy: -14.131
Base-Backbone interact. energy: 0.413
local terms energy: -52.185412
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -21.832
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: 14.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 253
Temperature: 2.433333
Total energy: -46.122196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.122196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.122196 (E_RNA)
where:
Base-Base interactions energy: -9.495
where: short stacking energy: -9.495
Base-Backbone interact. energy: 1.112
local terms energy: -37.738950
where:
bonds (distance) C4'-P energy: -8.027
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: 14.191
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: 6, replica: 6
=====================================
Write number: 253
Temperature: 2.816667
Total energy: -38.652965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.652965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.652965 (E_RNA)
where:
Base-Base interactions energy: -23.210
where: short stacking energy: -15.323
Base-Backbone interact. energy: -0.862
local terms energy: -14.580682
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: 0.682
flat angles P-C4'-P energy: 4.923
tors. eta vs tors. theta energy: 9.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 253
Temperature: 3.200000
Total energy: -21.047038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.047038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.047038 (E_RNA)
where:
Base-Base interactions energy: -8.846
where: short stacking energy: -4.714
Base-Backbone interact. energy: -0.403
local terms energy: -11.797755
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -3.596
flat angles C4'-P-C4' energy: -1.808
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: 16.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 253
Temperature: 3.583333
Total energy: -14.505268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.505268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.505268 (E_RNA)
where:
Base-Base interactions energy: -0.582
where: short stacking energy: -0.582
Base-Backbone interact. energy: -0.227
local terms energy: -13.695435
where:
bonds (distance) C4'-P energy: 0.156
bonds (distance) P-C4' energy: -24.470
flat angles C4'-P-C4' energy: -0.747
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: 19.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 253
Temperature: 3.966667
Total energy: -10.314693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.314693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.314693 (E_RNA)
where:
Base-Base interactions energy: -5.730
where: short stacking energy: 1.055
Base-Backbone interact. energy: -0.300
local terms energy: -4.284794
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: 8.899
flat angles P-C4'-P energy: 3.497
tors. eta vs tors. theta energy: 16.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 4.350000
Total energy: -12.796828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.796828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.796828 (E_RNA)
where:
Base-Base interactions energy: 0.396
where: short stacking energy: 0.475
Base-Backbone interact. energy: 0.560
local terms energy: -13.752984
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -9.317
flat angles P-C4'-P energy: 11.507
tors. eta vs tors. theta energy: 17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -380.657384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.657384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.657384 (E_RNA)
where:
Base-Base interactions energy: -251.653
where: short stacking energy: -114.281
Base-Backbone interact. energy: -0.302
local terms energy: -128.703287
where:
bonds (distance) C4'-P energy: -29.202
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -25.232
flat angles P-C4'-P energy: -18.248
tors. eta vs tors. theta energy: -33.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 254
Temperature: 1.283333
Total energy: -195.047413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.047413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.047413 (E_RNA)
where:
Base-Base interactions energy: -101.282
where: short stacking energy: -55.248
Base-Backbone interact. energy: -1.341
local terms energy: -92.424237
where:
bonds (distance) C4'-P energy: -22.232
bonds (distance) P-C4' energy: -23.513
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -18.641
tors. eta vs tors. theta energy: -11.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 254
Temperature: 1.666667
Total energy: -85.878829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.878829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.878829 (E_RNA)
where:
Base-Base interactions energy: -20.695
where: short stacking energy: -20.020
Base-Backbone interact. energy: -0.337
local terms energy: -64.847360
where:
bonds (distance) C4'-P energy: -23.093
bonds (distance) P-C4' energy: -24.539
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: 10.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 254
Temperature: 2.050000
Total energy: -71.671594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.671594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.671594 (E_RNA)
where:
Base-Base interactions energy: -15.438
where: short stacking energy: -15.838
Base-Backbone interact. energy: 3.920
local terms energy: -60.154010
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: 6.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 254
Temperature: 2.433333
Total energy: -45.953768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.953768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.953768 (E_RNA)
where:
Base-Base interactions energy: -14.896
where: short stacking energy: -3.954
Base-Backbone interact. energy: 1.163
local terms energy: -32.221118
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -0.067
tors. eta vs tors. theta energy: 13.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 254
Temperature: 2.816667
Total energy: -33.601807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.601807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.601807 (E_RNA)
where:
Base-Base interactions energy: -8.029
where: short stacking energy: -3.889
Base-Backbone interact. energy: -0.301
local terms energy: -25.272192
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -6.525
flat angles P-C4'-P energy: -3.839
tors. eta vs tors. theta energy: 12.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 3.200000
Total energy: -29.196680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.196680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.196680 (E_RNA)
where:
Base-Base interactions energy: -5.372
where: short stacking energy: -5.372
Base-Backbone interact. energy: 0.209
local terms energy: -24.033969
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -2.003
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: 18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 3.583333
Total energy: -11.742712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.742712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.742712 (E_RNA)
where:
Base-Base interactions energy: -5.502
where: short stacking energy: -5.421
Base-Backbone interact. energy: -0.281
local terms energy: -5.959694
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -8.007
flat angles C4'-P-C4' energy: 3.013
flat angles P-C4'-P energy: -4.966
tors. eta vs tors. theta energy: 16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 254
Temperature: 3.966667
Total energy: -14.537084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.537084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.537084 (E_RNA)
where:
Base-Base interactions energy: -11.724
where: short stacking energy: -10.475
Base-Backbone interact. energy: 3.583
local terms energy: -6.396175
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -5.808
flat angles C4'-P-C4' energy: -8.833
flat angles P-C4'-P energy: 2.506
tors. eta vs tors. theta energy: 18.722
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: 10, replica: 7
=====================================
Write number: 254
Temperature: 4.350000
Total energy: -3.650880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.650880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.650880 (E_RNA)
where:
Base-Base interactions energy: -7.951
where: short stacking energy: -3.540
Base-Backbone interact. energy: 1.055
local terms energy: 3.244462
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -3.736
flat angles C4'-P-C4' energy: 5.127
flat angles P-C4'-P energy: -3.083
tors. eta vs tors. theta energy: 16.860
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: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -374.396456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.396456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.396456 (E_RNA)
where:
Base-Base interactions energy: -241.880
where: short stacking energy: -119.881
Base-Backbone interact. energy: -0.033
local terms energy: -132.482876
where:
bonds (distance) C4'-P energy: -26.049
bonds (distance) P-C4' energy: -26.998
flat angles C4'-P-C4' energy: -29.126
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: -33.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 255
Temperature: 1.283333
Total energy: -193.364942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.364942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.364942 (E_RNA)
where:
Base-Base interactions energy: -111.548
where: short stacking energy: -60.695
Base-Backbone interact. energy: -0.790
local terms energy: -81.027070
where:
bonds (distance) C4'-P energy: -25.414
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 255
Temperature: 1.666667
Total energy: -88.834097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.834097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.834097 (E_RNA)
where:
Base-Base interactions energy: -44.747
where: short stacking energy: -25.411
Base-Backbone interact. energy: -0.451
local terms energy: -43.635884
where:
bonds (distance) C4'-P energy: -22.618
bonds (distance) P-C4' energy: -20.926
flat angles C4'-P-C4' energy: 1.431
flat angles P-C4'-P energy: -3.269
tors. eta vs tors. theta energy: 1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 255
Temperature: 2.050000
Total energy: -67.247968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.247968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.247968 (E_RNA)
where:
Base-Base interactions energy: -17.808
where: short stacking energy: -10.055
Base-Backbone interact. energy: -1.386
local terms energy: -48.053946
where:
bonds (distance) C4'-P energy: -21.281
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: 12.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 255
Temperature: 2.433333
Total energy: -52.861868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.861868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.861868 (E_RNA)
where:
Base-Base interactions energy: -11.730
where: short stacking energy: -10.715
Base-Backbone interact. energy: 3.676
local terms energy: -44.808061
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -7.068
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: 10.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 255
Temperature: 2.816667
Total energy: -43.352222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.352222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.352222 (E_RNA)
where:
Base-Base interactions energy: -21.790
where: short stacking energy: -20.400
Base-Backbone interact. energy: -0.534
local terms energy: -21.028127
where:
bonds (distance) C4'-P energy: -7.406
bonds (distance) P-C4' energy: -10.167
flat angles C4'-P-C4' energy: -4.840
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: 9.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 255
Temperature: 3.200000
Total energy: -24.293625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.293625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.293625 (E_RNA)
where:
Base-Base interactions energy: -5.465
where: short stacking energy: -3.992
Base-Backbone interact. energy: -1.042
local terms energy: -17.787309
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -22.447
flat angles C4'-P-C4' energy: -2.299
flat angles P-C4'-P energy: -2.994
tors. eta vs tors. theta energy: 19.529
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: 255
Temperature: 3.583333
Total energy: -14.918414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.918414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.918414 (E_RNA)
where:
Base-Base interactions energy: -5.953
where: short stacking energy: -3.920
Base-Backbone interact. energy: -0.640
local terms energy: -8.325506
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -9.652
flat angles C4'-P-C4' energy: -0.286
flat angles P-C4'-P energy: 3.711
tors. eta vs tors. theta energy: 11.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 255
Temperature: 3.966667
Total energy: -14.876008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.876008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.876008 (E_RNA)
where:
Base-Base interactions energy: -2.892
where: short stacking energy: 0.100
Base-Backbone interact. energy: 0.494
local terms energy: -12.478146
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -8.461
flat angles C4'-P-C4' energy: 1.516
flat angles P-C4'-P energy: -1.677
tors. eta vs tors. theta energy: 10.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 4.350000
Total energy: -3.548407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.548407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.548407 (E_RNA)
where:
Base-Base interactions energy: -2.190
where: short stacking energy: -2.481
Base-Backbone interact. energy: 3.489
local terms energy: -4.846892
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -10.826
flat angles C4'-P-C4' energy: -8.040
flat angles P-C4'-P energy: 11.061
tors. eta vs tors. theta energy: 17.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -376.908236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.908236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.908236 (E_RNA)
where:
Base-Base interactions energy: -244.022
where: short stacking energy: -111.806
Base-Backbone interact. energy: -0.467
local terms energy: -132.419590
where:
bonds (distance) C4'-P energy: -27.887
bonds (distance) P-C4' energy: -23.938
flat angles C4'-P-C4' energy: -25.912
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: -37.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 256
Temperature: 1.283333
Total energy: -201.947888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.947888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.947888 (E_RNA)
where:
Base-Base interactions energy: -114.596
where: short stacking energy: -65.470
Base-Backbone interact. energy: -0.598
local terms energy: -86.753433
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -27.068
flat angles C4'-P-C4' energy: -24.202
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -11.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 256
Temperature: 1.666667
Total energy: -86.030657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.030657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.030657 (E_RNA)
where:
Base-Base interactions energy: -18.648
where: short stacking energy: -17.630
Base-Backbone interact. energy: -0.446
local terms energy: -66.936198
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -24.938
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: 6.743
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: 4
=====================================
Write number: 256
Temperature: 2.050000
Total energy: -58.302450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.302450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.302450 (E_RNA)
where:
Base-Base interactions energy: -9.826
where: short stacking energy: -9.022
Base-Backbone interact. energy: 0.182
local terms energy: -48.658268
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -6.355
tors. eta vs tors. theta energy: 6.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 256
Temperature: 2.433333
Total energy: -45.475119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.475119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.475119 (E_RNA)
where:
Base-Base interactions energy: -19.361
where: short stacking energy: -5.426
Base-Backbone interact. energy: -2.418
local terms energy: -23.696668
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: 4.266
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: 15.941
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: 5
=====================================
Write number: 256
Temperature: 2.816667
Total energy: -31.231451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.231451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.231451 (E_RNA)
where:
Base-Base interactions energy: -9.462
where: short stacking energy: -6.670
Base-Backbone interact. energy: -0.839
local terms energy: -20.930816
where:
bonds (distance) C4'-P energy: -7.853
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -5.992
tors. eta vs tors. theta energy: 16.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 256
Temperature: 3.200000
Total energy: -27.639268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.639268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.639268 (E_RNA)
where:
Base-Base interactions energy: -3.655
where: short stacking energy: -3.655
Base-Backbone interact. energy: -0.282
local terms energy: -23.703055
where:
bonds (distance) C4'-P energy: -4.383
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -1.877
tors. eta vs tors. theta energy: 10.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 256
Temperature: 3.583333
Total energy: -13.787193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.787193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.787193 (E_RNA)
where:
Base-Base interactions energy: -3.671
where: short stacking energy: -1.427
Base-Backbone interact. energy: 1.640
local terms energy: -11.755761
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: 9.471
tors. eta vs tors. theta energy: 19.963
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: 10
=====================================
Write number: 256
Temperature: 3.966667
Total energy: -22.212017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.212017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.212017 (E_RNA)
where:
Base-Base interactions energy: -5.428
where: short stacking energy: -3.304
Base-Backbone interact. energy: 3.055
local terms energy: -19.839429
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -0.693
flat angles P-C4'-P energy: 1.838
tors. eta vs tors. theta energy: 10.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 256
Temperature: 4.350000
Total energy: 6.483722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 6.483722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 6.483722 (E_RNA)
where:
Base-Base interactions energy: -8.675
where: short stacking energy: -8.675
Base-Backbone interact. energy: 3.726
local terms energy: 11.432712
where:
bonds (distance) C4'-P energy: 12.123
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: 16.286
tors. eta vs tors. theta energy: 13.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -376.337761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.337761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.337761 (E_RNA)
where:
Base-Base interactions energy: -248.127
where: short stacking energy: -117.897
Base-Backbone interact. energy: -0.907
local terms energy: -127.303681
where:
bonds (distance) C4'-P energy: -24.254
bonds (distance) P-C4' energy: -26.267
flat angles C4'-P-C4' energy: -26.650
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -33.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 257
Temperature: 1.283333
Total energy: -200.777672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.777672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.777672 (E_RNA)
where:
Base-Base interactions energy: -107.866
where: short stacking energy: -58.251
Base-Backbone interact. energy: -0.649
local terms energy: -92.263178
where:
bonds (distance) C4'-P energy: -21.529
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -25.795
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -7.611
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: 6
=====================================
Write number: 257
Temperature: 1.666667
Total energy: -88.043672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.043672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.043672 (E_RNA)
where:
Base-Base interactions energy: -44.042
where: short stacking energy: -38.013
Base-Backbone interact. energy: -0.301
local terms energy: -43.700824
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -1.752
tors. eta vs tors. theta energy: 1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 257
Temperature: 2.050000
Total energy: -61.552884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.552884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.552884 (E_RNA)
where:
Base-Base interactions energy: -26.184
where: short stacking energy: -21.729
Base-Backbone interact. energy: -0.717
local terms energy: -34.651064
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -21.065
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: 5.675
tors. eta vs tors. theta energy: 14.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 257
Temperature: 2.433333
Total energy: -45.600103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.600103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.600103 (E_RNA)
where:
Base-Base interactions energy: -20.392
where: short stacking energy: -19.899
Base-Backbone interact. energy: -0.016
local terms energy: -25.191737
where:
bonds (distance) C4'-P energy: -7.181
bonds (distance) P-C4' energy: -3.612
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -4.893
tors. eta vs tors. theta energy: 6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 2.816667
Total energy: -31.363210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.363210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.363210 (E_RNA)
where:
Base-Base interactions energy: -8.209
where: short stacking energy: -6.117
Base-Backbone interact. energy: 1.164
local terms energy: -24.318035
where:
bonds (distance) C4'-P energy: -7.008
bonds (distance) P-C4' energy: -21.213
flat angles C4'-P-C4' energy: -2.509
flat angles P-C4'-P energy: -3.364
tors. eta vs tors. theta energy: 9.776
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: 8
=====================================
Write number: 257
Temperature: 3.200000
Total energy: -30.977327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.977327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.977327 (E_RNA)
where:
Base-Base interactions energy: -6.756
where: short stacking energy: -6.616
Base-Backbone interact. energy: 0.538
local terms energy: -24.758753
where:
bonds (distance) C4'-P energy: -4.374
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -10.601
flat angles P-C4'-P energy: -5.947
tors. eta vs tors. theta energy: 15.388
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: 8, replica: 10
=====================================
Write number: 257
Temperature: 3.583333
Total energy: -16.471350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.471350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.471350 (E_RNA)
where:
Base-Base interactions energy: -0.060
where: short stacking energy: -4.860
Base-Backbone interact. energy: 4.036
local terms energy: -20.447425
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -2.938
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: 20.269
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: 3
=====================================
Write number: 257
Temperature: 3.966667
Total energy: -2.654198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.654198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.654198 (E_RNA)
where:
Base-Base interactions energy: -4.018
where: short stacking energy: -2.912
Base-Backbone interact. energy: 6.538
local terms energy: -5.174334
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -8.301
flat angles C4'-P-C4' energy: -3.388
flat angles P-C4'-P energy: 0.789
tors. eta vs tors. theta energy: 15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 257
Temperature: 4.350000
Total energy: -4.526124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.526124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.526124 (E_RNA)
where:
Base-Base interactions energy: -9.821
where: short stacking energy: -9.037
Base-Backbone interact. energy: -0.962
local terms energy: 6.256082
where:
bonds (distance) C4'-P energy: -10.444
bonds (distance) P-C4' energy: -7.387
flat angles C4'-P-C4' energy: -1.730
flat angles P-C4'-P energy: 10.855
tors. eta vs tors. theta energy: 14.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -382.364522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.364522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.364522 (E_RNA)
where:
Base-Base interactions energy: -253.214
where: short stacking energy: -115.582
Base-Backbone interact. energy: -0.081
local terms energy: -129.069171
where:
bonds (distance) C4'-P energy: -23.391
bonds (distance) P-C4' energy: -25.012
flat angles C4'-P-C4' energy: -28.267
flat angles P-C4'-P energy: -18.643
tors. eta vs tors. theta energy: -33.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 258
Temperature: 1.283333
Total energy: -199.464576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.464576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.464576 (E_RNA)
where:
Base-Base interactions energy: -109.483
where: short stacking energy: -66.614
Base-Backbone interact. energy: -0.106
local terms energy: -89.875661
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -25.315
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -7.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 258
Temperature: 1.666667
Total energy: -87.094847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.094847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.094847 (E_RNA)
where:
Base-Base interactions energy: -31.096
where: short stacking energy: -21.791
Base-Backbone interact. energy: -1.763
local terms energy: -54.235262
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: 8.766
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: 4
=====================================
Write number: 258
Temperature: 2.050000
Total energy: -62.839352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.839352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.839352 (E_RNA)
where:
Base-Base interactions energy: -17.173
where: short stacking energy: -9.446
Base-Backbone interact. energy: 0.293
local terms energy: -45.959019
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -5.926
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: 1.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 258
Temperature: 2.433333
Total energy: -50.819724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.819724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.819724 (E_RNA)
where:
Base-Base interactions energy: -15.509
where: short stacking energy: -15.099
Base-Backbone interact. energy: -0.180
local terms energy: -35.130598
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -9.661
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: 13.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 258
Temperature: 2.816667
Total energy: -39.240052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.240052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.240052 (E_RNA)
where:
Base-Base interactions energy: -15.344
where: short stacking energy: -9.238
Base-Backbone interact. energy: 3.042
local terms energy: -26.938082
where:
bonds (distance) C4'-P energy: -7.998
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: 22.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 258
Temperature: 3.200000
Total energy: -26.864424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.864424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.864424 (E_RNA)
where:
Base-Base interactions energy: -5.552
where: short stacking energy: -3.362
Base-Backbone interact. energy: -0.502
local terms energy: -20.810202
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: 1.463
flat angles P-C4'-P energy: -1.098
tors. eta vs tors. theta energy: 12.103
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: 258
Temperature: 3.583333
Total energy: -14.466903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.466903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.466903 (E_RNA)
where:
Base-Base interactions energy: -1.890
where: short stacking energy: -1.436
Base-Backbone interact. energy: -0.259
local terms energy: -12.318142
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -6.891
flat angles P-C4'-P energy: 8.161
tors. eta vs tors. theta energy: 15.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 258
Temperature: 3.966667
Total energy: -10.474937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.474937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.474937 (E_RNA)
where:
Base-Base interactions energy: -4.317
where: short stacking energy: -5.217
Base-Backbone interact. energy: 0.316
local terms energy: -6.473874
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -3.293
flat angles P-C4'-P energy: 3.712
tors. eta vs tors. theta energy: 19.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 258
Temperature: 4.350000
Total energy: -6.591496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.591496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.591496 (E_RNA)
where:
Base-Base interactions energy: -6.926
where: short stacking energy: -6.926
Base-Backbone interact. energy: -0.187
local terms energy: 0.521513
where:
bonds (distance) C4'-P energy: -10.449
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: 7.552
flat angles P-C4'-P energy: -1.189
tors. eta vs tors. theta energy: 19.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -371.531366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.531366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.531366 (E_RNA)
where:
Base-Base interactions energy: -243.812
where: short stacking energy: -118.889
Base-Backbone interact. energy: -0.010
local terms energy: -127.709406
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -22.493
flat angles C4'-P-C4' energy: -25.751
flat angles P-C4'-P energy: -19.394
tors. eta vs tors. theta energy: -37.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 259
Temperature: 1.283333
Total energy: -202.602492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.602492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.602492 (E_RNA)
where:
Base-Base interactions energy: -120.260
where: short stacking energy: -61.358
Base-Backbone interact. energy: -0.106
local terms energy: -82.235551
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -22.893
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -10.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 259
Temperature: 1.666667
Total energy: -88.492047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.492047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.492047 (E_RNA)
where:
Base-Base interactions energy: -34.385
where: short stacking energy: -28.500
Base-Backbone interact. energy: -0.377
local terms energy: -53.729940
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: 3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 259
Temperature: 2.050000
Total energy: -63.409334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.409334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.409334 (E_RNA)
where:
Base-Base interactions energy: -18.061
where: short stacking energy: -17.043
Base-Backbone interact. energy: 3.762
local terms energy: -49.109476
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -9.797
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: 11.819
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: 5
=====================================
Write number: 259
Temperature: 2.433333
Total energy: -41.128958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.128958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.128958 (E_RNA)
where:
Base-Base interactions energy: -7.953
where: short stacking energy: -7.716
Base-Backbone interact. energy: -0.486
local terms energy: -32.690317
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: 15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 2.816667
Total energy: -30.396201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.396201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.396201 (E_RNA)
where:
Base-Base interactions energy: -7.570
where: short stacking energy: -5.342
Base-Backbone interact. energy: 0.458
local terms energy: -23.283643
where:
bonds (distance) C4'-P energy: -5.423
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: 14.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 259
Temperature: 3.200000
Total energy: -21.878710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.878710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.878710 (E_RNA)
where:
Base-Base interactions energy: 6.120
where: short stacking energy: 5.085
Base-Backbone interact. energy: 0.148
local terms energy: -28.146577
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -5.112
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: 14.517
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: 7
=====================================
Write number: 259
Temperature: 3.583333
Total energy: -17.780197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.780197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.780197 (E_RNA)
where:
Base-Base interactions energy: -4.736
where: short stacking energy: -3.319
Base-Backbone interact. energy: 1.527
local terms energy: -14.570542
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -5.583
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: 1.090
tors. eta vs tors. theta energy: 14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 259
Temperature: 3.966667
Total energy: -14.226326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.226326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.226326 (E_RNA)
where:
Base-Base interactions energy: -8.140
where: short stacking energy: -3.524
Base-Backbone interact. energy: 0.588
local terms energy: -6.674170
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: 0.170
flat angles P-C4'-P energy: -0.124
tors. eta vs tors. theta energy: 13.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 259
Temperature: 4.350000
Total energy: 3.800081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 3.800081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 3.800081 (E_RNA)
where:
Base-Base interactions energy: -8.455
where: short stacking energy: -4.989
Base-Backbone interact. energy: 14.289
local terms energy: -2.033873
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: 8.317
flat angles P-C4'-P energy: 6.489
tors. eta vs tors. theta energy: 13.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -390.392787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.392787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.392787 (E_RNA)
where:
Base-Base interactions energy: -259.689
where: short stacking energy: -123.142
Base-Backbone interact. energy: -0.191
local terms energy: -130.512678
where:
bonds (distance) C4'-P energy: -26.796
bonds (distance) P-C4' energy: -22.907
flat angles C4'-P-C4' energy: -25.775
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -38.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 260
Temperature: 1.283333
Total energy: -203.728628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.728628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.728628 (E_RNA)
where:
Base-Base interactions energy: -125.380
where: short stacking energy: -60.105
Base-Backbone interact. energy: 0.551
local terms energy: -78.899418
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -23.568
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -8.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 260
Temperature: 1.666667
Total energy: -83.293036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.293036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.293036 (E_RNA)
where:
Base-Base interactions energy: -21.585
where: short stacking energy: -21.028
Base-Backbone interact. energy: -0.638
local terms energy: -61.070119
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -28.358
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: 7.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 260
Temperature: 2.050000
Total energy: -85.382640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.382640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.382640 (E_RNA)
where:
Base-Base interactions energy: -31.682
where: short stacking energy: -28.824
Base-Backbone interact. energy: -0.483
local terms energy: -53.217718
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -19.268
flat angles C4'-P-C4' energy: -6.978
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: 6.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 260
Temperature: 2.433333
Total energy: -45.449963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.449963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.449963 (E_RNA)
where:
Base-Base interactions energy: -11.470
where: short stacking energy: -9.009
Base-Backbone interact. energy: 0.283
local terms energy: -34.262855
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: 0.794
tors. eta vs tors. theta energy: 8.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 260
Temperature: 2.816667
Total energy: -43.728726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.728726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.728726 (E_RNA)
where:
Base-Base interactions energy: -9.418
where: short stacking energy: -5.743
Base-Backbone interact. energy: -0.079
local terms energy: -34.231456
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -8.501
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: 3.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 260
Temperature: 3.200000
Total energy: -20.165821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.165821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.165821 (E_RNA)
where:
Base-Base interactions energy: -5.688
where: short stacking energy: -2.045
Base-Backbone interact. energy: 4.104
local terms energy: -18.582220
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -21.478
flat angles C4'-P-C4' energy: 1.221
flat angles P-C4'-P energy: 4.245
tors. eta vs tors. theta energy: 10.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 260
Temperature: 3.583333
Total energy: -21.460805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.460805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.460805 (E_RNA)
where:
Base-Base interactions energy: -2.564
where: short stacking energy: -1.754
Base-Backbone interact. energy: -0.758
local terms energy: -18.139345
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -6.881
flat angles C4'-P-C4' energy: -5.486
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: 17.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 260
Temperature: 3.966667
Total energy: -10.807315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.807315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.807315 (E_RNA)
where:
Base-Base interactions energy: -0.864
where: short stacking energy: 0.255
Base-Backbone interact. energy: 0.402
local terms energy: -10.345204
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -9.720
flat angles C4'-P-C4' energy: 2.126
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: 13.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 260
Temperature: 4.350000
Total energy: -1.320191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.320191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.320191 (E_RNA)
where:
Base-Base interactions energy: -0.661
where: short stacking energy: 0.000
Base-Backbone interact. energy: -1.376
local terms energy: 0.716933
where:
bonds (distance) C4'-P energy: -24.683
bonds (distance) P-C4' energy: -3.457
flat angles C4'-P-C4' energy: 0.673
flat angles P-C4'-P energy: 10.923
tors. eta vs tors. theta energy: 17.261
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: 1
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -389.526320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.526320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.526320 (E_RNA)
where:
Base-Base interactions energy: -252.099
where: short stacking energy: -127.855
Base-Backbone interact. energy: -2.463
local terms energy: -134.964786
where:
bonds (distance) C4'-P energy: -23.908
bonds (distance) P-C4' energy: -27.938
flat angles C4'-P-C4' energy: -26.184
flat angles P-C4'-P energy: -17.062
tors. eta vs tors. theta energy: -39.874
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: 2
=====================================
Write number: 261
Temperature: 1.283333
Total energy: -202.291892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.291892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.291892 (E_RNA)
where:
Base-Base interactions energy: -117.098
where: short stacking energy: -62.627
Base-Backbone interact. energy: -0.229
local terms energy: -84.964318
where:
bonds (distance) C4'-P energy: -23.403
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -13.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 261
Temperature: 1.666667
Total energy: -81.182246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.182246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.182246 (E_RNA)
where:
Base-Base interactions energy: -28.257
where: short stacking energy: -27.332
Base-Backbone interact. energy: 1.494
local terms energy: -54.419868
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -10.211
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 261
Temperature: 2.050000
Total energy: -62.582163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.582163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.582163 (E_RNA)
where:
Base-Base interactions energy: -19.843
where: short stacking energy: -12.599
Base-Backbone interact. energy: 0.251
local terms energy: -42.989745
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: 9.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 261
Temperature: 2.433333
Total energy: -57.133038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.133038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.133038 (E_RNA)
where:
Base-Base interactions energy: -10.766
where: short stacking energy: -9.636
Base-Backbone interact. energy: 0.799
local terms energy: -47.165699
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: 8.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 261
Temperature: 2.816667
Total energy: -32.943297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.943297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.943297 (E_RNA)
where:
Base-Base interactions energy: -1.676
where: short stacking energy: -2.076
Base-Backbone interact. energy: 1.419
local terms energy: -32.686434
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -1.456
tors. eta vs tors. theta energy: 9.152
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: 9
=====================================
Write number: 261
Temperature: 3.200000
Total energy: -23.118179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.118179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.118179 (E_RNA)
where:
Base-Base interactions energy: -6.398
where: short stacking energy: -5.969
Base-Backbone interact. energy: 0.254
local terms energy: -16.974991
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -3.861
flat angles P-C4'-P energy: 3.562
tors. eta vs tors. theta energy: 4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 261
Temperature: 3.583333
Total energy: -17.743458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.743458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.743458 (E_RNA)
where:
Base-Base interactions energy: -14.316
where: short stacking energy: -3.722
Base-Backbone interact. energy: -0.137
local terms energy: -3.290380
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -1.900
flat angles P-C4'-P energy: 11.647
tors. eta vs tors. theta energy: 15.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 261
Temperature: 3.966667
Total energy: -21.962885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.962885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.962885 (E_RNA)
where:
Base-Base interactions energy: -3.517
where: short stacking energy: -2.929
Base-Backbone interact. energy: -0.646
local terms energy: -17.799593
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -4.108
flat angles P-C4'-P energy: 0.218
tors. eta vs tors. theta energy: 16.386
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: 3
=====================================
Write number: 261
Temperature: 4.350000
Total energy: -5.291870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.291870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.291870 (E_RNA)
where:
Base-Base interactions energy: -2.263
where: short stacking energy: 1.185
Base-Backbone interact. energy: 0.627
local terms energy: -3.656029
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -3.312
flat angles P-C4'-P energy: 5.499
tors. eta vs tors. theta energy: 18.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -391.988717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.988717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.988717 (E_RNA)
where:
Base-Base interactions energy: -267.236
where: short stacking energy: -119.975
Base-Backbone interact. energy: -1.933
local terms energy: -122.820461
where:
bonds (distance) C4'-P energy: -29.955
bonds (distance) P-C4' energy: -22.424
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -34.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 262
Temperature: 1.283333
Total energy: -228.821133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.821133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.821133 (E_RNA)
where:
Base-Base interactions energy: -148.727
where: short stacking energy: -66.753
Base-Backbone interact. energy: -0.312
local terms energy: -79.782220
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -23.832
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -8.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 262
Temperature: 1.666667
Total energy: -85.693902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.693902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.693902 (E_RNA)
where:
Base-Base interactions energy: -34.417
where: short stacking energy: -30.515
Base-Backbone interact. energy: 2.015
local terms energy: -53.291806
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: 6.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 262
Temperature: 2.050000
Total energy: -59.496132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.496132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.496132 (E_RNA)
where:
Base-Base interactions energy: -13.471
where: short stacking energy: -11.839
Base-Backbone interact. energy: -1.273
local terms energy: -44.752804
where:
bonds (distance) C4'-P energy: -22.947
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: 1.719
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: 3.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 262
Temperature: 2.433333
Total energy: -46.244131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.244131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.244131 (E_RNA)
where:
Base-Base interactions energy: -14.873
where: short stacking energy: -14.903
Base-Backbone interact. energy: -0.361
local terms energy: -31.010600
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -16.260
flat angles C4'-P-C4' energy: -9.747
flat angles P-C4'-P energy: 0.165
tors. eta vs tors. theta energy: 4.522
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: 8
=====================================
Write number: 262
Temperature: 2.816667
Total energy: -35.020301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.020301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.020301 (E_RNA)
where:
Base-Base interactions energy: -0.875
where: short stacking energy: 0.012
Base-Backbone interact. energy: 1.236
local terms energy: -35.381465
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -8.638
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: 14.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 262
Temperature: 3.200000
Total energy: -30.670161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.670161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.670161 (E_RNA)
where:
Base-Base interactions energy: -10.598
where: short stacking energy: -9.798
Base-Backbone interact. energy: 2.223
local terms energy: -22.295824
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -5.550
flat angles C4'-P-C4' energy: -7.947
flat angles P-C4'-P energy: -3.192
tors. eta vs tors. theta energy: 13.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 262
Temperature: 3.583333
Total energy: -19.477284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.477284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.477284 (E_RNA)
where:
Base-Base interactions energy: -3.219
where: short stacking energy: -3.219
Base-Backbone interact. energy: -0.207
local terms energy: -16.051038
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -5.282
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -3.392
tors. eta vs tors. theta energy: 17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 262
Temperature: 3.966667
Total energy: -10.283678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.283678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.283678 (E_RNA)
where:
Base-Base interactions energy: -4.959
where: short stacking energy: -1.516
Base-Backbone interact. energy: -0.409
local terms energy: -4.916078
where:
bonds (distance) C4'-P energy: -3.907
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -0.983
flat angles P-C4'-P energy: -2.938
tors. eta vs tors. theta energy: 20.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 262
Temperature: 4.350000
Total energy: -5.254532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.254532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.254532 (E_RNA)
where:
Base-Base interactions energy: -0.775
where: short stacking energy: -1.920
Base-Backbone interact. energy: 1.190
local terms energy: -5.669679
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -8.635
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: 9.820
tors. eta vs tors. theta energy: 17.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -390.557562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.557562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.557562 (E_RNA)
where:
Base-Base interactions energy: -263.582
where: short stacking energy: -116.698
Base-Backbone interact. energy: -1.934
local terms energy: -125.041756
where:
bonds (distance) C4'-P energy: -29.583
bonds (distance) P-C4' energy: -24.500
flat angles C4'-P-C4' energy: -23.293
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -35.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 263
Temperature: 1.283333
Total energy: -241.022312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.022312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.022312 (E_RNA)
where:
Base-Base interactions energy: -152.004
where: short stacking energy: -73.507
Base-Backbone interact. energy: 1.296
local terms energy: -90.314565
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -24.882
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -12.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 263
Temperature: 1.666667
Total energy: -83.567087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.567087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.567087 (E_RNA)
where:
Base-Base interactions energy: -21.728
where: short stacking energy: -19.975
Base-Backbone interact. energy: -0.464
local terms energy: -61.375013
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -26.098
flat angles C4'-P-C4' energy: -23.402
flat angles P-C4'-P energy: -2.897
tors. eta vs tors. theta energy: 6.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 263
Temperature: 2.050000
Total energy: -61.425883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.425883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.425883 (E_RNA)
where:
Base-Base interactions energy: -3.875
where: short stacking energy: -4.206
Base-Backbone interact. energy: -0.312
local terms energy: -57.238224
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -23.122
flat angles C4'-P-C4' energy: -8.767
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: 7.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 263
Temperature: 2.433333
Total energy: -54.083831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.083831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.083831 (E_RNA)
where:
Base-Base interactions energy: -7.831
where: short stacking energy: -7.831
Base-Backbone interact. energy: 1.461
local terms energy: -47.714024
where:
bonds (distance) C4'-P energy: -23.758
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -9.475
flat angles P-C4'-P energy: -3.762
tors. eta vs tors. theta energy: 7.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 263
Temperature: 2.816667
Total energy: -36.684738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.684738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.684738 (E_RNA)
where:
Base-Base interactions energy: -5.904
where: short stacking energy: -0.634
Base-Backbone interact. energy: 0.733
local terms energy: -31.513955
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -8.541
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: 15.577
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: 7
=====================================
Write number: 263
Temperature: 3.200000
Total energy: -24.740658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.740658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.740658 (E_RNA)
where:
Base-Base interactions energy: -6.506
where: short stacking energy: -3.655
Base-Backbone interact. energy: 0.094
local terms energy: -18.327931
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -4.056
flat angles P-C4'-P energy: 4.161
tors. eta vs tors. theta energy: 12.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 263
Temperature: 3.583333
Total energy: -13.536177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.536177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.536177 (E_RNA)
where:
Base-Base interactions energy: -6.272
where: short stacking energy: -5.924
Base-Backbone interact. energy: 1.794
local terms energy: -9.058093
where:
bonds (distance) C4'-P energy: -5.107
bonds (distance) P-C4' energy: -8.874
flat angles C4'-P-C4' energy: -7.671
flat angles P-C4'-P energy: -0.936
tors. eta vs tors. theta energy: 13.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 263
Temperature: 3.966667
Total energy: -12.117476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.117476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.117476 (E_RNA)
where:
Base-Base interactions energy: -5.623
where: short stacking energy: -4.394
Base-Backbone interact. energy: 2.770
local terms energy: -9.265000
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -8.776
flat angles C4'-P-C4' energy: 1.803
flat angles P-C4'-P energy: -3.867
tors. eta vs tors. theta energy: 14.082
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: 10
=====================================
Write number: 263
Temperature: 4.350000
Total energy: 5.250602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 5.250602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 5.250602 (E_RNA)
where:
Base-Base interactions energy: -12.591
where: short stacking energy: -6.963
Base-Backbone interact. energy: 6.730
local terms energy: 11.110804
where:
bonds (distance) C4'-P energy: -1.540
bonds (distance) P-C4' energy: -7.562
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: 13.313
tors. eta vs tors. theta energy: 20.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -388.316727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.316727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.316727 (E_RNA)
where:
Base-Base interactions energy: -266.886
where: short stacking energy: -116.432
Base-Backbone interact. energy: -0.805
local terms energy: -120.626194
where:
bonds (distance) C4'-P energy: -25.717
bonds (distance) P-C4' energy: -23.889
flat angles C4'-P-C4' energy: -26.026
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -32.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 264
Temperature: 1.283333
Total energy: -240.568812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.568812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.568812 (E_RNA)
where:
Base-Base interactions energy: -159.968
where: short stacking energy: -69.531
Base-Backbone interact. energy: -0.477
local terms energy: -80.122973
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -25.245
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -8.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 264
Temperature: 1.666667
Total energy: -88.393159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.393159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.393159 (E_RNA)
where:
Base-Base interactions energy: -17.844
where: short stacking energy: -17.844
Base-Backbone interact. energy: 3.344
local terms energy: -73.893398
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: 1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 264
Temperature: 2.050000
Total energy: -59.031928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.031928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.031928 (E_RNA)
where:
Base-Base interactions energy: -11.769
where: short stacking energy: -2.860
Base-Backbone interact. energy: 2.302
local terms energy: -49.565400
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: 6.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 264
Temperature: 2.433333
Total energy: -42.313949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.313949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.313949 (E_RNA)
where:
Base-Base interactions energy: -10.375
where: short stacking energy: -4.919
Base-Backbone interact. energy: -0.219
local terms energy: -31.719245
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: 2.117
tors. eta vs tors. theta energy: 11.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 264
Temperature: 2.816667
Total energy: -32.810323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.810323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.810323 (E_RNA)
where:
Base-Base interactions energy: -9.744
where: short stacking energy: -10.144
Base-Backbone interact. energy: 5.298
local terms energy: -28.364717
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -2.055
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: 11.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 264
Temperature: 3.200000
Total energy: -21.771231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.771231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.771231 (E_RNA)
where:
Base-Base interactions energy: -6.217
where: short stacking energy: -4.334
Base-Backbone interact. energy: 0.585
local terms energy: -16.138453
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -0.774
tors. eta vs tors. theta energy: 19.091
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: 3
=====================================
Write number: 264
Temperature: 3.583333
Total energy: -21.449340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.449340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.449340 (E_RNA)
where:
Base-Base interactions energy: -6.835
where: short stacking energy: -5.942
Base-Backbone interact. energy: -0.190
local terms energy: -14.425102
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -21.001
flat angles C4'-P-C4' energy: -1.060
flat angles P-C4'-P energy: 6.783
tors. eta vs tors. theta energy: 12.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 264
Temperature: 3.966667
Total energy: -10.963562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.963562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.963562 (E_RNA)
where:
Base-Base interactions energy: -2.813
where: short stacking energy: 0.096
Base-Backbone interact. energy: -0.072
local terms energy: -8.078692
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -7.130
flat angles C4'-P-C4' energy: -4.900
flat angles P-C4'-P energy: -0.351
tors. eta vs tors. theta energy: 18.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 264
Temperature: 4.350000
Total energy: -0.274462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.274462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.274462 (E_RNA)
where:
Base-Base interactions energy: 3.107
where: short stacking energy: 0.849
Base-Backbone interact. energy: 0.793
local terms energy: -4.175000
where:
bonds (distance) C4'-P energy: -5.003
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: 0.390
flat angles P-C4'-P energy: -1.544
tors. eta vs tors. theta energy: 16.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -386.896644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.896644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.896644 (E_RNA)
where:
Base-Base interactions energy: -255.886
where: short stacking energy: -114.824
Base-Backbone interact. energy: -1.045
local terms energy: -129.965614
where:
bonds (distance) C4'-P energy: -24.475
bonds (distance) P-C4' energy: -24.949
flat angles C4'-P-C4' energy: -27.248
flat angles P-C4'-P energy: -19.965
tors. eta vs tors. theta energy: -33.328
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: 2
=====================================
Write number: 265
Temperature: 1.283333
Total energy: -213.286966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.286966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.286966 (E_RNA)
where:
Base-Base interactions energy: -133.751
where: short stacking energy: -60.345
Base-Backbone interact. energy: 1.194
local terms energy: -80.730270
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -10.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 265
Temperature: 1.666667
Total energy: -89.524308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.524308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.524308 (E_RNA)
where:
Base-Base interactions energy: -37.629
where: short stacking energy: -23.588
Base-Backbone interact. energy: 3.079
local terms energy: -54.974085
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: 8.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 265
Temperature: 2.050000
Total energy: -87.530641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.530641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.530641 (E_RNA)
where:
Base-Base interactions energy: -32.055
where: short stacking energy: -30.306
Base-Backbone interact. energy: 0.252
local terms energy: -55.727992
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -19.609
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -4.416
tors. eta vs tors. theta energy: 4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 265
Temperature: 2.433333
Total energy: -47.985362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.985362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.985362 (E_RNA)
where:
Base-Base interactions energy: -8.007
where: short stacking energy: -8.161
Base-Backbone interact. energy: -0.545
local terms energy: -39.433116
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: 1.929
tors. eta vs tors. theta energy: 11.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 265
Temperature: 2.816667
Total energy: -36.388797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.388797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.388797 (E_RNA)
where:
Base-Base interactions energy: -16.011
where: short stacking energy: -13.070
Base-Backbone interact. energy: 1.417
local terms energy: -21.795177
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -5.849
flat angles P-C4'-P energy: 0.819
tors. eta vs tors. theta energy: 12.041
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: 8
=====================================
Write number: 265
Temperature: 3.200000
Total energy: -29.686003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.686003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.686003 (E_RNA)
where:
Base-Base interactions energy: -9.584
where: short stacking energy: -9.712
Base-Backbone interact. energy: 4.204
local terms energy: -24.305412
where:
bonds (distance) C4'-P energy: -21.435
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -8.254
flat angles P-C4'-P energy: -2.949
tors. eta vs tors. theta energy: 15.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 265
Temperature: 3.583333
Total energy: -17.234862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.234862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.234862 (E_RNA)
where:
Base-Base interactions energy: -8.649
where: short stacking energy: -4.772
Base-Backbone interact. energy: -0.160
local terms energy: -8.425085
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: 0.923
flat angles C4'-P-C4' energy: -9.235
flat angles P-C4'-P energy: -3.193
tors. eta vs tors. theta energy: 14.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 265
Temperature: 3.966667
Total energy: -22.447797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.447797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.447797 (E_RNA)
where:
Base-Base interactions energy: -10.478
where: short stacking energy: -9.850
Base-Backbone interact. energy: 1.085
local terms energy: -13.055016
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -6.532
flat angles P-C4'-P energy: 2.583
tors. eta vs tors. theta energy: 16.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 265
Temperature: 4.350000
Total energy: -2.962516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.962516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.962516 (E_RNA)
where:
Base-Base interactions energy: -9.633
where: short stacking energy: -6.401
Base-Backbone interact. energy: 2.666
local terms energy: 4.004626
where:
bonds (distance) C4'-P energy: -8.811
bonds (distance) P-C4' energy: -0.522
flat angles C4'-P-C4' energy: -4.706
flat angles P-C4'-P energy: 3.893
tors. eta vs tors. theta energy: 14.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -389.367593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.367593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.367593 (E_RNA)
where:
Base-Base interactions energy: -267.308
where: short stacking energy: -124.127
Base-Backbone interact. energy: -0.044
local terms energy: -122.015691
where:
bonds (distance) C4'-P energy: -26.007
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -21.854
flat angles P-C4'-P energy: -17.636
tors. eta vs tors. theta energy: -34.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 266
Temperature: 1.283333
Total energy: -195.435758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.435758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.435758 (E_RNA)
where:
Base-Base interactions energy: -108.662
where: short stacking energy: -49.599
Base-Backbone interact. energy: 0.721
local terms energy: -87.494536
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -26.911
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -6.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 266
Temperature: 1.666667
Total energy: -99.662912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.662912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.662912 (E_RNA)
where:
Base-Base interactions energy: -28.344
where: short stacking energy: -27.953
Base-Backbone interact. energy: 0.397
local terms energy: -71.716387
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -2.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 2.050000
Total energy: -73.749317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.749317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.749317 (E_RNA)
where:
Base-Base interactions energy: -26.235
where: short stacking energy: -24.766
Base-Backbone interact. energy: -0.262
local terms energy: -47.251913
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -9.821
flat angles C4'-P-C4' energy: -20.160
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: 6.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 266
Temperature: 2.433333
Total energy: -49.402629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.402629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.402629 (E_RNA)
where:
Base-Base interactions energy: -16.336
where: short stacking energy: -13.499
Base-Backbone interact. energy: -0.322
local terms energy: -32.744798
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -9.778
flat angles P-C4'-P energy: 0.450
tors. eta vs tors. theta energy: 9.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 266
Temperature: 2.816667
Total energy: -32.518480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.518480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.518480 (E_RNA)
where:
Base-Base interactions energy: -7.066
where: short stacking energy: -7.066
Base-Backbone interact. energy: 1.882
local terms energy: -27.334274
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: 0.211
tors. eta vs tors. theta energy: 10.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 266
Temperature: 3.200000
Total energy: -25.379640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.379640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.379640 (E_RNA)
where:
Base-Base interactions energy: -10.197
where: short stacking energy: -11.461
Base-Backbone interact. energy: -0.297
local terms energy: -14.885614
where:
bonds (distance) C4'-P energy: -4.451
bonds (distance) P-C4' energy: -21.864
flat angles C4'-P-C4' energy: 5.357
flat angles P-C4'-P energy: -1.402
tors. eta vs tors. theta energy: 7.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 266
Temperature: 3.583333
Total energy: -18.118986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.118986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.118986 (E_RNA)
where:
Base-Base interactions energy: -7.786
where: short stacking energy: -7.046
Base-Backbone interact. energy: 1.632
local terms energy: -11.965741
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -8.630
flat angles P-C4'-P energy: 7.986
tors. eta vs tors. theta energy: 13.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 266
Temperature: 3.966667
Total energy: -2.346700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.346700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.346700 (E_RNA)
where:
Base-Base interactions energy: -0.702
where: short stacking energy: -0.702
Base-Backbone interact. energy: 1.901
local terms energy: -3.545416
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: 3.335
flat angles P-C4'-P energy: -4.061
tors. eta vs tors. theta energy: 18.962
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: 10, replica: 10
=====================================
Write number: 266
Temperature: 4.350000
Total energy: 3.685585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 3.685585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 3.685585 (E_RNA)
where:
Base-Base interactions energy: -11.567
where: short stacking energy: -3.921
Base-Backbone interact. energy: 4.133
local terms energy: 11.120210
where:
bonds (distance) C4'-P energy: -6.397
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: 9.824
flat angles P-C4'-P energy: 6.064
tors. eta vs tors. theta energy: 20.490
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: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -389.732867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.732867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.732867 (E_RNA)
where:
Base-Base interactions energy: -260.429
where: short stacking energy: -115.168
Base-Backbone interact. energy: -0.213
local terms energy: -129.089969
where:
bonds (distance) C4'-P energy: -23.447
bonds (distance) P-C4' energy: -23.291
flat angles C4'-P-C4' energy: -25.874
flat angles P-C4'-P energy: -22.376
tors. eta vs tors. theta energy: -34.101
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: 2
=====================================
Write number: 267
Temperature: 1.283333
Total energy: -183.863141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.863141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.863141 (E_RNA)
where:
Base-Base interactions energy: -107.476
where: short stacking energy: -66.742
Base-Backbone interact. energy: -0.450
local terms energy: -75.937091
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -5.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.666667
Total energy: -86.499849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.499849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.499849 (E_RNA)
where:
Base-Base interactions energy: -30.831
where: short stacking energy: -26.555
Base-Backbone interact. energy: 0.455
local terms energy: -56.124255
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: 1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 267
Temperature: 2.050000
Total energy: -59.939865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.939865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.939865 (E_RNA)
where:
Base-Base interactions energy: -14.994
where: short stacking energy: -13.228
Base-Backbone interact. energy: 0.307
local terms energy: -45.252995
where:
bonds (distance) C4'-P energy: -9.508
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -4.646
tors. eta vs tors. theta energy: 7.391
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: 5
=====================================
Write number: 267
Temperature: 2.433333
Total energy: -41.180133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.180133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.180133 (E_RNA)
where:
Base-Base interactions energy: -14.884
where: short stacking energy: -13.996
Base-Backbone interact. energy: -0.608
local terms energy: -25.687839
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -4.300
flat angles P-C4'-P energy: -3.038
tors. eta vs tors. theta energy: 13.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 267
Temperature: 2.816667
Total energy: -43.686926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.686926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.686926 (E_RNA)
where:
Base-Base interactions energy: -11.147
where: short stacking energy: -10.130
Base-Backbone interact. energy: 1.718
local terms energy: -34.257932
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -1.091
tors. eta vs tors. theta energy: 10.540
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: 7, replica: 7
=====================================
Write number: 267
Temperature: 3.200000
Total energy: -24.922413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.922413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.922413 (E_RNA)
where:
Base-Base interactions energy: -7.523
where: short stacking energy: -4.461
Base-Backbone interact. energy: -0.466
local terms energy: -16.933326
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -7.744
flat angles P-C4'-P energy: 2.399
tors. eta vs tors. theta energy: 15.875
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: 267
Temperature: 3.583333
Total energy: -22.256377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.256377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.256377 (E_RNA)
where:
Base-Base interactions energy: -7.931
where: short stacking energy: -7.931
Base-Backbone interact. energy: 4.113
local terms energy: -18.437478
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: 4.872
tors. eta vs tors. theta energy: 18.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 3.966667
Total energy: -7.914505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.914505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.914505 (E_RNA)
where:
Base-Base interactions energy: -3.869
where: short stacking energy: -1.628
Base-Backbone interact. energy: 1.179
local terms energy: -5.224785
where:
bonds (distance) C4'-P energy: 1.220
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -5.486
flat angles P-C4'-P energy: -2.462
tors. eta vs tors. theta energy: 14.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 4.350000
Total energy: -6.359143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.359143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.359143 (E_RNA)
where:
Base-Base interactions energy: -4.089
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.441
local terms energy: -1.829411
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -5.237
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: 4.535
tors. eta vs tors. theta energy: 17.976
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: 268
Temperature: 0.900000
Total energy: -382.639989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.639989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.639989 (E_RNA)
where:
Base-Base interactions energy: -265.110
where: short stacking energy: -111.513
Base-Backbone interact. energy: -0.705
local terms energy: -116.825582
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -23.783
flat angles C4'-P-C4' energy: -27.026
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -31.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 268
Temperature: 1.283333
Total energy: -191.000964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.000964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.000964 (E_RNA)
where:
Base-Base interactions energy: -106.680
where: short stacking energy: -60.827
Base-Backbone interact. energy: -0.992
local terms energy: -83.329508
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -21.525
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 268
Temperature: 1.666667
Total energy: -87.143373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.143373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.143373 (E_RNA)
where:
Base-Base interactions energy: -32.859
where: short stacking energy: -28.516
Base-Backbone interact. energy: 1.430
local terms energy: -55.713970
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: 5.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 268
Temperature: 2.050000
Total energy: -64.741599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.741599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.741599 (E_RNA)
where:
Base-Base interactions energy: -24.439
where: short stacking energy: -22.081
Base-Backbone interact. energy: -0.850
local terms energy: -39.452737
where:
bonds (distance) C4'-P energy: -8.011
bonds (distance) P-C4' energy: -25.007
flat angles C4'-P-C4' energy: -5.492
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: 4.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 268
Temperature: 2.433333
Total energy: -49.199658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.199658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.199658 (E_RNA)
where:
Base-Base interactions energy: -8.232
where: short stacking energy: -4.811
Base-Backbone interact. energy: -0.406
local terms energy: -40.561112
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: 10.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 268
Temperature: 2.816667
Total energy: -29.193622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.193622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.193622 (E_RNA)
where:
Base-Base interactions energy: -6.227
where: short stacking energy: -4.408
Base-Backbone interact. energy: 0.766
local terms energy: -23.732921
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -1.656
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: 12.627
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: 7
=====================================
Write number: 268
Temperature: 3.200000
Total energy: -23.794611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.794611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.794611 (E_RNA)
where:
Base-Base interactions energy: -10.013
where: short stacking energy: -13.113
Base-Backbone interact. energy: -0.445
local terms energy: -13.336027
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: 1.049
flat angles P-C4'-P energy: 10.940
tors. eta vs tors. theta energy: 8.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 268
Temperature: 3.583333
Total energy: -13.205657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.205657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.205657 (E_RNA)
where:
Base-Base interactions energy: -6.511
where: short stacking energy: -3.897
Base-Backbone interact. energy: -0.277
local terms energy: -6.417346
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: 3.110
flat angles P-C4'-P energy: -1.218
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: 9, replica: 10
=====================================
Write number: 268
Temperature: 3.966667
Total energy: -17.446688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.446688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.446688 (E_RNA)
where:
Base-Base interactions energy: -8.623
where: short stacking energy: -10.436
Base-Backbone interact. energy: 4.372
local terms energy: -13.195921
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: 0.413
flat angles P-C4'-P energy: -3.214
tors. eta vs tors. theta energy: 19.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 268
Temperature: 4.350000
Total energy: -1.169238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.169238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.169238 (E_RNA)
where:
Base-Base interactions energy: -9.910
where: short stacking energy: -4.507
Base-Backbone interact. energy: -0.292
local terms energy: 9.032336
where:
bonds (distance) C4'-P energy: -2.789
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: 5.243
flat angles P-C4'-P energy: 4.404
tors. eta vs tors. theta energy: 14.497
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: 269
Temperature: 0.900000
Total energy: -387.779951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.779951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.779951 (E_RNA)
where:
Base-Base interactions energy: -259.111
where: short stacking energy: -120.778
Base-Backbone interact. energy: -0.272
local terms energy: -128.396814
where:
bonds (distance) C4'-P energy: -23.565
bonds (distance) P-C4' energy: -27.519
flat angles C4'-P-C4' energy: -27.655
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -34.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 1.283333
Total energy: -194.486527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.486527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.486527 (E_RNA)
where:
Base-Base interactions energy: -117.672
where: short stacking energy: -72.434
Base-Backbone interact. energy: -0.119
local terms energy: -76.695976
where:
bonds (distance) C4'-P energy: -22.476
bonds (distance) P-C4' energy: -22.617
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.666667
Total energy: -87.122727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.122727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.122727 (E_RNA)
where:
Base-Base interactions energy: -22.656
where: short stacking energy: -18.486
Base-Backbone interact. energy: -0.426
local terms energy: -64.040769
where:
bonds (distance) C4'-P energy: -19.955
bonds (distance) P-C4' energy: -22.227
flat angles C4'-P-C4' energy: -22.524
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: 9.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 269
Temperature: 2.050000
Total energy: -61.013621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.013621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.013621 (E_RNA)
where:
Base-Base interactions energy: -9.706
where: short stacking energy: -9.132
Base-Backbone interact. energy: 0.425
local terms energy: -51.731963
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -21.043
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: 6.792
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: 269
Temperature: 2.433333
Total energy: -53.141711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.141711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.141711 (E_RNA)
where:
Base-Base interactions energy: -11.101
where: short stacking energy: -10.573
Base-Backbone interact. energy: -0.446
local terms energy: -41.594214
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -4.897
tors. eta vs tors. theta energy: 11.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 269
Temperature: 2.816667
Total energy: -46.353371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.353371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.353371 (E_RNA)
where:
Base-Base interactions energy: -10.087
where: short stacking energy: -8.602
Base-Backbone interact. energy: -0.337
local terms energy: -35.928805
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -19.737
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -3.597
tors. eta vs tors. theta energy: 17.880
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: 7, replica: 3
=====================================
Write number: 269
Temperature: 3.200000
Total energy: -26.994326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.994326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.994326 (E_RNA)
where:
Base-Base interactions energy: -9.378
where: short stacking energy: -8.636
Base-Backbone interact. energy: -0.788
local terms energy: -16.828423
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -1.687
flat angles P-C4'-P energy: -5.327
tors. eta vs tors. theta energy: 13.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 269
Temperature: 3.583333
Total energy: -22.468728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.468728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.468728 (E_RNA)
where:
Base-Base interactions energy: -8.481
where: short stacking energy: -3.886
Base-Backbone interact. energy: 0.209
local terms energy: -14.196555
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -0.060
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: 0.336
tors. eta vs tors. theta energy: 8.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 269
Temperature: 3.966667
Total energy: -11.338095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.338095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.338095 (E_RNA)
where:
Base-Base interactions energy: -2.991
where: short stacking energy: -1.274
Base-Backbone interact. energy: 6.030
local terms energy: -14.376878
where:
bonds (distance) C4'-P energy: -11.020
bonds (distance) P-C4' energy: -9.023
flat angles C4'-P-C4' energy: 4.877
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: 11.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 269
Temperature: 4.350000
Total energy: -9.860180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.860180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.860180 (E_RNA)
where:
Base-Base interactions energy: -2.831
where: short stacking energy: -2.917
Base-Backbone interact. energy: -0.127
local terms energy: -6.901775
where:
bonds (distance) C4'-P energy: -23.324
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: 3.679
flat angles P-C4'-P energy: 9.185
tors. eta vs tors. theta energy: 16.808
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: 270
Temperature: 0.900000
Total energy: -386.811663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.811663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.811663 (E_RNA)
where:
Base-Base interactions energy: -264.336
where: short stacking energy: -124.563
Base-Backbone interact. energy: 0.907
local terms energy: -123.383451
where:
bonds (distance) C4'-P energy: -24.739
bonds (distance) P-C4' energy: -26.768
flat angles C4'-P-C4' energy: -27.711
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -33.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 1.283333
Total energy: -201.079359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.079359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.079359 (E_RNA)
where:
Base-Base interactions energy: -108.416
where: short stacking energy: -60.609
Base-Backbone interact. energy: -0.127
local terms energy: -92.535567
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -26.815
flat angles C4'-P-C4' energy: -27.220
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.666667
Total energy: -87.071000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.071000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.071000 (E_RNA)
where:
Base-Base interactions energy: -27.847
where: short stacking energy: -24.271
Base-Backbone interact. energy: -0.164
local terms energy: -59.059751
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: 6.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 270
Temperature: 2.050000
Total energy: -53.769507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.769507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.769507 (E_RNA)
where:
Base-Base interactions energy: -12.940
where: short stacking energy: -3.353
Base-Backbone interact. energy: 0.661
local terms energy: -41.489952
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -20.490
flat angles C4'-P-C4' energy: -9.765
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: 8.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 270
Temperature: 2.433333
Total energy: -57.066624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.066624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.066624 (E_RNA)
where:
Base-Base interactions energy: -14.517
where: short stacking energy: -13.649
Base-Backbone interact. energy: 1.777
local terms energy: -44.326720
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -24.768
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: 5.544
tors. eta vs tors. theta energy: 9.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 270
Temperature: 2.816667
Total energy: -30.884169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.884169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.884169 (E_RNA)
where:
Base-Base interactions energy: -14.329
where: short stacking energy: -14.281
Base-Backbone interact. energy: -0.534
local terms energy: -16.020767
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -9.501
flat angles C4'-P-C4' energy: -2.962
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: 13.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 270
Temperature: 3.200000
Total energy: -31.925218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.925218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.925218 (E_RNA)
where:
Base-Base interactions energy: -7.179
where: short stacking energy: -7.431
Base-Backbone interact. energy: 3.713
local terms energy: -28.459018
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -4.041
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: 16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 270
Temperature: 3.583333
Total energy: -15.378816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.378816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.378816 (E_RNA)
where:
Base-Base interactions energy: -1.882
where: short stacking energy: -2.582
Base-Backbone interact. energy: -0.638
local terms energy: -12.859439
where:
bonds (distance) C4'-P energy: -23.091
bonds (distance) P-C4' energy: -2.580
flat angles C4'-P-C4' energy: -6.018
flat angles P-C4'-P energy: 1.196
tors. eta vs tors. theta energy: 17.634
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: 9, replica: 9
=====================================
Write number: 270
Temperature: 3.966667
Total energy: -5.909399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.909399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.909399 (E_RNA)
where:
Base-Base interactions energy: -11.264
where: short stacking energy: -10.007
Base-Backbone interact. energy: -0.666
local terms energy: 6.020344
where:
bonds (distance) C4'-P energy: -2.495
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: 1.981
flat angles P-C4'-P energy: 11.773
tors. eta vs tors. theta energy: 11.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 4.350000
Total energy: -1.412030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.412030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.412030 (E_RNA)
where:
Base-Base interactions energy: -0.444
where: short stacking energy: -0.085
Base-Backbone interact. energy: -0.133
local terms energy: -0.835486
where:
bonds (distance) C4'-P energy: 1.612
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: 1.646
flat angles P-C4'-P energy: -2.644
tors. eta vs tors. theta energy: 9.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -381.358409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.358409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.358409 (E_RNA)
where:
Base-Base interactions energy: -261.186
where: short stacking energy: -112.882
Base-Backbone interact. energy: -0.317
local terms energy: -119.855659
where:
bonds (distance) C4'-P energy: -26.027
bonds (distance) P-C4' energy: -24.180
flat angles C4'-P-C4' energy: -26.491
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -31.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 1.283333
Total energy: -196.648561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.648561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.648561 (E_RNA)
where:
Base-Base interactions energy: -100.900
where: short stacking energy: -59.196
Base-Backbone interact. energy: -0.605
local terms energy: -95.144069
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -24.740
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -14.392
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: 4
=====================================
Write number: 271
Temperature: 1.666667
Total energy: -81.980828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.980828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.980828 (E_RNA)
where:
Base-Base interactions energy: -20.678
where: short stacking energy: -19.254
Base-Backbone interact. energy: 1.573
local terms energy: -62.875544
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -19.564
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: 2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 271
Temperature: 2.050000
Total energy: -64.888348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.888348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.888348 (E_RNA)
where:
Base-Base interactions energy: -21.819
where: short stacking energy: -20.723
Base-Backbone interact. energy: -0.555
local terms energy: -42.515130
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: 1.689
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: 5
=====================================
Write number: 271
Temperature: 2.433333
Total energy: -41.901566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.901566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.901566 (E_RNA)
where:
Base-Base interactions energy: -6.513
where: short stacking energy: -1.391
Base-Backbone interact. energy: 1.546
local terms energy: -36.934265
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: 15.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 271
Temperature: 2.816667
Total energy: -35.931425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.931425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.931425 (E_RNA)
where:
Base-Base interactions energy: -8.357
where: short stacking energy: -6.813
Base-Backbone interact. energy: 0.349
local terms energy: -27.923323
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: 2.777
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: 11.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 271
Temperature: 3.200000
Total energy: -21.608772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.608772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.608772 (E_RNA)
where:
Base-Base interactions energy: -0.378
where: short stacking energy: -0.068
Base-Backbone interact. energy: -0.112
local terms energy: -21.118685
where:
bonds (distance) C4'-P energy: -4.713
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -2.067
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: 11.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 271
Temperature: 3.583333
Total energy: -14.900065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.900065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.900065 (E_RNA)
where:
Base-Base interactions energy: -7.389
where: short stacking energy: -1.656
Base-Backbone interact. energy: -1.061
local terms energy: -6.449831
where:
bonds (distance) C4'-P energy: -8.089
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -7.478
flat angles P-C4'-P energy: 7.332
tors. eta vs tors. theta energy: 13.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 271
Temperature: 3.966667
Total energy: -6.934578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.934578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.934578 (E_RNA)
where:
Base-Base interactions energy: -2.608
where: short stacking energy: -2.039
Base-Backbone interact. energy: -0.534
local terms energy: -3.792414
where:
bonds (distance) C4'-P energy: -9.605
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: 1.489
flat angles P-C4'-P energy: -0.579
tors. eta vs tors. theta energy: 18.947
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: 10
=====================================
Write number: 271
Temperature: 4.350000
Total energy: -6.352944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.352944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.352944 (E_RNA)
where:
Base-Base interactions energy: -12.235
where: short stacking energy: -10.966
Base-Backbone interact. energy: -2.377
local terms energy: 8.258529
where:
bonds (distance) C4'-P energy: -1.449
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: 11.310
flat angles P-C4'-P energy: 2.194
tors. eta vs tors. theta energy: 14.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -379.599463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.599463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.599463 (E_RNA)
where:
Base-Base interactions energy: -250.059
where: short stacking energy: -113.537
Base-Backbone interact. energy: -0.104
local terms energy: -129.436139
where:
bonds (distance) C4'-P energy: -24.922
bonds (distance) P-C4' energy: -27.216
flat angles C4'-P-C4' energy: -28.002
flat angles P-C4'-P energy: -20.160
tors. eta vs tors. theta energy: -29.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 1.283333
Total energy: -200.418898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.418898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.418898 (E_RNA)
where:
Base-Base interactions energy: -112.635
where: short stacking energy: -66.398
Base-Backbone interact. energy: -0.330
local terms energy: -87.454255
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -19.727
flat angles C4'-P-C4' energy: -23.104
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -7.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 272
Temperature: 1.666667
Total energy: -89.347120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.347120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.347120 (E_RNA)
where:
Base-Base interactions energy: -25.258
where: short stacking energy: -17.428
Base-Backbone interact. energy: 2.254
local terms energy: -66.343269
where:
bonds (distance) C4'-P energy: -25.945
bonds (distance) P-C4' energy: -19.609
flat angles C4'-P-C4' energy: -23.861
flat angles P-C4'-P energy: -5.006
tors. eta vs tors. theta energy: 8.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 272
Temperature: 2.050000
Total energy: -61.571080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.571080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.571080 (E_RNA)
where:
Base-Base interactions energy: -16.271
where: short stacking energy: -15.498
Base-Backbone interact. energy: -0.496
local terms energy: -44.804339
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -4.649
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: 4.234
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: 5, replica: 8
=====================================
Write number: 272
Temperature: 2.433333
Total energy: -47.513859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.513859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.513859 (E_RNA)
where:
Base-Base interactions energy: -5.119
where: short stacking energy: -5.119
Base-Backbone interact. energy: -0.252
local terms energy: -42.143086
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: 14.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 2.816667
Total energy: -41.259826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.259826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.259826 (E_RNA)
where:
Base-Base interactions energy: -12.033
where: short stacking energy: -7.601
Base-Backbone interact. energy: 4.239
local terms energy: -33.465964
where:
bonds (distance) C4'-P energy: -5.917
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: 10.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 272
Temperature: 3.200000
Total energy: -23.126643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.126643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.126643 (E_RNA)
where:
Base-Base interactions energy: -7.331
where: short stacking energy: -6.861
Base-Backbone interact. energy: -0.197
local terms energy: -15.598912
where:
bonds (distance) C4'-P energy: 0.866
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -6.558
flat angles P-C4'-P energy: -2.006
tors. eta vs tors. theta energy: 13.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 272
Temperature: 3.583333
Total energy: -14.628620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.628620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.628620 (E_RNA)
where:
Base-Base interactions energy: -4.739
where: short stacking energy: -4.739
Base-Backbone interact. energy: -0.339
local terms energy: -9.550367
where:
bonds (distance) C4'-P energy: -9.033
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: 14.327
tors. eta vs tors. theta energy: 17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 3.966667
Total energy: -6.020491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.020491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.020491 (E_RNA)
where:
Base-Base interactions energy: 0.876
where: short stacking energy: -0.424
Base-Backbone interact. energy: 2.273
local terms energy: -9.168995
where:
bonds (distance) C4'-P energy: -6.494
bonds (distance) P-C4' energy: -8.773
flat angles C4'-P-C4' energy: -6.721
flat angles P-C4'-P energy: -1.833
tors. eta vs tors. theta energy: 14.652
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: 272
Temperature: 4.350000
Total energy: 4.389182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4.389182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 4.389182 (E_RNA)
where:
Base-Base interactions energy: -0.940
where: short stacking energy: -0.631
Base-Backbone interact. energy: -0.375
local terms energy: 5.704616
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -5.124
flat angles C4'-P-C4' energy: 7.265
flat angles P-C4'-P energy: 1.231
tors. eta vs tors. theta energy: 12.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -380.739365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.739365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.739365 (E_RNA)
where:
Base-Base interactions energy: -250.102
where: short stacking energy: -113.090
Base-Backbone interact. energy: 0.792
local terms energy: -131.429443
where:
bonds (distance) C4'-P energy: -25.966
bonds (distance) P-C4' energy: -28.237
flat angles C4'-P-C4' energy: -28.806
flat angles P-C4'-P energy: -18.210
tors. eta vs tors. theta energy: -30.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 273
Temperature: 1.283333
Total energy: -194.564620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.564620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.564620 (E_RNA)
where:
Base-Base interactions energy: -116.511
where: short stacking energy: -56.707
Base-Backbone interact. energy: -0.096
local terms energy: -77.957100
where:
bonds (distance) C4'-P energy: -21.036
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -19.641
flat angles P-C4'-P energy: -15.565
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 273
Temperature: 1.666667
Total energy: -83.568699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.568699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.568699 (E_RNA)
where:
Base-Base interactions energy: -28.859
where: short stacking energy: -26.073
Base-Backbone interact. energy: -0.522
local terms energy: -54.187226
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: 10.727
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: 4
=====================================
Write number: 273
Temperature: 2.050000
Total energy: -66.737951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.737951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.737951 (E_RNA)
where:
Base-Base interactions energy: -12.551
where: short stacking energy: -11.340
Base-Backbone interact. energy: -0.914
local terms energy: -53.273370
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: 7.815
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: 8
=====================================
Write number: 273
Temperature: 2.433333
Total energy: -47.647763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.647763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.647763 (E_RNA)
where:
Base-Base interactions energy: -8.920
where: short stacking energy: -10.120
Base-Backbone interact. energy: -0.703
local terms energy: -38.024973
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: 17.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 273
Temperature: 2.816667
Total energy: -37.702049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.702049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.702049 (E_RNA)
where:
Base-Base interactions energy: -13.530
where: short stacking energy: -1.464
Base-Backbone interact. energy: 1.132
local terms energy: -25.304758
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: 1.427
tors. eta vs tors. theta energy: 13.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 273
Temperature: 3.200000
Total energy: -26.729151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.729151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.729151 (E_RNA)
where:
Base-Base interactions energy: -7.536
where: short stacking energy: -6.342
Base-Backbone interact. energy: 2.754
local terms energy: -21.947361
where:
bonds (distance) C4'-P energy: -2.640
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -3.073
tors. eta vs tors. theta energy: 14.611
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: 10
=====================================
Write number: 273
Temperature: 3.583333
Total energy: -20.909127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.909127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.909127 (E_RNA)
where:
Base-Base interactions energy: 0.522
where: short stacking energy: -1.053
Base-Backbone interact. energy: 0.053
local terms energy: -21.483960
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -1.494
flat angles P-C4'-P energy: -1.678
tors. eta vs tors. theta energy: 14.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 3.966667
Total energy: -6.337526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.337526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.337526 (E_RNA)
where:
Base-Base interactions energy: -3.045
where: short stacking energy: -4.003
Base-Backbone interact. energy: 2.237
local terms energy: -5.529520
where:
bonds (distance) C4'-P energy: -6.085
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -9.066
flat angles P-C4'-P energy: 1.921
tors. eta vs tors. theta energy: 20.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 4.350000
Total energy: -3.015972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.015972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.015972 (E_RNA)
where:
Base-Base interactions energy: -5.437
where: short stacking energy: -5.437
Base-Backbone interact. energy: 1.590
local terms energy: 0.831436
where:
bonds (distance) C4'-P energy: -1.867
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: 2.847
flat angles P-C4'-P energy: 0.248
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: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -390.686151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.686151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.686151 (E_RNA)
where:
Base-Base interactions energy: -271.104
where: short stacking energy: -111.541
Base-Backbone interact. energy: -1.213
local terms energy: -118.369379
where:
bonds (distance) C4'-P energy: -24.445
bonds (distance) P-C4' energy: -25.467
flat angles C4'-P-C4' energy: -28.104
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -26.122
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: 2, replica: 2
=====================================
Write number: 274
Temperature: 1.283333
Total energy: -188.663568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.663568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.663568 (E_RNA)
where:
Base-Base interactions energy: -98.520
where: short stacking energy: -52.154
Base-Backbone interact. energy: 0.130
local terms energy: -90.273222
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -24.769
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -19.591
tors. eta vs tors. theta energy: -9.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.666667
Total energy: -98.965749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.965749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.965749 (E_RNA)
where:
Base-Base interactions energy: -34.570
where: short stacking energy: -23.997
Base-Backbone interact. energy: 0.226
local terms energy: -64.621296
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -2.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 274
Temperature: 2.050000
Total energy: -62.885838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.885838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.885838 (E_RNA)
where:
Base-Base interactions energy: -13.305
where: short stacking energy: -12.657
Base-Backbone interact. energy: 2.875
local terms energy: -52.456088
where:
bonds (distance) C4'-P energy: -20.015
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: 5.889
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: 274
Temperature: 2.433333
Total energy: -46.910364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.910364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.910364 (E_RNA)
where:
Base-Base interactions energy: -16.108
where: short stacking energy: -9.882
Base-Backbone interact. energy: 1.072
local terms energy: -31.874212
where:
bonds (distance) C4'-P energy: -8.850
bonds (distance) P-C4' energy: -20.494
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: 19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 2.816667
Total energy: -34.594204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.594204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.594204 (E_RNA)
where:
Base-Base interactions energy: -4.083
where: short stacking energy: -2.663
Base-Backbone interact. energy: 5.265
local terms energy: -35.776422
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: 0.102
tors. eta vs tors. theta energy: 10.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 274
Temperature: 3.200000
Total energy: -26.345156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.345156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.345156 (E_RNA)
where:
Base-Base interactions energy: -6.051
where: short stacking energy: -7.716
Base-Backbone interact. energy: 2.379
local terms energy: -22.673536
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -7.969
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -4.272
tors. eta vs tors. theta energy: 17.005
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: 5
=====================================
Write number: 274
Temperature: 3.583333
Total energy: -9.690868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.690868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.690868 (E_RNA)
where:
Base-Base interactions energy: -1.269
where: short stacking energy: -0.717
Base-Backbone interact. energy: -1.192
local terms energy: -7.229568
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -8.770
flat angles C4'-P-C4' energy: 3.604
flat angles P-C4'-P energy: -1.020
tors. eta vs tors. theta energy: 15.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 274
Temperature: 3.966667
Total energy: -5.230908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.230908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.230908 (E_RNA)
where:
Base-Base interactions energy: -4.249
where: short stacking energy: -1.607
Base-Backbone interact. energy: 9.908
local terms energy: -10.889694
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -0.932
flat angles C4'-P-C4' energy: -5.054
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: 10.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 274
Temperature: 4.350000
Total energy: 0.511016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.511016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.511016 (E_RNA)
where:
Base-Base interactions energy: -6.610
where: short stacking energy: -5.092
Base-Backbone interact. energy: 5.353
local terms energy: 1.768100
where:
bonds (distance) C4'-P energy: -7.610
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -4.545
flat angles P-C4'-P energy: 10.595
tors. eta vs tors. theta energy: 14.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -387.239831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.239831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.239831 (E_RNA)
where:
Base-Base interactions energy: -256.898
where: short stacking energy: -113.102
Base-Backbone interact. energy: -0.185
local terms energy: -130.156593
where:
bonds (distance) C4'-P energy: -25.743
bonds (distance) P-C4' energy: -27.306
flat angles C4'-P-C4' energy: -25.651
flat angles P-C4'-P energy: -19.172
tors. eta vs tors. theta energy: -32.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 1.283333
Total energy: -200.236546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.236546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.236546 (E_RNA)
where:
Base-Base interactions energy: -116.501
where: short stacking energy: -60.052
Base-Backbone interact. energy: 2.231
local terms energy: -85.966897
where:
bonds (distance) C4'-P energy: -22.129
bonds (distance) P-C4' energy: -24.847
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -7.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.666667
Total energy: -102.137669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.137669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.137669 (E_RNA)
where:
Base-Base interactions energy: -50.784
where: short stacking energy: -13.801
Base-Backbone interact. energy: 0.084
local terms energy: -51.437918
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: 6.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 2.050000
Total energy: -72.184262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.184262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.184262 (E_RNA)
where:
Base-Base interactions energy: -37.265
where: short stacking energy: -13.656
Base-Backbone interact. energy: 0.625
local terms energy: -35.543706
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: 4.217
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: 275
Temperature: 2.433333
Total energy: -50.190541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.190541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.190541 (E_RNA)
where:
Base-Base interactions energy: -18.545
where: short stacking energy: -17.623
Base-Backbone interact. energy: -0.689
local terms energy: -30.956276
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -3.593
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: 12.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 2.816667
Total energy: -33.144503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.144503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.144503 (E_RNA)
where:
Base-Base interactions energy: -2.960
where: short stacking energy: -1.710
Base-Backbone interact. energy: -0.303
local terms energy: -29.880682
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -6.803
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: 16.390
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: 275
Temperature: 3.200000
Total energy: -21.908067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.908067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.908067 (E_RNA)
where:
Base-Base interactions energy: -9.598
where: short stacking energy: -4.152
Base-Backbone interact. energy: 0.983
local terms energy: -13.293055
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -7.172
flat angles C4'-P-C4' energy: 1.791
flat angles P-C4'-P energy: -3.161
tors. eta vs tors. theta energy: 13.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 275
Temperature: 3.583333
Total energy: -15.950995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.950995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.950995 (E_RNA)
where:
Base-Base interactions energy: -7.936
where: short stacking energy: -6.709
Base-Backbone interact. energy: 2.172
local terms energy: -10.186952
where:
bonds (distance) C4'-P energy: 1.942
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: 2.400
tors. eta vs tors. theta energy: 6.604
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: 5
=====================================
Write number: 275
Temperature: 3.966667
Total energy: -4.332721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.332721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.332721 (E_RNA)
where:
Base-Base interactions energy: -1.437
where: short stacking energy: -2.046
Base-Backbone interact. energy: 9.744
local terms energy: -12.639552
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -8.240
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: 0.584
tors. eta vs tors. theta energy: 25.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 4.350000
Total energy: -4.380237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.380237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.380237 (E_RNA)
where:
Base-Base interactions energy: -3.494
where: short stacking energy: -1.378
Base-Backbone interact. energy: 3.251
local terms energy: -4.136897
where:
bonds (distance) C4'-P energy: -3.879
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -6.500
flat angles P-C4'-P energy: 3.544
tors. eta vs tors. theta energy: 18.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -392.475892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.475892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.475892 (E_RNA)
where:
Base-Base interactions energy: -269.183
where: short stacking energy: -121.818
Base-Backbone interact. energy: -0.181
local terms energy: -123.111945
where:
bonds (distance) C4'-P energy: -25.865
bonds (distance) P-C4' energy: -19.325
flat angles C4'-P-C4' energy: -24.240
flat angles P-C4'-P energy: -22.330
tors. eta vs tors. theta energy: -31.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 276
Temperature: 1.283333
Total energy: -189.186501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.186501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.186501 (E_RNA)
where:
Base-Base interactions energy: -100.306
where: short stacking energy: -48.534
Base-Backbone interact. energy: -0.385
local terms energy: -88.496125
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -24.172
flat angles C4'-P-C4' energy: -26.303
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -5.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 276
Temperature: 1.666667
Total energy: -85.989216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.989216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.989216 (E_RNA)
where:
Base-Base interactions energy: -32.076
where: short stacking energy: -27.022
Base-Backbone interact. energy: -0.830
local terms energy: -53.083264
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -22.297
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: 3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 276
Temperature: 2.050000
Total energy: -71.731153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.731153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.731153 (E_RNA)
where:
Base-Base interactions energy: -13.220
where: short stacking energy: -13.093
Base-Backbone interact. energy: -1.004
local terms energy: -57.506474
where:
bonds (distance) C4'-P energy: -21.932
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: 8.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 276
Temperature: 2.433333
Total energy: -47.216248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.216248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.216248 (E_RNA)
where:
Base-Base interactions energy: -19.052
where: short stacking energy: -19.052
Base-Backbone interact. energy: 0.522
local terms energy: -28.686670
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: 0.356
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: 13.129
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: 3
=====================================
Write number: 276
Temperature: 2.816667
Total energy: -31.452659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.452659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.452659 (E_RNA)
where:
Base-Base interactions energy: -9.799
where: short stacking energy: -9.799
Base-Backbone interact. energy: 5.810
local terms energy: -27.463577
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: 5.750
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: 4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 3.200000
Total energy: -19.683156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.683156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.683156 (E_RNA)
where:
Base-Base interactions energy: -1.018
where: short stacking energy: 2.300
Base-Backbone interact. energy: 0.685
local terms energy: -19.350645
where:
bonds (distance) C4'-P energy: -8.567
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: 2.238
tors. eta vs tors. theta energy: 16.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 276
Temperature: 3.583333
Total energy: -25.049083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.049083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.049083 (E_RNA)
where:
Base-Base interactions energy: 1.205
where: short stacking energy: 0.305
Base-Backbone interact. energy: 0.973
local terms energy: -27.226806
where:
bonds (distance) C4'-P energy: -23.436
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: 1.799
tors. eta vs tors. theta energy: 16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 276
Temperature: 3.966667
Total energy: -18.434529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.434529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.434529 (E_RNA)
where:
Base-Base interactions energy: -12.430
where: short stacking energy: -8.719
Base-Backbone interact. energy: -0.741
local terms energy: -5.263564
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -2.956
flat angles P-C4'-P energy: 6.489
tors. eta vs tors. theta energy: 13.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 276
Temperature: 4.350000
Total energy: -0.202462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.202462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.202462 (E_RNA)
where:
Base-Base interactions energy: -3.504
where: short stacking energy: -2.892
Base-Backbone interact. energy: 3.818
local terms energy: -0.515921
where:
bonds (distance) C4'-P energy: -8.983
bonds (distance) P-C4' energy: -10.082
flat angles C4'-P-C4' energy: 1.118
flat angles P-C4'-P energy: 1.899
tors. eta vs tors. theta energy: 15.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -391.700596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.700596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.700596 (E_RNA)
where:
Base-Base interactions energy: -260.912
where: short stacking energy: -116.652
Base-Backbone interact. energy: -0.288
local terms energy: -130.500237
where:
bonds (distance) C4'-P energy: -28.396
bonds (distance) P-C4' energy: -24.879
flat angles C4'-P-C4' energy: -25.452
flat angles P-C4'-P energy: -18.564
tors. eta vs tors. theta energy: -33.209
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: 2
=====================================
Write number: 277
Temperature: 1.283333
Total energy: -223.485070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.485070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.485070 (E_RNA)
where:
Base-Base interactions energy: -142.450
where: short stacking energy: -72.441
Base-Backbone interact. energy: -0.658
local terms energy: -80.377234
where:
bonds (distance) C4'-P energy: -23.711
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -14.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.666667
Total energy: -88.440820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.440820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.440820 (E_RNA)
where:
Base-Base interactions energy: -38.093
where: short stacking energy: -19.022
Base-Backbone interact. energy: 1.510
local terms energy: -51.857206
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -20.688
flat angles C4'-P-C4' energy: -5.932
flat angles P-C4'-P energy: -17.527
tors. eta vs tors. theta energy: 7.567
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: 277
Temperature: 2.050000
Total energy: -68.132622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.132622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.132622 (E_RNA)
where:
Base-Base interactions energy: -17.843
where: short stacking energy: -17.099
Base-Backbone interact. energy: -0.516
local terms energy: -49.773013
where:
bonds (distance) C4'-P energy: -9.692
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: 9.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 277
Temperature: 2.433333
Total energy: -46.521773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.521773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.521773 (E_RNA)
where:
Base-Base interactions energy: -7.143
where: short stacking energy: -3.491
Base-Backbone interact. energy: 0.231
local terms energy: -39.610004
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: 15.378
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: 277
Temperature: 2.816667
Total energy: -43.255941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.255941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.255941 (E_RNA)
where:
Base-Base interactions energy: -8.851
where: short stacking energy: -8.711
Base-Backbone interact. energy: -0.396
local terms energy: -34.008595
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: 12.449
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: 10
=====================================
Write number: 277
Temperature: 3.200000
Total energy: -25.237820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.237820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.237820 (E_RNA)
where:
Base-Base interactions energy: -9.969
where: short stacking energy: -6.172
Base-Backbone interact. energy: 5.680
local terms energy: -20.948201
where:
bonds (distance) C4'-P energy: -4.573
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -1.690
tors. eta vs tors. theta energy: 14.058
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: 5
=====================================
Write number: 277
Temperature: 3.583333
Total energy: -16.201092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.201092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.201092 (E_RNA)
where:
Base-Base interactions energy: -4.193
where: short stacking energy: -3.309
Base-Backbone interact. energy: -0.495
local terms energy: -11.512820
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: 0.279
flat angles P-C4'-P energy: 0.993
tors. eta vs tors. theta energy: 17.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 277
Temperature: 3.966667
Total energy: -19.663664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.663664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.663664 (E_RNA)
where:
Base-Base interactions energy: -7.455
where: short stacking energy: -5.884
Base-Backbone interact. energy: 5.291
local terms energy: -17.499677
where:
bonds (distance) C4'-P energy: -5.877
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -1.085
flat angles P-C4'-P energy: -1.869
tors. eta vs tors. theta energy: 9.725
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: 9
=====================================
Write number: 277
Temperature: 4.350000
Total energy: -11.112702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.112702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.112702 (E_RNA)
where:
Base-Base interactions energy: -3.223
where: short stacking energy: -4.994
Base-Backbone interact. energy: -2.040
local terms energy: -5.849950
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -2.994
flat angles C4'-P-C4' energy: -2.628
flat angles P-C4'-P energy: 0.382
tors. eta vs tors. theta energy: 12.187
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: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -396.125227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.125227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.125227 (E_RNA)
where:
Base-Base interactions energy: -271.375
where: short stacking energy: -121.594
Base-Backbone interact. energy: -0.616
local terms energy: -124.134834
where:
bonds (distance) C4'-P energy: -27.323
bonds (distance) P-C4' energy: -24.105
flat angles C4'-P-C4' energy: -28.205
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -30.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 1.283333
Total energy: -249.641500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.641500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.641500 (E_RNA)
where:
Base-Base interactions energy: -152.028
where: short stacking energy: -68.192
Base-Backbone interact. energy: -0.065
local terms energy: -97.548795
where:
bonds (distance) C4'-P energy: -23.895
bonds (distance) P-C4' energy: -29.015
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.666667
Total energy: -89.738382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.738382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.738382 (E_RNA)
where:
Base-Base interactions energy: -24.682
where: short stacking energy: -23.063
Base-Backbone interact. energy: -0.375
local terms energy: -64.680445
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: 2.948
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: 6
=====================================
Write number: 278
Temperature: 2.050000
Total energy: -61.347632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.347632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.347632 (E_RNA)
where:
Base-Base interactions energy: -23.105
where: short stacking energy: -20.165
Base-Backbone interact. energy: -0.723
local terms energy: -37.520086
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -3.745
flat angles P-C4'-P energy: -4.767
tors. eta vs tors. theta energy: 3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 278
Temperature: 2.433333
Total energy: -40.484948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.484948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.484948 (E_RNA)
where:
Base-Base interactions energy: -21.964
where: short stacking energy: -13.669
Base-Backbone interact. energy: -0.407
local terms energy: -18.113941
where:
bonds (distance) C4'-P energy: -7.135
bonds (distance) P-C4' energy: -9.089
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: 18.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 2.816667
Total energy: -31.030424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.030424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.030424 (E_RNA)
where:
Base-Base interactions energy: -7.208
where: short stacking energy: -6.975
Base-Backbone interact. energy: 0.486
local terms energy: -24.308041
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -7.556
flat angles P-C4'-P energy: 4.543
tors. eta vs tors. theta energy: 13.173
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: 10
=====================================
Write number: 278
Temperature: 3.200000
Total energy: -26.286972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.286972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.286972 (E_RNA)
where:
Base-Base interactions energy: -3.372
where: short stacking energy: -2.530
Base-Backbone interact. energy: 0.084
local terms energy: -22.998666
where:
bonds (distance) C4'-P energy: -4.594
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -8.758
flat angles P-C4'-P energy: 2.492
tors. eta vs tors. theta energy: 7.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 278
Temperature: 3.583333
Total energy: -15.656154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.656154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.656154 (E_RNA)
where:
Base-Base interactions energy: -6.085
where: short stacking energy: -4.184
Base-Backbone interact. energy: 4.377
local terms energy: -13.947969
where:
bonds (distance) C4'-P energy: -7.103
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -1.180
flat angles P-C4'-P energy: -0.309
tors. eta vs tors. theta energy: 12.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 278
Temperature: 3.966667
Total energy: -6.079706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.079706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.079706 (E_RNA)
where:
Base-Base interactions energy: -4.179
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.229
local terms energy: -1.671385
where:
bonds (distance) C4'-P energy: -4.011
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: 2.535
flat angles P-C4'-P energy: 6.718
tors. eta vs tors. theta energy: 13.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 278
Temperature: 4.350000
Total energy: 4.604246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4.604246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 4.604246 (E_RNA)
where:
Base-Base interactions energy: -11.527
where: short stacking energy: -6.342
Base-Backbone interact. energy: 7.363
local terms energy: 8.767858
where:
bonds (distance) C4'-P energy: -3.651
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -4.257
flat angles P-C4'-P energy: 13.627
tors. eta vs tors. theta energy: 15.875
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: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -403.389766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.389766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.389766 (E_RNA)
where:
Base-Base interactions energy: -277.078
where: short stacking energy: -125.726
Base-Backbone interact. energy: -0.412
local terms energy: -125.899544
where:
bonds (distance) C4'-P energy: -23.086
bonds (distance) P-C4' energy: -27.184
flat angles C4'-P-C4' energy: -25.132
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -32.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 279
Temperature: 1.283333
Total energy: -230.489604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.489604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.489604 (E_RNA)
where:
Base-Base interactions energy: -149.074
where: short stacking energy: -69.073
Base-Backbone interact. energy: -0.755
local terms energy: -80.661245
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -22.178
flat angles C4'-P-C4' energy: -19.654
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -8.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 279
Temperature: 1.666667
Total energy: -84.192402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.192402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.192402 (E_RNA)
where:
Base-Base interactions energy: -27.367
where: short stacking energy: -24.358
Base-Backbone interact. energy: -0.512
local terms energy: -56.313664
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: 2.502
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: 4, replica: 6
=====================================
Write number: 279
Temperature: 2.050000
Total energy: -55.424218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.424218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.424218 (E_RNA)
where:
Base-Base interactions energy: -29.005
where: short stacking energy: -28.026
Base-Backbone interact. energy: 6.086
local terms energy: -32.505169
where:
bonds (distance) C4'-P energy: -9.274
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: 2.788
tors. eta vs tors. theta energy: 9.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 279
Temperature: 2.433333
Total energy: -52.529098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.529098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.529098 (E_RNA)
where:
Base-Base interactions energy: -10.959
where: short stacking energy: -2.222
Base-Backbone interact. energy: 5.477
local terms energy: -47.047037
where:
bonds (distance) C4'-P energy: -20.928
bonds (distance) P-C4' energy: -24.477
flat angles C4'-P-C4' energy: -8.653
flat angles P-C4'-P energy: -4.666
tors. eta vs tors. theta energy: 11.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 2.816667
Total energy: -34.486109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.486109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.486109 (E_RNA)
where:
Base-Base interactions energy: -18.270
where: short stacking energy: -4.153
Base-Backbone interact. energy: -0.964
local terms energy: -15.252408
where:
bonds (distance) C4'-P energy: -2.644
bonds (distance) P-C4' energy: -10.611
flat angles C4'-P-C4' energy: -1.678
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: 7.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 279
Temperature: 3.200000
Total energy: -26.956114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.956114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.956114 (E_RNA)
where:
Base-Base interactions energy: -2.186
where: short stacking energy: -0.094
Base-Backbone interact. energy: -1.019
local terms energy: -23.751223
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: 2.736
tors. eta vs tors. theta energy: 15.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 279
Temperature: 3.583333
Total energy: -17.241109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.241109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.241109 (E_RNA)
where:
Base-Base interactions energy: -12.607
where: short stacking energy: -0.137
Base-Backbone interact. energy: 4.686
local terms energy: -9.319281
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -8.820
flat angles P-C4'-P energy: 1.617
tors. eta vs tors. theta energy: 19.810
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: 9
=====================================
Write number: 279
Temperature: 3.966667
Total energy: -31.395493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.395493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.395493 (E_RNA)
where:
Base-Base interactions energy: -6.155
where: short stacking energy: -6.155
Base-Backbone interact. energy: 3.617
local terms energy: -28.857622
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -4.149
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: 13.209
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: 7
=====================================
Write number: 279
Temperature: 4.350000
Total energy: -8.080778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.080778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.080778 (E_RNA)
where:
Base-Base interactions energy: -7.200
where: short stacking energy: -7.200
Base-Backbone interact. energy: 4.246
local terms energy: -5.127037
where:
bonds (distance) C4'-P energy: -7.060
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: 2.783
flat angles P-C4'-P energy: -0.365
tors. eta vs tors. theta energy: 14.767
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: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -397.383518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.383518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.383518 (E_RNA)
where:
Base-Base interactions energy: -278.250
where: short stacking energy: -120.213
Base-Backbone interact. energy: 0.013
local terms energy: -119.146053
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -23.555
flat angles C4'-P-C4' energy: -27.698
flat angles P-C4'-P energy: -17.964
tors. eta vs tors. theta energy: -31.321
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: 2
=====================================
Write number: 280
Temperature: 1.283333
Total energy: -244.471405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.471405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.471405 (E_RNA)
where:
Base-Base interactions energy: -141.457
where: short stacking energy: -68.903
Base-Backbone interact. energy: -0.438
local terms energy: -102.576417
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -24.676
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -24.154
tors. eta vs tors. theta energy: -15.757
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: 4
=====================================
Write number: 280
Temperature: 1.666667
Total energy: -88.267264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.267264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.267264 (E_RNA)
where:
Base-Base interactions energy: -30.412
where: short stacking energy: -25.979
Base-Backbone interact. energy: -0.452
local terms energy: -57.403510
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: 5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 280
Temperature: 2.050000
Total energy: -69.613036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.613036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.613036 (E_RNA)
where:
Base-Base interactions energy: -30.049
where: short stacking energy: -27.270
Base-Backbone interact. energy: -0.434
local terms energy: -39.130151
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -24.935
flat angles C4'-P-C4' energy: -9.715
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: 11.570
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: 3
=====================================
Write number: 280
Temperature: 2.433333
Total energy: -47.325924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.325924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.325924 (E_RNA)
where:
Base-Base interactions energy: -12.759
where: short stacking energy: -8.474
Base-Backbone interact. energy: 2.508
local terms energy: -37.075393
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -8.934
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -8.936
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: 6, replica: 8
=====================================
Write number: 280
Temperature: 2.816667
Total energy: -35.231165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.231165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.231165 (E_RNA)
where:
Base-Base interactions energy: -16.678
where: short stacking energy: -16.414
Base-Backbone interact. energy: 1.918
local terms energy: -20.470331
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -8.959
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: 1.960
tors. eta vs tors. theta energy: 9.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 280
Temperature: 3.200000
Total energy: -23.366142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.366142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.366142 (E_RNA)
where:
Base-Base interactions energy: -9.535
where: short stacking energy: -9.065
Base-Backbone interact. energy: 0.457
local terms energy: -14.288034
where:
bonds (distance) C4'-P energy: -7.944
bonds (distance) P-C4' energy: -8.029
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -1.882
tors. eta vs tors. theta energy: 13.103
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: 280
Temperature: 3.583333
Total energy: -11.929600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.929600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.929600 (E_RNA)
where:
Base-Base interactions energy: -4.085
where: short stacking energy: -0.139
Base-Backbone interact. energy: 6.756
local terms energy: -14.600496
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -3.466
flat angles P-C4'-P energy: -1.134
tors. eta vs tors. theta energy: 18.593
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: 9
=====================================
Write number: 280
Temperature: 3.966667
Total energy: -14.497178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.497178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.497178 (E_RNA)
where:
Base-Base interactions energy: 0.444
where: short stacking energy: 4.878
Base-Backbone interact. energy: -0.409
local terms energy: -14.532843
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -10.188
flat angles C4'-P-C4' energy: -6.427
flat angles P-C4'-P energy: 2.712
tors. eta vs tors. theta energy: 13.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 280
Temperature: 4.350000
Total energy: -3.635418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.635418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.635418 (E_RNA)
where:
Base-Base interactions energy: -8.620
where: short stacking energy: -9.520
Base-Backbone interact. energy: 8.346
local terms energy: -3.361827
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -3.863
flat angles C4'-P-C4' energy: -3.936
flat angles P-C4'-P energy: 5.328
tors. eta vs tors. theta energy: 13.793
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: 1, replica: 1
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -392.853343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.853343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.853343 (E_RNA)
where:
Base-Base interactions energy: -262.625
where: short stacking energy: -118.399
Base-Backbone interact. energy: -0.156
local terms energy: -130.072306
where:
bonds (distance) C4'-P energy: -27.140
bonds (distance) P-C4' energy: -25.663
flat angles C4'-P-C4' energy: -29.684
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -33.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 1.283333
Total energy: -226.736156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.736156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.736156 (E_RNA)
where:
Base-Base interactions energy: -137.257
where: short stacking energy: -62.841
Base-Backbone interact. energy: -0.797
local terms energy: -88.682288
where:
bonds (distance) C4'-P energy: -20.873
bonds (distance) P-C4' energy: -21.153
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: -11.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 281
Temperature: 1.666667
Total energy: -102.795190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.795190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.795190 (E_RNA)
where:
Base-Base interactions energy: -29.976
where: short stacking energy: -26.161
Base-Backbone interact. energy: 0.011
local terms energy: -72.829813
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -24.532
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: 0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 281
Temperature: 2.050000
Total energy: -63.080284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.080284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.080284 (E_RNA)
where:
Base-Base interactions energy: -11.692
where: short stacking energy: -11.739
Base-Backbone interact. energy: 0.253
local terms energy: -51.641638
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -9.639
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: 11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 281
Temperature: 2.433333
Total energy: -43.904671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.904671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.904671 (E_RNA)
where:
Base-Base interactions energy: -11.184
where: short stacking energy: -6.608
Base-Backbone interact. energy: -0.095
local terms energy: -32.626058
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -6.096
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: 11.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 281
Temperature: 2.816667
Total energy: -40.908438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.908438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.908438 (E_RNA)
where:
Base-Base interactions energy: -11.845
where: short stacking energy: -4.934
Base-Backbone interact. energy: -0.533
local terms energy: -28.530461
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: 1.471
flat angles P-C4'-P energy: -5.089
tors. eta vs tors. theta energy: 12.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 281
Temperature: 3.200000
Total energy: -27.851751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.851751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.851751 (E_RNA)
where:
Base-Base interactions energy: -8.757
where: short stacking energy: -8.757
Base-Backbone interact. energy: 0.126
local terms energy: -19.220806
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: 3.748
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: 7.098
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: 9
=====================================
Write number: 281
Temperature: 3.583333
Total energy: -21.201922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.201922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.201922 (E_RNA)
where:
Base-Base interactions energy: -8.645
where: short stacking energy: -1.761
Base-Backbone interact. energy: -0.541
local terms energy: -12.015709
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: 1.920
flat angles P-C4'-P energy: 1.103
tors. eta vs tors. theta energy: 9.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 281
Temperature: 3.966667
Total energy: -11.665705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.665705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.665705 (E_RNA)
where:
Base-Base interactions energy: -9.576
where: short stacking energy: -6.379
Base-Backbone interact. energy: -0.108
local terms energy: -1.982277
where:
bonds (distance) C4'-P energy: -3.479
bonds (distance) P-C4' energy: -5.306
flat angles C4'-P-C4' energy: -10.052
flat angles P-C4'-P energy: 5.316
tors. eta vs tors. theta energy: 11.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 281
Temperature: 4.350000
Total energy: 6.777105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 6.777105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 6.777105 (E_RNA)
where:
Base-Base interactions energy: -6.747
where: short stacking energy: -6.389
Base-Backbone interact. energy: 1.157
local terms energy: 12.367726
where:
bonds (distance) C4'-P energy: -9.190
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: 10.893
flat angles P-C4'-P energy: 7.732
tors. eta vs tors. theta energy: 16.650
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: 1
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -398.724392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.724392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.724392 (E_RNA)
where:
Base-Base interactions energy: -277.620
where: short stacking energy: -115.602
Base-Backbone interact. energy: -0.656
local terms energy: -120.447932
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -24.612
flat angles C4'-P-C4' energy: -27.816
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -32.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 1.283333
Total energy: -232.367323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.367323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.367323 (E_RNA)
where:
Base-Base interactions energy: -138.504
where: short stacking energy: -73.234
Base-Backbone interact. energy: 0.217
local terms energy: -94.080182
where:
bonds (distance) C4'-P energy: -25.381
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -16.903
tors. eta vs tors. theta energy: -13.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 282
Temperature: 1.666667
Total energy: -84.627552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.627552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.627552 (E_RNA)
where:
Base-Base interactions energy: -33.854
where: short stacking energy: -22.611
Base-Backbone interact. energy: 0.495
local terms energy: -51.268491
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: 10.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 282
Temperature: 2.050000
Total energy: -67.874279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.874279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.874279 (E_RNA)
where:
Base-Base interactions energy: -17.222
where: short stacking energy: -17.222
Base-Backbone interact. energy: 0.911
local terms energy: -51.563315
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: 1.650
tors. eta vs tors. theta energy: 5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 282
Temperature: 2.433333
Total energy: -40.365255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.365255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.365255 (E_RNA)
where:
Base-Base interactions energy: -16.010
where: short stacking energy: -10.245
Base-Backbone interact. energy: 0.672
local terms energy: -25.027773
where:
bonds (distance) C4'-P energy: -6.785
bonds (distance) P-C4' energy: -10.269
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -4.798
tors. eta vs tors. theta energy: 13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 282
Temperature: 2.816667
Total energy: -35.513528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.513528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.513528 (E_RNA)
where:
Base-Base interactions energy: -7.049
where: short stacking energy: -6.938
Base-Backbone interact. energy: -0.932
local terms energy: -27.532842
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: 0.977
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: 7, replica: 9
=====================================
Write number: 282
Temperature: 3.200000
Total energy: -21.994107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.994107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.994107 (E_RNA)
where:
Base-Base interactions energy: -4.444
where: short stacking energy: 0.103
Base-Backbone interact. energy: 3.920
local terms energy: -21.469616
where:
bonds (distance) C4'-P energy: -9.326
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -3.328
tors. eta vs tors. theta energy: 13.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 282
Temperature: 3.583333
Total energy: -23.728758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.728758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.728758 (E_RNA)
where:
Base-Base interactions energy: 2.104
where: short stacking energy: -2.127
Base-Backbone interact. energy: -0.746
local terms energy: -25.087476
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -3.456
flat angles P-C4'-P energy: -1.115
tors. eta vs tors. theta energy: 15.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 3.966667
Total energy: -7.465405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.465405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.465405 (E_RNA)
where:
Base-Base interactions energy: -1.991
where: short stacking energy: -0.463
Base-Backbone interact. energy: -0.113
local terms energy: -5.361312
where:
bonds (distance) C4'-P energy: 1.843
bonds (distance) P-C4' energy: -7.549
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -0.465
tors. eta vs tors. theta energy: 11.940
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: 10
=====================================
Write number: 282
Temperature: 4.350000
Total energy: -11.320751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.320751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.320751 (E_RNA)
where:
Base-Base interactions energy: 0.581
where: short stacking energy: 2.146
Base-Backbone interact. energy: -1.186
local terms energy: -10.715921
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: 5.364
flat angles P-C4'-P energy: -4.751
tors. eta vs tors. theta energy: 18.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -391.271703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.271703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.271703 (E_RNA)
where:
Base-Base interactions energy: -265.422
where: short stacking energy: -122.045
Base-Backbone interact. energy: -0.647
local terms energy: -125.202541
where:
bonds (distance) C4'-P energy: -21.888
bonds (distance) P-C4' energy: -23.864
flat angles C4'-P-C4' energy: -28.724
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -34.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 283
Temperature: 1.283333
Total energy: -232.860767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.860767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.860767 (E_RNA)
where:
Base-Base interactions energy: -152.110
where: short stacking energy: -73.977
Base-Backbone interact. energy: 0.138
local terms energy: -80.888545
where:
bonds (distance) C4'-P energy: -22.487
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -10.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 283
Temperature: 1.666667
Total energy: -89.338606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.338606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.338606 (E_RNA)
where:
Base-Base interactions energy: -28.482
where: short stacking energy: -19.904
Base-Backbone interact. energy: -1.494
local terms energy: -59.362742
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: 2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 283
Temperature: 2.050000
Total energy: -63.606403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.606403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.606403 (E_RNA)
where:
Base-Base interactions energy: -11.055
where: short stacking energy: -6.292
Base-Backbone interact. energy: 0.381
local terms energy: -52.932956
where:
bonds (distance) C4'-P energy: -21.059
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -4.948
tors. eta vs tors. theta energy: 9.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 283
Temperature: 2.433333
Total energy: -48.425083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.425083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.425083 (E_RNA)
where:
Base-Base interactions energy: -6.401
where: short stacking energy: -6.764
Base-Backbone interact. energy: -0.614
local terms energy: -41.409904
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: 13.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 283
Temperature: 2.816667
Total energy: -33.726650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.726650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.726650 (E_RNA)
where:
Base-Base interactions energy: 1.706
where: short stacking energy: -0.342
Base-Backbone interact. energy: 3.476
local terms energy: -38.909313
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -10.276
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: 12.734
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: 7, replica: 5
=====================================
Write number: 283
Temperature: 3.200000
Total energy: -25.215575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.215575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.215575 (E_RNA)
where:
Base-Base interactions energy: -3.506
where: short stacking energy: -1.409
Base-Backbone interact. energy: 0.239
local terms energy: -21.948693
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -4.768
flat angles P-C4'-P energy: 4.383
tors. eta vs tors. theta energy: 8.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 283
Temperature: 3.583333
Total energy: -15.076043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.076043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.076043 (E_RNA)
where:
Base-Base interactions energy: 3.037
where: short stacking energy: -0.229
Base-Backbone interact. energy: 0.878
local terms energy: -18.990629
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -3.329
flat angles P-C4'-P energy: -2.358
tors. eta vs tors. theta energy: 16.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 283
Temperature: 3.966667
Total energy: -5.814065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.814065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.814065 (E_RNA)
where:
Base-Base interactions energy: -4.842
where: short stacking energy: -3.472
Base-Backbone interact. energy: 5.437
local terms energy: -6.408997
where:
bonds (distance) C4'-P energy: -9.123
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -0.847
flat angles P-C4'-P energy: -4.452
tors. eta vs tors. theta energy: 19.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 283
Temperature: 4.350000
Total energy: 1.749170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.749170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.749170 (E_RNA)
where:
Base-Base interactions energy: -1.386
where: short stacking energy: 0.462
Base-Backbone interact. energy: 4.807
local terms energy: -1.672423
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: 2.345
flat angles P-C4'-P energy: 5.829
tors. eta vs tors. theta energy: 16.291
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: 1
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -394.844487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.844487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.844487 (E_RNA)
where:
Base-Base interactions energy: -266.210
where: short stacking energy: -106.524
Base-Backbone interact. energy: -2.172
local terms energy: -126.462942
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -27.751
flat angles C4'-P-C4' energy: -26.110
flat angles P-C4'-P energy: -19.247
tors. eta vs tors. theta energy: -30.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 1.283333
Total energy: -239.540458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.540458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.540458 (E_RNA)
where:
Base-Base interactions energy: -151.627
where: short stacking energy: -72.411
Base-Backbone interact. energy: 0.897
local terms energy: -88.810603
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -22.687
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -14.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 284
Temperature: 1.666667
Total energy: -84.705913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.705913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.705913 (E_RNA)
where:
Base-Base interactions energy: -27.391
where: short stacking energy: -24.134
Base-Backbone interact. energy: -1.874
local terms energy: -55.440534
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -9.149
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: 8.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 284
Temperature: 2.050000
Total energy: -59.165114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.165114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.165114 (E_RNA)
where:
Base-Base interactions energy: -12.012
where: short stacking energy: -11.612
Base-Backbone interact. energy: -0.362
local terms energy: -46.791411
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: 9.943
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: 9
=====================================
Write number: 284
Temperature: 2.433333
Total energy: -51.369070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.369070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.369070 (E_RNA)
where:
Base-Base interactions energy: -8.336
where: short stacking energy: -6.748
Base-Backbone interact. energy: 3.713
local terms energy: -46.746239
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -20.381
flat angles C4'-P-C4' energy: -8.248
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: 3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 2.816667
Total energy: -34.577182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.577182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.577182 (E_RNA)
where:
Base-Base interactions energy: -3.643
where: short stacking energy: -5.543
Base-Backbone interact. energy: 1.111
local terms energy: -32.045265
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -9.655
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: 16.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 284
Temperature: 3.200000
Total energy: -25.745110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.745110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.745110 (E_RNA)
where:
Base-Base interactions energy: -5.320
where: short stacking energy: -5.810
Base-Backbone interact. energy: 4.005
local terms energy: -24.430455
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -6.108
flat angles P-C4'-P energy: -2.928
tors. eta vs tors. theta energy: 22.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 284
Temperature: 3.583333
Total energy: -28.797406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.797406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.797406 (E_RNA)
where:
Base-Base interactions energy: -9.827
where: short stacking energy: -4.629
Base-Backbone interact. energy: 6.169
local terms energy: -25.138865
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -21.928
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: 6.955
tors. eta vs tors. theta energy: 13.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 284
Temperature: 3.966667
Total energy: -13.850091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.850091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.850091 (E_RNA)
where:
Base-Base interactions energy: -3.517
where: short stacking energy: -3.517
Base-Backbone interact. energy: 2.450
local terms energy: -12.783229
where:
bonds (distance) C4'-P energy: -23.877
bonds (distance) P-C4' energy: -9.927
flat angles C4'-P-C4' energy: -0.911
flat angles P-C4'-P energy: 7.441
tors. eta vs tors. theta energy: 14.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 284
Temperature: 4.350000
Total energy: 2.329471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 2.329471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 2.329471 (E_RNA)
where:
Base-Base interactions energy: -1.949
where: short stacking energy: -2.549
Base-Backbone interact. energy: -1.591
local terms energy: 5.869446
where:
bonds (distance) C4'-P energy: -9.439
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: 10.167
flat angles P-C4'-P energy: 4.181
tors. eta vs tors. theta energy: 14.840
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: 1
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -395.335549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.335549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.335549 (E_RNA)
where:
Base-Base interactions energy: -279.292
where: short stacking energy: -124.394
Base-Backbone interact. energy: -0.497
local terms energy: -115.546034
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -24.988
flat angles C4'-P-C4' energy: -24.862
flat angles P-C4'-P energy: -16.604
tors. eta vs tors. theta energy: -27.948
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: 2
=====================================
Write number: 285
Temperature: 1.283333
Total energy: -214.398683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.398683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.398683 (E_RNA)
where:
Base-Base interactions energy: -134.411
where: short stacking energy: -54.917
Base-Backbone interact. energy: 0.933
local terms energy: -80.920534
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -24.749
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -9.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 285
Temperature: 1.666667
Total energy: -95.374549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.374549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.374549 (E_RNA)
where:
Base-Base interactions energy: -37.192
where: short stacking energy: -34.856
Base-Backbone interact. energy: 1.897
local terms energy: -60.079721
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: 0.566
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: 4
=====================================
Write number: 285
Temperature: 2.050000
Total energy: -63.277664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.277664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.277664 (E_RNA)
where:
Base-Base interactions energy: -20.973
where: short stacking energy: -20.973
Base-Backbone interact. energy: -0.245
local terms energy: -42.060395
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: 9.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 285
Temperature: 2.433333
Total energy: -46.715411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.715411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.715411 (E_RNA)
where:
Base-Base interactions energy: -2.291
where: short stacking energy: -2.679
Base-Backbone interact. energy: -0.225
local terms energy: -44.199776
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: 6.986
tors. eta vs tors. theta energy: 12.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 2.816667
Total energy: -33.367336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.367336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.367336 (E_RNA)
where:
Base-Base interactions energy: -8.320
where: short stacking energy: -6.176
Base-Backbone interact. energy: -0.954
local terms energy: -24.092929
where:
bonds (distance) C4'-P energy: -7.569
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: 2.663
tors. eta vs tors. theta energy: 9.819
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: 5
=====================================
Write number: 285
Temperature: 3.200000
Total energy: -21.905807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.905807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.905807 (E_RNA)
where:
Base-Base interactions energy: -7.944
where: short stacking energy: -7.947
Base-Backbone interact. energy: -0.037
local terms energy: -13.924595
where:
bonds (distance) C4'-P energy: -2.177
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: 2.285
tors. eta vs tors. theta energy: 12.735
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: 10
=====================================
Write number: 285
Temperature: 3.583333
Total energy: -23.645268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.645268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.645268 (E_RNA)
where:
Base-Base interactions energy: -11.861
where: short stacking energy: -11.713
Base-Backbone interact. energy: 0.293
local terms energy: -12.077221
where:
bonds (distance) C4'-P energy: -7.932
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -3.233
flat angles P-C4'-P energy: -1.772
tors. eta vs tors. theta energy: 11.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 285
Temperature: 3.966667
Total energy: -12.251780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.251780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.251780 (E_RNA)
where:
Base-Base interactions energy: -7.950
where: short stacking energy: -4.222
Base-Backbone interact. energy: 4.144
local terms energy: -8.445373
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -7.870
flat angles C4'-P-C4' energy: -5.617
flat angles P-C4'-P energy: 2.068
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: 8
=====================================
Write number: 285
Temperature: 4.350000
Total energy: 0.852324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.852324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.852324 (E_RNA)
where:
Base-Base interactions energy: -5.931
where: short stacking energy: -0.072
Base-Backbone interact. energy: 6.364
local terms energy: 0.419586
where:
bonds (distance) C4'-P energy: -7.423
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: 0.294
flat angles P-C4'-P energy: 5.731
tors. eta vs tors. theta energy: 13.970
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: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -393.254474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.254474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.254474 (E_RNA)
where:
Base-Base interactions energy: -270.877
where: short stacking energy: -120.944
Base-Backbone interact. energy: -0.388
local terms energy: -121.989672
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -26.517
flat angles C4'-P-C4' energy: -25.927
flat angles P-C4'-P energy: -17.769
tors. eta vs tors. theta energy: -27.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 286
Temperature: 1.283333
Total energy: -208.862355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.862355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.862355 (E_RNA)
where:
Base-Base interactions energy: -126.848
where: short stacking energy: -78.741
Base-Backbone interact. energy: -0.780
local terms energy: -81.233793
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -23.723
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -15.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 286
Temperature: 1.666667
Total energy: -79.559182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.559182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.559182 (E_RNA)
where:
Base-Base interactions energy: -32.443
where: short stacking energy: -20.039
Base-Backbone interact. energy: 2.916
local terms energy: -50.032206
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -4.409
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: 9.655
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: 4
=====================================
Write number: 286
Temperature: 2.050000
Total energy: -68.984119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.984119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.984119 (E_RNA)
where:
Base-Base interactions energy: -16.985
where: short stacking energy: -16.119
Base-Backbone interact. energy: -0.196
local terms energy: -51.803372
where:
bonds (distance) C4'-P energy: -20.141
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -2.983
tors. eta vs tors. theta energy: 0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 286
Temperature: 2.433333
Total energy: -45.730019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.730019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.730019 (E_RNA)
where:
Base-Base interactions energy: -20.386
where: short stacking energy: -18.340
Base-Backbone interact. energy: 2.098
local terms energy: -27.441944
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -10.130
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: 0.612
tors. eta vs tors. theta energy: 7.854
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: 286
Temperature: 2.816667
Total energy: -36.171111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.171111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.171111 (E_RNA)
where:
Base-Base interactions energy: -14.199
where: short stacking energy: -14.199
Base-Backbone interact. energy: 0.843
local terms energy: -22.814873
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -7.783
flat angles C4'-P-C4' energy: 0.100
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: 5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 286
Temperature: 3.200000
Total energy: -24.458869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.458869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.458869 (E_RNA)
where:
Base-Base interactions energy: -8.279
where: short stacking energy: -7.233
Base-Backbone interact. energy: 3.378
local terms energy: -19.557276
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -10.015
flat angles C4'-P-C4' energy: -1.055
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: 14.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 286
Temperature: 3.583333
Total energy: -9.991084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.991084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.991084 (E_RNA)
where:
Base-Base interactions energy: 0.401
where: short stacking energy: 0.000
Base-Backbone interact. energy: 4.271
local terms energy: -14.662706
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -2.264
flat angles P-C4'-P energy: 2.394
tors. eta vs tors. theta energy: 15.297
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: 286
Temperature: 3.966667
Total energy: -7.729932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.729932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.729932 (E_RNA)
where:
Base-Base interactions energy: -2.613
where: short stacking energy: -2.613
Base-Backbone interact. energy: -0.361
local terms energy: -4.756509
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -3.851
flat angles P-C4'-P energy: 4.283
tors. eta vs tors. theta energy: 16.213
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: 7
=====================================
Write number: 286
Temperature: 4.350000
Total energy: -2.341120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.341120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.341120 (E_RNA)
where:
Base-Base interactions energy: -3.833
where: short stacking energy: 0.000
Base-Backbone interact. energy: 7.590
local terms energy: -6.098486
where:
bonds (distance) C4'-P energy: -5.352
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -5.727
flat angles P-C4'-P energy: -2.020
tors. eta vs tors. theta energy: 19.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -401.812333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.812333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.812333 (E_RNA)
where:
Base-Base interactions energy: -269.382
where: short stacking energy: -122.911
Base-Backbone interact. energy: -1.518
local terms energy: -130.912542
where:
bonds (distance) C4'-P energy: -27.018
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -27.216
flat angles P-C4'-P energy: -20.862
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: 2, replica: 2
=====================================
Write number: 287
Temperature: 1.283333
Total energy: -199.074485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.074485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.074485 (E_RNA)
where:
Base-Base interactions energy: -118.427
where: short stacking energy: -57.064
Base-Backbone interact. energy: -0.767
local terms energy: -79.880929
where:
bonds (distance) C4'-P energy: -23.850
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: -6.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 287
Temperature: 1.666667
Total energy: -91.036398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.036398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.036398 (E_RNA)
where:
Base-Base interactions energy: -34.578
where: short stacking energy: -27.934
Base-Backbone interact. energy: -0.454
local terms energy: -56.004279
where:
bonds (distance) C4'-P energy: -21.708
bonds (distance) P-C4' energy: -23.476
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: 1.688
tors. eta vs tors. theta energy: 2.390
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: 9
=====================================
Write number: 287
Temperature: 2.050000
Total energy: -62.558962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.558962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.558962 (E_RNA)
where:
Base-Base interactions energy: -20.480
where: short stacking energy: -19.838
Base-Backbone interact. energy: 0.309
local terms energy: -42.387787
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -20.665
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: 10.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 287
Temperature: 2.433333
Total energy: -51.013456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.013456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.013456 (E_RNA)
where:
Base-Base interactions energy: -12.286
where: short stacking energy: -12.286
Base-Backbone interact. energy: 2.470
local terms energy: -41.197500
where:
bonds (distance) C4'-P energy: -8.159
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: 9.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 2.816667
Total energy: -37.914596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.914596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.914596 (E_RNA)
where:
Base-Base interactions energy: -5.041
where: short stacking energy: -5.418
Base-Backbone interact. energy: -1.102
local terms energy: -31.771527
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -6.314
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: 13.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 287
Temperature: 3.200000
Total energy: -21.750988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.750988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.750988 (E_RNA)
where:
Base-Base interactions energy: -1.243
where: short stacking energy: -1.066
Base-Backbone interact. energy: -0.211
local terms energy: -20.296884
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: 1.962
tors. eta vs tors. theta energy: 13.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 287
Temperature: 3.583333
Total energy: -11.779683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.779683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.779683 (E_RNA)
where:
Base-Base interactions energy: -4.137
where: short stacking energy: -2.489
Base-Backbone interact. energy: 0.499
local terms energy: -8.141895
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: 4.293
flat angles P-C4'-P energy: -0.044
tors. eta vs tors. theta energy: 13.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 287
Temperature: 3.966667
Total energy: -18.873981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.873981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.873981 (E_RNA)
where:
Base-Base interactions energy: -3.940
where: short stacking energy: -3.517
Base-Backbone interact. energy: -0.171
local terms energy: -14.763236
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -3.837
tors. eta vs tors. theta energy: 22.135
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: 7
=====================================
Write number: 287
Temperature: 4.350000
Total energy: 1.432601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.432601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.432601 (E_RNA)
where:
Base-Base interactions energy: -3.031
where: short stacking energy: 0.745
Base-Backbone interact. energy: 0.326
local terms energy: 4.137742
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -10.310
flat angles C4'-P-C4' energy: 7.518
flat angles P-C4'-P energy: 0.260
tors. eta vs tors. theta energy: 18.856
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: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -389.957537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.957537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.957537 (E_RNA)
where:
Base-Base interactions energy: -266.737
where: short stacking energy: -116.273
Base-Backbone interact. energy: -0.124
local terms energy: -123.096718
where:
bonds (distance) C4'-P energy: -21.425
bonds (distance) P-C4' energy: -28.153
flat angles C4'-P-C4' energy: -26.510
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -30.658
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: 2
=====================================
Write number: 288
Temperature: 1.283333
Total energy: -202.699146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.699146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.699146 (E_RNA)
where:
Base-Base interactions energy: -113.164
where: short stacking energy: -56.786
Base-Backbone interact. energy: -0.373
local terms energy: -89.162025
where:
bonds (distance) C4'-P energy: -25.498
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -20.010
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -14.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 288
Temperature: 1.666667
Total energy: -80.894396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.894396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.894396 (E_RNA)
where:
Base-Base interactions energy: -29.225
where: short stacking energy: -28.990
Base-Backbone interact. energy: -0.157
local terms energy: -51.513032
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: 6.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 288
Temperature: 2.050000
Total energy: -62.783885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.783885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.783885 (E_RNA)
where:
Base-Base interactions energy: -23.054
where: short stacking energy: -23.027
Base-Backbone interact. energy: 2.318
local terms energy: -42.048097
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -9.000
flat angles P-C4'-P energy: -4.049
tors. eta vs tors. theta energy: 5.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 288
Temperature: 2.433333
Total energy: -46.265944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.265944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.265944 (E_RNA)
where:
Base-Base interactions energy: -7.112
where: short stacking energy: -3.422
Base-Backbone interact. energy: -0.749
local terms energy: -38.405098
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -5.224
flat angles P-C4'-P energy: -4.703
tors. eta vs tors. theta energy: 12.704
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: 288
Temperature: 2.816667
Total energy: -31.001493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.001493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.001493 (E_RNA)
where:
Base-Base interactions energy: -0.839
where: short stacking energy: -1.939
Base-Backbone interact. energy: -0.526
local terms energy: -29.636132
where:
bonds (distance) C4'-P energy: -7.055
bonds (distance) P-C4' energy: -8.791
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: 11.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 288
Temperature: 3.200000
Total energy: -26.466131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.466131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.466131 (E_RNA)
where:
Base-Base interactions energy: -3.209
where: short stacking energy: -2.207
Base-Backbone interact. energy: -0.882
local terms energy: -22.375539
where:
bonds (distance) C4'-P energy: -7.881
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -3.760
flat angles P-C4'-P energy: 0.494
tors. eta vs tors. theta energy: 7.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 288
Temperature: 3.583333
Total energy: -25.188521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.188521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.188521 (E_RNA)
where:
Base-Base interactions energy: -13.969
where: short stacking energy: -13.969
Base-Backbone interact. energy: 7.988
local terms energy: -19.207561
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -19.338
flat angles C4'-P-C4' energy: -0.681
flat angles P-C4'-P energy: -1.604
tors. eta vs tors. theta energy: 16.679
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: 9, replica: 7
=====================================
Write number: 288
Temperature: 3.966667
Total energy: -19.104265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.104265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.104265 (E_RNA)
where:
Base-Base interactions energy: -3.389
where: short stacking energy: -3.389
Base-Backbone interact. energy: 1.559
local terms energy: -17.274771
where:
bonds (distance) C4'-P energy: -24.069
bonds (distance) P-C4' energy: -4.648
flat angles C4'-P-C4' energy: -9.051
flat angles P-C4'-P energy: 3.588
tors. eta vs tors. theta energy: 16.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 288
Temperature: 4.350000
Total energy: -3.709045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.709045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.709045 (E_RNA)
where:
Base-Base interactions energy: -1.848
where: short stacking energy: -1.804
Base-Backbone interact. energy: 1.700
local terms energy: -3.560959
where:
bonds (distance) C4'-P energy: -8.936
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: 0.949
flat angles P-C4'-P energy: 3.390
tors. eta vs tors. theta energy: 15.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -389.740197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.740197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.740197 (E_RNA)
where:
Base-Base interactions energy: -261.828
where: short stacking energy: -124.055
Base-Backbone interact. energy: 0.158
local terms energy: -128.070110
where:
bonds (distance) C4'-P energy: -25.954
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -25.843
flat angles P-C4'-P energy: -16.481
tors. eta vs tors. theta energy: -35.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 289
Temperature: 1.283333
Total energy: -200.710772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.710772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.710772 (E_RNA)
where:
Base-Base interactions energy: -103.348
where: short stacking energy: -45.487
Base-Backbone interact. energy: 0.198
local terms energy: -97.560190
where:
bonds (distance) C4'-P energy: -24.619
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -23.112
flat angles P-C4'-P energy: -17.062
tors. eta vs tors. theta energy: -9.248
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: 6
=====================================
Write number: 289
Temperature: 1.666667
Total energy: -81.507387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.507387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.507387 (E_RNA)
where:
Base-Base interactions energy: -22.602
where: short stacking energy: -14.029
Base-Backbone interact. energy: -0.384
local terms energy: -58.521775
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -23.249
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: 6.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 289
Temperature: 2.050000
Total energy: -58.864963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.864963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.864963 (E_RNA)
where:
Base-Base interactions energy: -2.036
where: short stacking energy: 0.163
Base-Backbone interact. energy: 1.025
local terms energy: -57.853952
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: 5.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 289
Temperature: 2.433333
Total energy: -45.284612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.284612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.284612 (E_RNA)
where:
Base-Base interactions energy: -7.754
where: short stacking energy: -7.754
Base-Backbone interact. energy: 0.348
local terms energy: -37.878858
where:
bonds (distance) C4'-P energy: -8.480
bonds (distance) P-C4' energy: -26.470
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -2.334
tors. eta vs tors. theta energy: 15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 289
Temperature: 2.816667
Total energy: -44.485230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.485230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.485230 (E_RNA)
where:
Base-Base interactions energy: -2.444
where: short stacking energy: -2.444
Base-Backbone interact. energy: 2.673
local terms energy: -44.714577
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: 12.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 289
Temperature: 3.200000
Total energy: -26.642617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.642617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.642617 (E_RNA)
where:
Base-Base interactions energy: -3.564
where: short stacking energy: -3.380
Base-Backbone interact. energy: 5.461
local terms energy: -28.539263
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -2.480
tors. eta vs tors. theta energy: 17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 289
Temperature: 3.583333
Total energy: -20.612702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.612702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.612702 (E_RNA)
where:
Base-Base interactions energy: -3.245
where: short stacking energy: -2.304
Base-Backbone interact. energy: -0.134
local terms energy: -17.233789
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -0.060
flat angles P-C4'-P energy: 4.629
tors. eta vs tors. theta energy: 16.690
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: 289
Temperature: 3.966667
Total energy: -8.569443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.569443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.569443 (E_RNA)
where:
Base-Base interactions energy: -12.885
where: short stacking energy: -8.845
Base-Backbone interact. energy: -0.292
local terms energy: 4.607779
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -1.329
flat angles P-C4'-P energy: 11.197
tors. eta vs tors. theta energy: 13.629
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: 5
=====================================
Write number: 289
Temperature: 4.350000
Total energy: -2.512926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.512926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.512926 (E_RNA)
where:
Base-Base interactions energy: 0.460
where: short stacking energy: 4.447
Base-Backbone interact. energy: -1.049
local terms energy: -1.924367
where:
bonds (distance) C4'-P energy: -7.859
bonds (distance) P-C4' energy: -19.730
flat angles C4'-P-C4' energy: 1.749
flat angles P-C4'-P energy: 9.160
tors. eta vs tors. theta energy: 14.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -388.381454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.381454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.381454 (E_RNA)
where:
Base-Base interactions energy: -266.769
where: short stacking energy: -119.843
Base-Backbone interact. energy: -0.399
local terms energy: -121.214160
where:
bonds (distance) C4'-P energy: -24.800
bonds (distance) P-C4' energy: -24.757
flat angles C4'-P-C4' energy: -29.019
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -33.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 290
Temperature: 1.283333
Total energy: -193.474961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.474961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.474961 (E_RNA)
where:
Base-Base interactions energy: -110.069
where: short stacking energy: -64.431
Base-Backbone interact. energy: 1.577
local terms energy: -84.982562
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -23.595
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -11.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 290
Temperature: 1.666667
Total energy: -91.248933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.248933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.248933 (E_RNA)
where:
Base-Base interactions energy: -17.630
where: short stacking energy: -14.907
Base-Backbone interact. energy: -0.439
local terms energy: -73.180558
where:
bonds (distance) C4'-P energy: -21.999
bonds (distance) P-C4' energy: -27.399
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: 7.198
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: 9
=====================================
Write number: 290
Temperature: 2.050000
Total energy: -67.218860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.218860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.218860 (E_RNA)
where:
Base-Base interactions energy: -12.257
where: short stacking energy: -12.208
Base-Backbone interact. energy: -0.284
local terms energy: -54.678485
where:
bonds (distance) C4'-P energy: -18.953
bonds (distance) P-C4' energy: -24.646
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: 6.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 290
Temperature: 2.433333
Total energy: -50.324907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.324907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.324907 (E_RNA)
where:
Base-Base interactions energy: -10.543
where: short stacking energy: -10.543
Base-Backbone interact. energy: -0.395
local terms energy: -39.387214
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -4.524
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: 10.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 290
Temperature: 2.816667
Total energy: -30.606687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.606687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.606687 (E_RNA)
where:
Base-Base interactions energy: -7.027
where: short stacking energy: -5.210
Base-Backbone interact. energy: -0.445
local terms energy: -23.133997
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -2.324
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: 9.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 290
Temperature: 3.200000
Total energy: -27.198552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.198552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.198552 (E_RNA)
where:
Base-Base interactions energy: -11.766
where: short stacking energy: -11.199
Base-Backbone interact. energy: 2.492
local terms energy: -17.925095
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: 2.309
flat angles P-C4'-P energy: -2.428
tors. eta vs tors. theta energy: 12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 290
Temperature: 3.583333
Total energy: -13.989261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.989261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.989261 (E_RNA)
where:
Base-Base interactions energy: -9.020
where: short stacking energy: -6.899
Base-Backbone interact. energy: 1.118
local terms energy: -6.087206
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: 4.720
flat angles P-C4'-P energy: 9.720
tors. eta vs tors. theta energy: 11.399
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: 9, replica: 5
=====================================
Write number: 290
Temperature: 3.966667
Total energy: -13.439186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.439186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.439186 (E_RNA)
where:
Base-Base interactions energy: -3.982
where: short stacking energy: -0.150
Base-Backbone interact. energy: 4.760
local terms energy: -14.217412
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: 4.267
tors. eta vs tors. theta energy: 14.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 290
Temperature: 4.350000
Total energy: -0.219418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.219418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.219418 (E_RNA)
where:
Base-Base interactions energy: 2.030
where: short stacking energy: 0.000
Base-Backbone interact. energy: 1.521
local terms energy: -3.769636
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -9.390
flat angles C4'-P-C4' energy: -1.398
flat angles P-C4'-P energy: 3.090
tors. eta vs tors. theta energy: 17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -378.290815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.290815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.290815 (E_RNA)
where:
Base-Base interactions energy: -253.202
where: short stacking energy: -122.580
Base-Backbone interact. energy: -1.176
local terms energy: -123.913119
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -27.776
flat angles C4'-P-C4' energy: -25.465
flat angles P-C4'-P energy: -17.314
tors. eta vs tors. theta energy: -31.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 291
Temperature: 1.283333
Total energy: -193.232779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.232779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.232779 (E_RNA)
where:
Base-Base interactions energy: -111.879
where: short stacking energy: -70.996
Base-Backbone interact. energy: -0.174
local terms energy: -81.179748
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 291
Temperature: 1.666667
Total energy: -76.374912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.374912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.374912 (E_RNA)
where:
Base-Base interactions energy: -20.270
where: short stacking energy: -17.496
Base-Backbone interact. energy: -0.248
local terms energy: -55.856493
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: 8.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 291
Temperature: 2.050000
Total energy: -62.738313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.738313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.738313 (E_RNA)
where:
Base-Base interactions energy: -20.437
where: short stacking energy: -19.391
Base-Backbone interact. energy: -0.227
local terms energy: -42.073653
where:
bonds (distance) C4'-P energy: -4.234
bonds (distance) P-C4' energy: -22.494
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: 8.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 291
Temperature: 2.433333
Total energy: -51.656589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.656589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.656589 (E_RNA)
where:
Base-Base interactions energy: -12.958
where: short stacking energy: -12.022
Base-Backbone interact. energy: 4.123
local terms energy: -42.821901
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -9.216
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: 8.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 2.816667
Total energy: -34.193533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.193533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.193533 (E_RNA)
where:
Base-Base interactions energy: -4.514
where: short stacking energy: -4.514
Base-Backbone interact. energy: 3.060
local terms energy: -32.739597
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -8.049
flat angles P-C4'-P energy: -4.364
tors. eta vs tors. theta energy: 6.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 291
Temperature: 3.200000
Total energy: -26.932432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.932432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.932432 (E_RNA)
where:
Base-Base interactions energy: -3.203
where: short stacking energy: -1.801
Base-Backbone interact. energy: 0.261
local terms energy: -23.990768
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -20.229
flat angles C4'-P-C4' energy: -4.594
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: 24.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 291
Temperature: 3.583333
Total energy: -18.951690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.951690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.951690 (E_RNA)
where:
Base-Base interactions energy: -6.784
where: short stacking energy: -8.484
Base-Backbone interact. energy: 6.834
local terms energy: -19.001395
where:
bonds (distance) C4'-P energy: -7.153
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: 3.079
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: 11.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 291
Temperature: 3.966667
Total energy: -5.170435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.170435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.170435 (E_RNA)
where:
Base-Base interactions energy: -2.474
where: short stacking energy: -1.639
Base-Backbone interact. energy: 0.424
local terms energy: -3.120682
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -25.107
flat angles C4'-P-C4' energy: 18.171
flat angles P-C4'-P energy: -0.988
tors. eta vs tors. theta energy: 15.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 291
Temperature: 4.350000
Total energy: -8.181909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.181909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.181909 (E_RNA)
where:
Base-Base interactions energy: -3.324
where: short stacking energy: -2.429
Base-Backbone interact. energy: -0.356
local terms energy: -4.501634
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -6.510
flat angles C4'-P-C4' energy: -0.136
flat angles P-C4'-P energy: -1.271
tors. eta vs tors. theta energy: 14.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -383.459519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.459519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.459519 (E_RNA)
where:
Base-Base interactions energy: -252.285
where: short stacking energy: -115.510
Base-Backbone interact. energy: -0.239
local terms energy: -130.935140
where:
bonds (distance) C4'-P energy: -27.086
bonds (distance) P-C4' energy: -25.542
flat angles C4'-P-C4' energy: -24.678
flat angles P-C4'-P energy: -18.068
tors. eta vs tors. theta energy: -35.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 1.283333
Total energy: -211.347675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.347675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.347675 (E_RNA)
where:
Base-Base interactions energy: -122.266
where: short stacking energy: -58.579
Base-Backbone interact. energy: -0.563
local terms energy: -88.518522
where:
bonds (distance) C4'-P energy: -25.594
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -14.224
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: 292
Temperature: 1.666667
Total energy: -87.520177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.520177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.520177 (E_RNA)
where:
Base-Base interactions energy: -32.805
where: short stacking energy: -29.032
Base-Backbone interact. energy: 0.311
local terms energy: -55.026357
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: 10.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 292
Temperature: 2.050000
Total energy: -81.876089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.876089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.876089 (E_RNA)
where:
Base-Base interactions energy: -29.446
where: short stacking energy: -28.502
Base-Backbone interact. energy: -0.320
local terms energy: -52.109404
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: 5.424
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: 5, replica: 10
=====================================
Write number: 292
Temperature: 2.433333
Total energy: -57.201911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.201911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.201911 (E_RNA)
where:
Base-Base interactions energy: -17.404
where: short stacking energy: -17.404
Base-Backbone interact. energy: -0.353
local terms energy: -39.444561
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -19.015
flat angles C4'-P-C4' energy: -4.754
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: 11.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 292
Temperature: 2.816667
Total energy: -38.086986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.086986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.086986 (E_RNA)
where:
Base-Base interactions energy: -10.405
where: short stacking energy: -9.020
Base-Backbone interact. energy: 1.726
local terms energy: -29.407657
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -0.692
tors. eta vs tors. theta energy: 10.540
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: 7, replica: 3
=====================================
Write number: 292
Temperature: 3.200000
Total energy: -35.637836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.637836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.637836 (E_RNA)
where:
Base-Base interactions energy: -11.207
where: short stacking energy: -10.067
Base-Backbone interact. energy: 2.905
local terms energy: -27.335829
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -11.283
flat angles C4'-P-C4' energy: -8.433
flat angles P-C4'-P energy: -0.163
tors. eta vs tors. theta energy: 7.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 292
Temperature: 3.583333
Total energy: -12.089592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.089592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.089592 (E_RNA)
where:
Base-Base interactions energy: -1.374
where: short stacking energy: -1.965
Base-Backbone interact. energy: -0.206
local terms energy: -10.509682
where:
bonds (distance) C4'-P energy: -5.968
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -2.084
flat angles P-C4'-P energy: -0.753
tors. eta vs tors. theta energy: 13.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 292
Temperature: 3.966667
Total energy: -19.124194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.124194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.124194 (E_RNA)
where:
Base-Base interactions energy: -0.345
where: short stacking energy: -2.995
Base-Backbone interact. energy: -1.129
local terms energy: -17.650004
where:
bonds (distance) C4'-P energy: -7.756
bonds (distance) P-C4' energy: -23.646
flat angles C4'-P-C4' energy: -4.402
flat angles P-C4'-P energy: 2.109
tors. eta vs tors. theta energy: 16.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 292
Temperature: 4.350000
Total energy: -11.925546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.925546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.925546 (E_RNA)
where:
Base-Base interactions energy: -5.805
where: short stacking energy: -5.476
Base-Backbone interact. energy: 1.335
local terms energy: -7.454708
where:
bonds (distance) C4'-P energy: -3.489
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -1.662
flat angles P-C4'-P energy: -3.720
tors. eta vs tors. theta energy: 17.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -383.470524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.470524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.470524 (E_RNA)
where:
Base-Base interactions energy: -251.871
where: short stacking energy: -116.661
Base-Backbone interact. energy: -0.106
local terms energy: -131.493310
where:
bonds (distance) C4'-P energy: -25.757
bonds (distance) P-C4' energy: -27.132
flat angles C4'-P-C4' energy: -28.792
flat angles P-C4'-P energy: -18.851
tors. eta vs tors. theta energy: -30.961
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: 2
=====================================
Write number: 293
Temperature: 1.283333
Total energy: -203.712208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.712208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.712208 (E_RNA)
where:
Base-Base interactions energy: -128.016
where: short stacking energy: -65.947
Base-Backbone interact. energy: -0.112
local terms energy: -75.584473
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 293
Temperature: 1.666667
Total energy: -88.458218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.458218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.458218 (E_RNA)
where:
Base-Base interactions energy: -19.253
where: short stacking energy: -19.253
Base-Backbone interact. energy: 4.125
local terms energy: -73.330280
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: 2.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 293
Temperature: 2.050000
Total energy: -56.455030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.455030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.455030 (E_RNA)
where:
Base-Base interactions energy: -26.003
where: short stacking energy: -20.837
Base-Backbone interact. energy: 6.137
local terms energy: -36.588399
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -2.710
tors. eta vs tors. theta energy: 15.539
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: 6
=====================================
Write number: 293
Temperature: 2.433333
Total energy: -55.984852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.984852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.984852 (E_RNA)
where:
Base-Base interactions energy: -13.686
where: short stacking energy: -14.086
Base-Backbone interact. energy: -0.271
local terms energy: -42.027004
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -3.332
tors. eta vs tors. theta energy: 7.815
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: 3
=====================================
Write number: 293
Temperature: 2.816667
Total energy: -38.704568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.704568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.704568 (E_RNA)
where:
Base-Base interactions energy: -8.150
where: short stacking energy: -5.832
Base-Backbone interact. energy: 0.853
local terms energy: -31.407079
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -1.234
tors. eta vs tors. theta energy: 11.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 293
Temperature: 3.200000
Total energy: -34.191994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.191994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.191994 (E_RNA)
where:
Base-Base interactions energy: -7.741
where: short stacking energy: -6.838
Base-Backbone interact. energy: 2.005
local terms energy: -28.455490
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -5.598
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: 20.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 293
Temperature: 3.583333
Total energy: -13.218778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.218778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.218778 (E_RNA)
where:
Base-Base interactions energy: -9.938
where: short stacking energy: -9.018
Base-Backbone interact. energy: 3.190
local terms energy: -6.471258
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: 3.423
flat angles P-C4'-P energy: 13.766
tors. eta vs tors. theta energy: 12.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 293
Temperature: 3.966667
Total energy: -5.870865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.870865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.870865 (E_RNA)
where:
Base-Base interactions energy: -4.498
where: short stacking energy: -0.972
Base-Backbone interact. energy: -0.182
local terms energy: -1.191107
where:
bonds (distance) C4'-P energy: -12.300
bonds (distance) P-C4' energy: -6.610
flat angles C4'-P-C4' energy: 4.852
flat angles P-C4'-P energy: -0.085
tors. eta vs tors. theta energy: 12.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 293
Temperature: 4.350000
Total energy: -1.831379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.831379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.831379 (E_RNA)
where:
Base-Base interactions energy: 1.056
where: short stacking energy: 0.600
Base-Backbone interact. energy: -0.183
local terms energy: -2.704527
where:
bonds (distance) C4'-P energy: -17.750
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: 12.170
flat angles P-C4'-P energy: -0.742
tors. eta vs tors. theta energy: 16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -377.170109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.170109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.170109 (E_RNA)
where:
Base-Base interactions energy: -253.288
where: short stacking energy: -117.780
Base-Backbone interact. energy: -0.264
local terms energy: -123.618421
where:
bonds (distance) C4'-P energy: -24.785
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -18.494
tors. eta vs tors. theta energy: -31.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 294
Temperature: 1.283333
Total energy: -192.631617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.631617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.631617 (E_RNA)
where:
Base-Base interactions energy: -106.505
where: short stacking energy: -64.552
Base-Backbone interact. energy: -1.973
local terms energy: -84.152816
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -23.818
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -13.152
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: 10
=====================================
Write number: 294
Temperature: 1.666667
Total energy: -82.945574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.945574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.945574 (E_RNA)
where:
Base-Base interactions energy: -24.041
where: short stacking energy: -16.260
Base-Backbone interact. energy: -0.475
local terms energy: -58.429556
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -25.569
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: 10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 294
Temperature: 2.050000
Total energy: -65.468424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.468424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.468424 (E_RNA)
where:
Base-Base interactions energy: -20.689
where: short stacking energy: -15.287
Base-Backbone interact. energy: 0.713
local terms energy: -45.492880
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: 3.064
tors. eta vs tors. theta energy: 1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 294
Temperature: 2.433333
Total energy: -42.863437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.863437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.863437 (E_RNA)
where:
Base-Base interactions energy: -5.334
where: short stacking energy: -2.064
Base-Backbone interact. energy: -0.479
local terms energy: -37.050300
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -1.486
flat angles P-C4'-P energy: -11.167
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: 6, replica: 3
=====================================
Write number: 294
Temperature: 2.816667
Total energy: -27.195058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.195058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.195058 (E_RNA)
where:
Base-Base interactions energy: -9.254
where: short stacking energy: -4.639
Base-Backbone interact. energy: -0.307
local terms energy: -17.634626
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -8.408
flat angles C4'-P-C4' energy: 0.370
flat angles P-C4'-P energy: -3.092
tors. eta vs tors. theta energy: 7.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 294
Temperature: 3.200000
Total energy: -23.825473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.825473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.825473 (E_RNA)
where:
Base-Base interactions energy: -8.556
where: short stacking energy: -6.639
Base-Backbone interact. energy: 1.617
local terms energy: -16.886117
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -8.439
flat angles C4'-P-C4' energy: -8.890
flat angles P-C4'-P energy: 2.337
tors. eta vs tors. theta energy: 10.683
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: 4
=====================================
Write number: 294
Temperature: 3.583333
Total energy: -17.998369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.998369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.998369 (E_RNA)
where:
Base-Base interactions energy: -2.030
where: short stacking energy: -2.030
Base-Backbone interact. energy: 9.522
local terms energy: -25.490115
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -23.783
flat angles C4'-P-C4' energy: -4.985
flat angles P-C4'-P energy: 2.018
tors. eta vs tors. theta energy: 12.945
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: 9, replica: 5
=====================================
Write number: 294
Temperature: 3.966667
Total energy: -8.311740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.311740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.311740 (E_RNA)
where:
Base-Base interactions energy: -4.262
where: short stacking energy: -3.160
Base-Backbone interact. energy: 11.139
local terms energy: -15.188058
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -3.644
flat angles P-C4'-P energy: 2.780
tors. eta vs tors. theta energy: 13.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 294
Temperature: 4.350000
Total energy: -1.141219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.141219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.141219 (E_RNA)
where:
Base-Base interactions energy: -7.511
where: short stacking energy: -7.151
Base-Backbone interact. energy: 0.823
local terms energy: 5.546653
where:
bonds (distance) C4'-P energy: 3.873
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -2.012
flat angles P-C4'-P energy: 2.391
tors. eta vs tors. theta energy: 14.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -381.212315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.212315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.212315 (E_RNA)
where:
Base-Base interactions energy: -263.977
where: short stacking energy: -117.607
Base-Backbone interact. energy: -0.163
local terms energy: -117.072113
where:
bonds (distance) C4'-P energy: -23.437
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -24.441
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -34.395
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: 2
=====================================
Write number: 295
Temperature: 1.283333
Total energy: -180.442528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.442528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.442528 (E_RNA)
where:
Base-Base interactions energy: -99.354
where: short stacking energy: -49.439
Base-Backbone interact. energy: -0.574
local terms energy: -80.515370
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -26.164
flat angles C4'-P-C4' energy: -21.541
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -3.712
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: 10
=====================================
Write number: 295
Temperature: 1.666667
Total energy: -100.362351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.362351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.362351 (E_RNA)
where:
Base-Base interactions energy: -47.292
where: short stacking energy: -27.617
Base-Backbone interact. energy: -0.491
local terms energy: -52.579394
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -4.089
tors. eta vs tors. theta energy: 5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 295
Temperature: 2.050000
Total energy: -65.238322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.238322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.238322 (E_RNA)
where:
Base-Base interactions energy: -17.879
where: short stacking energy: -15.044
Base-Backbone interact. energy: -0.160
local terms energy: -47.198943
where:
bonds (distance) C4'-P energy: -6.578
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: 5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 295
Temperature: 2.433333
Total energy: -41.969950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.969950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.969950 (E_RNA)
where:
Base-Base interactions energy: -10.592
where: short stacking energy: -10.359
Base-Backbone interact. energy: 0.595
local terms energy: -31.973443
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: 17.760
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: 7
=====================================
Write number: 295
Temperature: 2.816667
Total energy: -36.022789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.022789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.022789 (E_RNA)
where:
Base-Base interactions energy: -8.421
where: short stacking energy: -8.521
Base-Backbone interact. energy: -0.951
local terms energy: -26.650663
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -8.937
flat angles P-C4'-P energy: 0.473
tors. eta vs tors. theta energy: 13.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 295
Temperature: 3.200000
Total energy: -26.744485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.744485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.744485 (E_RNA)
where:
Base-Base interactions energy: -4.965
where: short stacking energy: -4.965
Base-Backbone interact. energy: 5.296
local terms energy: -27.076371
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -6.422
flat angles P-C4'-P energy: 9.677
tors. eta vs tors. theta energy: 11.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 295
Temperature: 3.583333
Total energy: -20.321866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.321866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.321866 (E_RNA)
where:
Base-Base interactions energy: -7.656
where: short stacking energy: -5.427
Base-Backbone interact. energy: 5.507
local terms energy: -18.173171
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -8.861
flat angles C4'-P-C4' energy: -5.059
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: 23.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 295
Temperature: 3.966667
Total energy: -10.713306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.713306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.713306 (E_RNA)
where:
Base-Base interactions energy: -3.254
where: short stacking energy: 1.370
Base-Backbone interact. energy: 10.356
local terms energy: -17.815274
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -3.321
flat angles P-C4'-P energy: -1.516
tors. eta vs tors. theta energy: 18.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 295
Temperature: 4.350000
Total energy: -3.104092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.104092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.104092 (E_RNA)
where:
Base-Base interactions energy: -3.773
where: short stacking energy: 1.333
Base-Backbone interact. energy: 3.133
local terms energy: -2.464509
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -9.869
flat angles C4'-P-C4' energy: 0.975
flat angles P-C4'-P energy: 11.872
tors. eta vs tors. theta energy: 8.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -381.046859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.046859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.046859 (E_RNA)
where:
Base-Base interactions energy: -261.086
where: short stacking energy: -114.291
Base-Backbone interact. energy: -0.590
local terms energy: -119.371158
where:
bonds (distance) C4'-P energy: -21.607
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -16.154
tors. eta vs tors. theta energy: -33.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 296
Temperature: 1.283333
Total energy: -209.035478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.035478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.035478 (E_RNA)
where:
Base-Base interactions energy: -109.774
where: short stacking energy: -62.355
Base-Backbone interact. energy: 0.565
local terms energy: -99.826009
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -24.943
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -8.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 296
Temperature: 1.666667
Total energy: -92.247251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.247251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.247251 (E_RNA)
where:
Base-Base interactions energy: -22.005
where: short stacking energy: -21.388
Base-Backbone interact. energy: -0.296
local terms energy: -69.946727
where:
bonds (distance) C4'-P energy: -22.943
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -22.587
flat angles P-C4'-P energy: -4.466
tors. eta vs tors. theta energy: -0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 296
Temperature: 2.050000
Total energy: -75.032079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.032079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.032079 (E_RNA)
where:
Base-Base interactions energy: -15.211
where: short stacking energy: -13.452
Base-Backbone interact. energy: -0.190
local terms energy: -59.630935
where:
bonds (distance) C4'-P energy: -21.861
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: 7.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 296
Temperature: 2.433333
Total energy: -46.650988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.650988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.650988 (E_RNA)
where:
Base-Base interactions energy: -15.181
where: short stacking energy: -15.181
Base-Backbone interact. energy: -0.356
local terms energy: -31.113665
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -0.396
tors. eta vs tors. theta energy: 11.159
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: 6
=====================================
Write number: 296
Temperature: 2.816667
Total energy: -33.254098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.254098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.254098 (E_RNA)
where:
Base-Base interactions energy: -16.068
where: short stacking energy: -15.839
Base-Backbone interact. energy: -0.204
local terms energy: -16.982387
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: 0.347
flat angles P-C4'-P energy: 6.676
tors. eta vs tors. theta energy: 7.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 296
Temperature: 3.200000
Total energy: -26.115814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.115814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.115814 (E_RNA)
where:
Base-Base interactions energy: -11.207
where: short stacking energy: -6.141
Base-Backbone interact. energy: 5.659
local terms energy: -20.568239
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: 3.497
flat angles P-C4'-P energy: 3.167
tors. eta vs tors. theta energy: 10.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 296
Temperature: 3.583333
Total energy: -15.432866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.432866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.432866 (E_RNA)
where:
Base-Base interactions energy: -6.998
where: short stacking energy: -6.621
Base-Backbone interact. energy: -0.522
local terms energy: -7.912895
where:
bonds (distance) C4'-P energy: 1.995
bonds (distance) P-C4' energy: -9.938
flat angles C4'-P-C4' energy: -6.937
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: 14.928
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: 8
=====================================
Write number: 296
Temperature: 3.966667
Total energy: -2.952749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.952749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.952749 (E_RNA)
where:
Base-Base interactions energy: -6.454
where: short stacking energy: -7.219
Base-Backbone interact. energy: 1.040
local terms energy: 2.461714
where:
bonds (distance) C4'-P energy: -3.705
bonds (distance) P-C4' energy: -7.551
flat angles C4'-P-C4' energy: -4.836
flat angles P-C4'-P energy: -0.091
tors. eta vs tors. theta energy: 18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 296
Temperature: 4.350000
Total energy: 3.571984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 3.571984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 3.571984 (E_RNA)
where:
Base-Base interactions energy: -12.268
where: short stacking energy: -1.586
Base-Backbone interact. energy: 0.375
local terms energy: 15.465185
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -5.056
flat angles C4'-P-C4' energy: 11.638
flat angles P-C4'-P energy: 8.624
tors. eta vs tors. theta energy: 15.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -380.401370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.401370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.401370 (E_RNA)
where:
Base-Base interactions energy: -254.656
where: short stacking energy: -116.205
Base-Backbone interact. energy: -0.233
local terms energy: -125.512113
where:
bonds (distance) C4'-P energy: -23.025
bonds (distance) P-C4' energy: -22.092
flat angles C4'-P-C4' energy: -27.645
flat angles P-C4'-P energy: -18.650
tors. eta vs tors. theta energy: -34.100
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: 2
=====================================
Write number: 297
Temperature: 1.283333
Total energy: -223.411231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.411231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.411231 (E_RNA)
where:
Base-Base interactions energy: -128.590
where: short stacking energy: -79.140
Base-Backbone interact. energy: 1.208
local terms energy: -96.028701
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -24.646
flat angles P-C4'-P energy: -17.144
tors. eta vs tors. theta energy: -9.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 297
Temperature: 1.666667
Total energy: -79.795594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.795594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.795594 (E_RNA)
where:
Base-Base interactions energy: -22.610
where: short stacking energy: -16.483
Base-Backbone interact. energy: -0.655
local terms energy: -56.530509
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -18.317
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: 4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 297
Temperature: 2.050000
Total energy: -66.604674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.604674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.604674 (E_RNA)
where:
Base-Base interactions energy: -18.679
where: short stacking energy: -17.394
Base-Backbone interact. energy: 7.377
local terms energy: -55.302665
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: 2.570
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: 9
=====================================
Write number: 297
Temperature: 2.433333
Total energy: -54.934123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.934123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.934123 (E_RNA)
where:
Base-Base interactions energy: -11.202
where: short stacking energy: -8.596
Base-Backbone interact. energy: -0.662
local terms energy: -43.070535
where:
bonds (distance) C4'-P energy: -20.873
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -1.798
tors. eta vs tors. theta energy: 8.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 297
Temperature: 2.816667
Total energy: -31.772059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.772059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.772059 (E_RNA)
where:
Base-Base interactions energy: -7.981
where: short stacking energy: -7.481
Base-Backbone interact. energy: -0.706
local terms energy: -23.085011
where:
bonds (distance) C4'-P energy: -8.484
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -4.571
flat angles P-C4'-P energy: -4.572
tors. eta vs tors. theta energy: 12.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 297
Temperature: 3.200000
Total energy: -21.629941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.629941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.629941 (E_RNA)
where:
Base-Base interactions energy: -1.918
where: short stacking energy: -1.208
Base-Backbone interact. energy: 1.343
local terms energy: -21.054869
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -7.610
flat angles C4'-P-C4' energy: -9.482
flat angles P-C4'-P energy: -5.245
tors. eta vs tors. theta energy: 9.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 297
Temperature: 3.583333
Total energy: -29.327610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.327610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.327610 (E_RNA)
where:
Base-Base interactions energy: -14.222
where: short stacking energy: -13.536
Base-Backbone interact. energy: -0.762
local terms energy: -14.343719
where:
bonds (distance) C4'-P energy: -7.671
bonds (distance) P-C4' energy: -4.938
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: 0.538
tors. eta vs tors. theta energy: 15.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 297
Temperature: 3.966667
Total energy: -4.004584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.004584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.004584 (E_RNA)
where:
Base-Base interactions energy: -0.300
where: short stacking energy: -1.671
Base-Backbone interact. energy: 1.527
local terms energy: -5.231033
where:
bonds (distance) C4'-P energy: -8.244
bonds (distance) P-C4' energy: -8.195
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: 7.539
tors. eta vs tors. theta energy: 21.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 297
Temperature: 4.350000
Total energy: 6.765111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 6.765111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 6.765111 (E_RNA)
where:
Base-Base interactions energy: -0.506
where: short stacking energy: 0.100
Base-Backbone interact. energy: 0.491
local terms energy: 6.779472
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: 4.543
flat angles P-C4'-P energy: 11.481
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: 1, replica: 1
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -387.365162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.365162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.365162 (E_RNA)
where:
Base-Base interactions energy: -250.417
where: short stacking energy: -114.157
Base-Backbone interact. energy: -0.429
local terms energy: -136.519593
where:
bonds (distance) C4'-P energy: -27.656
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -27.653
flat angles P-C4'-P energy: -18.899
tors. eta vs tors. theta energy: -34.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 298
Temperature: 1.283333
Total energy: -225.066921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.066921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.066921 (E_RNA)
where:
Base-Base interactions energy: -152.488
where: short stacking energy: -61.679
Base-Backbone interact. energy: 1.516
local terms energy: -74.094715
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -5.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 298
Temperature: 1.666667
Total energy: -92.663082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.663082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.663082 (E_RNA)
where:
Base-Base interactions energy: -32.948
where: short stacking energy: -27.395
Base-Backbone interact. energy: 0.809
local terms energy: -60.524577
where:
bonds (distance) C4'-P energy: -19.504
bonds (distance) P-C4' energy: -19.810
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: 3.612
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: 7
=====================================
Write number: 298
Temperature: 2.050000
Total energy: -81.770560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.770560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.770560 (E_RNA)
where:
Base-Base interactions energy: -23.498
where: short stacking energy: -18.269
Base-Backbone interact. energy: -0.318
local terms energy: -57.953754
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -24.179
flat angles P-C4'-P energy: -1.601
tors. eta vs tors. theta energy: 8.061
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: 6
=====================================
Write number: 298
Temperature: 2.433333
Total energy: -45.292383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.292383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.292383 (E_RNA)
where:
Base-Base interactions energy: -9.355
where: short stacking energy: -10.355
Base-Backbone interact. energy: 2.846
local terms energy: -38.784065
where:
bonds (distance) C4'-P energy: -25.945
bonds (distance) P-C4' energy: -21.692
flat angles C4'-P-C4' energy: -0.814
flat angles P-C4'-P energy: 0.658
tors. eta vs tors. theta energy: 9.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 298
Temperature: 2.816667
Total energy: -37.541004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.541004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.541004 (E_RNA)
where:
Base-Base interactions energy: -8.579
where: short stacking energy: -8.579
Base-Backbone interact. energy: -0.012
local terms energy: -28.949390
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -3.463
flat angles P-C4'-P energy: -3.461
tors. eta vs tors. theta energy: 7.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 298
Temperature: 3.200000
Total energy: -26.021356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.021356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.021356 (E_RNA)
where:
Base-Base interactions energy: -10.930
where: short stacking energy: -9.985
Base-Backbone interact. energy: -0.582
local terms energy: -14.510175
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -9.272
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -0.952
tors. eta vs tors. theta energy: 20.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 298
Temperature: 3.583333
Total energy: -9.652629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.652629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.652629 (E_RNA)
where:
Base-Base interactions energy: -4.159
where: short stacking energy: -4.197
Base-Backbone interact. energy: 12.114
local terms energy: -17.607090
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -6.349
flat angles P-C4'-P energy: 2.399
tors. eta vs tors. theta energy: 14.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 298
Temperature: 3.966667
Total energy: -19.428063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.428063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.428063 (E_RNA)
where:
Base-Base interactions energy: -14.517
where: short stacking energy: -11.654
Base-Backbone interact. energy: 1.888
local terms energy: -6.798888
where:
bonds (distance) C4'-P energy: -8.005
bonds (distance) P-C4' energy: -19.137
flat angles C4'-P-C4' energy: 3.795
flat angles P-C4'-P energy: -2.293
tors. eta vs tors. theta energy: 18.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 298
Temperature: 4.350000
Total energy: -5.652573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.652573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.652573 (E_RNA)
where:
Base-Base interactions energy: -8.741
where: short stacking energy: -7.661
Base-Backbone interact. energy: 12.159
local terms energy: -9.070919
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -24.543
flat angles C4'-P-C4' energy: 5.482
flat angles P-C4'-P energy: 8.649
tors. eta vs tors. theta energy: 11.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -392.421273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.421273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.421273 (E_RNA)
where:
Base-Base interactions energy: -267.646
where: short stacking energy: -118.079
Base-Backbone interact. energy: -0.150
local terms energy: -124.625235
where:
bonds (distance) C4'-P energy: -23.892
bonds (distance) P-C4' energy: -24.701
flat angles C4'-P-C4' energy: -28.816
flat angles P-C4'-P energy: -16.552
tors. eta vs tors. theta energy: -30.664
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: 2
=====================================
Write number: 299
Temperature: 1.283333
Total energy: -222.929124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.929124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.929124 (E_RNA)
where:
Base-Base interactions energy: -144.754
where: short stacking energy: -72.611
Base-Backbone interact. energy: 3.638
local terms energy: -81.813188
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -21.717
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -13.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 299
Temperature: 1.666667
Total energy: -78.118370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.118370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.118370 (E_RNA)
where:
Base-Base interactions energy: -22.643
where: short stacking energy: -12.447
Base-Backbone interact. energy: 1.533
local terms energy: -57.007960
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -22.896
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: 7.006
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: 7
=====================================
Write number: 299
Temperature: 2.050000
Total energy: -61.631504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.631504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.631504 (E_RNA)
where:
Base-Base interactions energy: -17.218
where: short stacking energy: -16.843
Base-Backbone interact. energy: -0.855
local terms energy: -43.559013
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -4.446
tors. eta vs tors. theta energy: 9.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 299
Temperature: 2.433333
Total energy: -43.844673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.844673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.844673 (E_RNA)
where:
Base-Base interactions energy: -7.270
where: short stacking energy: -5.654
Base-Backbone interact. energy: -0.622
local terms energy: -35.952975
where:
bonds (distance) C4'-P energy: -8.222
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: 4.687
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: 9
=====================================
Write number: 299
Temperature: 2.816667
Total energy: -30.652960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.652960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.652960 (E_RNA)
where:
Base-Base interactions energy: -10.415
where: short stacking energy: -8.933
Base-Backbone interact. energy: 1.263
local terms energy: -21.501676
where:
bonds (distance) C4'-P energy: -3.602
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -5.579
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: 9.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 299
Temperature: 3.200000
Total energy: -19.545251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.545251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.545251 (E_RNA)
where:
Base-Base interactions energy: -1.488
where: short stacking energy: -1.488
Base-Backbone interact. energy: -0.510
local terms energy: -17.547099
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -4.752
flat angles C4'-P-C4' energy: -5.482
flat angles P-C4'-P energy: -3.234
tors. eta vs tors. theta energy: 17.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 299
Temperature: 3.583333
Total energy: -17.714595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.714595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.714595 (E_RNA)
where:
Base-Base interactions energy: -2.866
where: short stacking energy: -0.750
Base-Backbone interact. energy: 1.367
local terms energy: -16.215532
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -1.119
flat angles P-C4'-P energy: -3.551
tors. eta vs tors. theta energy: 21.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 299
Temperature: 3.966667
Total energy: -18.110961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.110961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.110961 (E_RNA)
where:
Base-Base interactions energy: -8.130
where: short stacking energy: -8.130
Base-Backbone interact. energy: 4.976
local terms energy: -14.957604
where:
bonds (distance) C4'-P energy: -8.495
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -6.375
flat angles P-C4'-P energy: 0.267
tors. eta vs tors. theta energy: 10.680
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: 8
=====================================
Write number: 299
Temperature: 4.350000
Total energy: -1.087212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.087212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.087212 (E_RNA)
where:
Base-Base interactions energy: -0.139
where: short stacking energy: -0.439
Base-Backbone interact. energy: 1.928
local terms energy: -2.876648
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: 3.265
flat angles P-C4'-P energy: 1.265
tors. eta vs tors. theta energy: 16.135
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: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -378.421645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.421645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.421645 (E_RNA)
where:
Base-Base interactions energy: -249.594
where: short stacking energy: -112.031
Base-Backbone interact. energy: 0.717
local terms energy: -129.545317
where:
bonds (distance) C4'-P energy: -24.069
bonds (distance) P-C4' energy: -26.637
flat angles C4'-P-C4' energy: -28.953
flat angles P-C4'-P energy: -20.628
tors. eta vs tors. theta energy: -29.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 1.283333
Total energy: -200.936023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.936023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.936023 (E_RNA)
where:
Base-Base interactions energy: -110.255
where: short stacking energy: -58.574
Base-Backbone interact. energy: -0.424
local terms energy: -90.257627
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -24.965
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -8.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 300
Temperature: 1.666667
Total energy: -81.869180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.869180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.869180 (E_RNA)
where:
Base-Base interactions energy: -20.135
where: short stacking energy: -20.135
Base-Backbone interact. energy: 4.077
local terms energy: -65.810862
where:
bonds (distance) C4'-P energy: -23.354
bonds (distance) P-C4' energy: -22.326
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: 9.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 300
Temperature: 2.050000
Total energy: -57.432201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.432201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.432201 (E_RNA)
where:
Base-Base interactions energy: -17.265
where: short stacking energy: -16.612
Base-Backbone interact. energy: -0.186
local terms energy: -39.980434
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -21.234
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: 7.865
tors. eta vs tors. theta energy: 12.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 300
Temperature: 2.433333
Total energy: -49.171736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.171736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.171736 (E_RNA)
where:
Base-Base interactions energy: -13.143
where: short stacking energy: -12.349
Base-Backbone interact. energy: 1.764
local terms energy: -37.793141
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -25.010
flat angles C4'-P-C4' energy: -6.778
flat angles P-C4'-P energy: 1.149
tors. eta vs tors. theta energy: 8.038
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: 6, replica: 6
=====================================
Write number: 300
Temperature: 2.816667
Total energy: -36.903947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.903947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.903947 (E_RNA)
where:
Base-Base interactions energy: -16.356
where: short stacking energy: -12.305
Base-Backbone interact. energy: 8.190
local terms energy: -28.738403
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -4.564
flat angles P-C4'-P energy: -5.579
tors. eta vs tors. theta energy: 12.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 300
Temperature: 3.200000
Total energy: -33.005023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.005023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.005023 (E_RNA)
where:
Base-Base interactions energy: -6.477
where: short stacking energy: -6.324
Base-Backbone interact. energy: 2.166
local terms energy: -28.694636
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -19.540
flat angles C4'-P-C4' energy: -2.720
flat angles P-C4'-P energy: 3.470
tors. eta vs tors. theta energy: 9.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 300
Temperature: 3.583333
Total energy: -21.933929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.933929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.933929 (E_RNA)
where:
Base-Base interactions energy: -3.361
where: short stacking energy: -6.161
Base-Backbone interact. energy: 3.832
local terms energy: -22.404671
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: 4.981
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: 13.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 300
Temperature: 3.966667
Total energy: -6.070507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.070507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.070507 (E_RNA)
where:
Base-Base interactions energy: -2.953
where: short stacking energy: -2.137
Base-Backbone interact. energy: 0.254
local terms energy: -3.371323
where:
bonds (distance) C4'-P energy: -5.364
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: 4.787
flat angles P-C4'-P energy: 1.299
tors. eta vs tors. theta energy: 15.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 300
Temperature: 4.350000
Total energy: 1.670502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.670502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.670502 (E_RNA)
where:
Base-Base interactions energy: -0.689
where: short stacking energy: -0.453
Base-Backbone interact. energy: 0.598
local terms energy: 1.761253
where:
bonds (distance) C4'-P energy: -1.012
bonds (distance) P-C4' energy: -3.448
flat angles C4'-P-C4' energy: -0.452
flat angles P-C4'-P energy: -5.545
tors. eta vs tors. theta energy: 12.218
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: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -385.015425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.015425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.015425 (E_RNA)
where:
Base-Base interactions energy: -258.269
where: short stacking energy: -120.581
Base-Backbone interact. energy: -0.795
local terms energy: -125.951987
where:
bonds (distance) C4'-P energy: -29.193
bonds (distance) P-C4' energy: -25.881
flat angles C4'-P-C4' energy: -24.088
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -30.553
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: 2, replica: 2
=====================================
Write number: 301
Temperature: 1.283333
Total energy: -188.737789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.737789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.737789 (E_RNA)
where:
Base-Base interactions energy: -106.246
where: short stacking energy: -47.990
Base-Backbone interact. energy: -2.849
local terms energy: -79.642468
where:
bonds (distance) C4'-P energy: -21.350
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -7.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.666667
Total energy: -79.227945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.227945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.227945 (E_RNA)
where:
Base-Base interactions energy: -24.078
where: short stacking energy: -14.246
Base-Backbone interact. energy: 5.187
local terms energy: -60.336640
where:
bonds (distance) C4'-P energy: -17.742
bonds (distance) P-C4' energy: -24.496
flat angles C4'-P-C4' energy: -9.158
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: 8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 301
Temperature: 2.050000
Total energy: -59.119892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.119892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.119892 (E_RNA)
where:
Base-Base interactions energy: -20.935
where: short stacking energy: -16.343
Base-Backbone interact. energy: -0.180
local terms energy: -38.005275
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -6.560
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -4.789
tors. eta vs tors. theta energy: 6.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 301
Temperature: 2.433333
Total energy: -47.433611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.433611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.433611 (E_RNA)
where:
Base-Base interactions energy: -6.620
where: short stacking energy: -6.620
Base-Backbone interact. energy: -0.033
local terms energy: -40.780512
where:
bonds (distance) C4'-P energy: -26.010
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -5.960
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: 16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 301
Temperature: 2.816667
Total energy: -33.565342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.565342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.565342 (E_RNA)
where:
Base-Base interactions energy: -10.890
where: short stacking energy: -8.962
Base-Backbone interact. energy: 1.031
local terms energy: -23.705828
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -4.427
flat angles P-C4'-P energy: 1.306
tors. eta vs tors. theta energy: 11.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 301
Temperature: 3.200000
Total energy: -22.290193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.290193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.290193 (E_RNA)
where:
Base-Base interactions energy: -17.153
where: short stacking energy: -6.565
Base-Backbone interact. energy: 1.248
local terms energy: -6.385006
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: 2.910
flat angles P-C4'-P energy: 0.598
tors. eta vs tors. theta energy: 10.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 301
Temperature: 3.583333
Total energy: -14.615619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.615619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.615619 (E_RNA)
where:
Base-Base interactions energy: -2.517
where: short stacking energy: -0.395
Base-Backbone interact. energy: 8.493
local terms energy: -20.591307
where:
bonds (distance) C4'-P energy: -7.818
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: 0.474
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: 14.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 301
Temperature: 3.966667
Total energy: -9.142036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.142036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.142036 (E_RNA)
where:
Base-Base interactions energy: -1.595
where: short stacking energy: -1.595
Base-Backbone interact. energy: 3.879
local terms energy: -11.426153
where:
bonds (distance) C4'-P energy: -4.568
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -1.250
flat angles P-C4'-P energy: -1.855
tors. eta vs tors. theta energy: 10.503
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: 3
=====================================
Write number: 301
Temperature: 4.350000
Total energy: -3.146548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.146548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.146548 (E_RNA)
where:
Base-Base interactions energy: -1.230
where: short stacking energy: 1.559
Base-Backbone interact. energy: 1.262
local terms energy: -3.178571
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -7.172
flat angles C4'-P-C4' energy: 0.505
flat angles P-C4'-P energy: -1.996
tors. eta vs tors. theta energy: 17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -388.953503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.953503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.953503 (E_RNA)
where:
Base-Base interactions energy: -271.068
where: short stacking energy: -112.363
Base-Backbone interact. energy: -0.698
local terms energy: -117.187960
where:
bonds (distance) C4'-P energy: -24.120
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -27.195
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -26.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 302
Temperature: 1.283333
Total energy: -212.882882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.882882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.882882 (E_RNA)
where:
Base-Base interactions energy: -128.275
where: short stacking energy: -62.598
Base-Backbone interact. energy: 3.340
local terms energy: -87.948078
where:
bonds (distance) C4'-P energy: -23.213
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -23.733
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -7.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 302
Temperature: 1.666667
Total energy: -91.140482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.140482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.140482 (E_RNA)
where:
Base-Base interactions energy: -30.187
where: short stacking energy: -24.370
Base-Backbone interact. energy: -0.301
local terms energy: -60.652542
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: 3.664
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: 9
=====================================
Write number: 302
Temperature: 2.050000
Total energy: -66.102058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.102058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.102058 (E_RNA)
where:
Base-Base interactions energy: -11.585
where: short stacking energy: -10.768
Base-Backbone interact. energy: -0.095
local terms energy: -54.421442
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -3.019
tors. eta vs tors. theta energy: 5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 2.433333
Total energy: -43.650973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.650973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.650973 (E_RNA)
where:
Base-Base interactions energy: -0.954
where: short stacking energy: 3.750
Base-Backbone interact. energy: -0.169
local terms energy: -42.527973
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -2.347
tors. eta vs tors. theta energy: 6.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 302
Temperature: 2.816667
Total energy: -35.127570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.127570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.127570 (E_RNA)
where:
Base-Base interactions energy: -5.798
where: short stacking energy: -3.579
Base-Backbone interact. energy: -0.494
local terms energy: -28.834999
where:
bonds (distance) C4'-P energy: -8.548
bonds (distance) P-C4' energy: -18.753
flat angles C4'-P-C4' energy: -8.224
flat angles P-C4'-P energy: 2.789
tors. eta vs tors. theta energy: 3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 302
Temperature: 3.200000
Total energy: -33.864052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.864052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.864052 (E_RNA)
where:
Base-Base interactions energy: -8.831
where: short stacking energy: -9.031
Base-Backbone interact. energy: -0.296
local terms energy: -24.736537
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -6.667
flat angles P-C4'-P energy: 7.259
tors. eta vs tors. theta energy: 10.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 302
Temperature: 3.583333
Total energy: -14.231232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.231232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.231232 (E_RNA)
where:
Base-Base interactions energy: -8.923
where: short stacking energy: -9.367
Base-Backbone interact. energy: -0.702
local terms energy: -4.606250
where:
bonds (distance) C4'-P energy: -5.116
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -0.541
flat angles P-C4'-P energy: 1.793
tors. eta vs tors. theta energy: 14.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 302
Temperature: 3.966667
Total energy: -2.675735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.675735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.675735 (E_RNA)
where:
Base-Base interactions energy: -7.524
where: short stacking energy: -5.096
Base-Backbone interact. energy: 0.853
local terms energy: 3.995177
where:
bonds (distance) C4'-P energy: -9.327
bonds (distance) P-C4' energy: -4.040
flat angles C4'-P-C4' energy: 3.382
flat angles P-C4'-P energy: -4.429
tors. eta vs tors. theta energy: 18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 302
Temperature: 4.350000
Total energy: -9.422478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.422478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.422478 (E_RNA)
where:
Base-Base interactions energy: -1.635
where: short stacking energy: 0.234
Base-Backbone interact. energy: -0.308
local terms energy: -7.479565
where:
bonds (distance) C4'-P energy: -18.523
bonds (distance) P-C4' energy: -10.013
flat angles C4'-P-C4' energy: 4.996
flat angles P-C4'-P energy: 0.550
tors. eta vs tors. theta energy: 15.509
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: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -392.736051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.736051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.736051 (E_RNA)
where:
Base-Base interactions energy: -263.800
where: short stacking energy: -117.403
Base-Backbone interact. energy: -0.237
local terms energy: -128.699781
where:
bonds (distance) C4'-P energy: -23.634
bonds (distance) P-C4' energy: -27.081
flat angles C4'-P-C4' energy: -24.450
flat angles P-C4'-P energy: -22.978
tors. eta vs tors. theta energy: -30.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 303
Temperature: 1.283333
Total energy: -233.340229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.340229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.340229 (E_RNA)
where:
Base-Base interactions energy: -135.118
where: short stacking energy: -62.535
Base-Backbone interact. energy: -0.123
local terms energy: -98.098857
where:
bonds (distance) C4'-P energy: -22.311
bonds (distance) P-C4' energy: -22.583
flat angles C4'-P-C4' energy: -21.655
flat angles P-C4'-P energy: -18.673
tors. eta vs tors. theta energy: -12.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 303
Temperature: 1.666667
Total energy: -90.214653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.214653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.214653 (E_RNA)
where:
Base-Base interactions energy: -32.398
where: short stacking energy: -26.078
Base-Backbone interact. energy: -0.869
local terms energy: -56.948377
where:
bonds (distance) C4'-P energy: -22.984
bonds (distance) P-C4' energy: -23.743
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: 0.390
tors. eta vs tors. theta energy: 4.661
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: 9
=====================================
Write number: 303
Temperature: 2.050000
Total energy: -58.109704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.109704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.109704 (E_RNA)
where:
Base-Base interactions energy: -11.984
where: short stacking energy: -16.900
Base-Backbone interact. energy: -0.870
local terms energy: -45.255630
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -4.790
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: 9.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 2.433333
Total energy: -54.803158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.803158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.803158 (E_RNA)
where:
Base-Base interactions energy: -4.312
where: short stacking energy: -3.289
Base-Backbone interact. energy: -0.495
local terms energy: -49.996824
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -19.269
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: 7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 303
Temperature: 2.816667
Total energy: -34.479183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.479183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.479183 (E_RNA)
where:
Base-Base interactions energy: 1.498
where: short stacking energy: 0.077
Base-Backbone interact. energy: 2.962
local terms energy: -38.939501
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -20.719
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: 14.718
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: 7, replica: 4
=====================================
Write number: 303
Temperature: 3.200000
Total energy: -31.844095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.844095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.844095 (E_RNA)
where:
Base-Base interactions energy: -4.402
where: short stacking energy: -2.645
Base-Backbone interact. energy: -0.720
local terms energy: -26.721394
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -5.547
flat angles P-C4'-P energy: -0.137
tors. eta vs tors. theta energy: 15.588
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: 8, replica: 3
=====================================
Write number: 303
Temperature: 3.583333
Total energy: -13.151849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.151849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.151849 (E_RNA)
where:
Base-Base interactions energy: -6.170
where: short stacking energy: -5.945
Base-Backbone interact. energy: 0.141
local terms energy: -7.123068
where:
bonds (distance) C4'-P energy: -8.853
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: 6.144
flat angles P-C4'-P energy: 0.055
tors. eta vs tors. theta energy: 8.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 303
Temperature: 3.966667
Total energy: -3.292028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.292028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.292028 (E_RNA)
where:
Base-Base interactions energy: -0.652
where: short stacking energy: -0.652
Base-Backbone interact. energy: 2.112
local terms energy: -4.751635
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -2.021
flat angles C4'-P-C4' energy: -2.379
flat angles P-C4'-P energy: -1.473
tors. eta vs tors. theta energy: 17.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 303
Temperature: 4.350000
Total energy: 1.629859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.629859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.629859 (E_RNA)
where:
Base-Base interactions energy: -13.567
where: short stacking energy: -11.184
Base-Backbone interact. energy: 2.530
local terms energy: 12.667102
where:
bonds (distance) C4'-P energy: -3.987
bonds (distance) P-C4' energy: -7.180
flat angles C4'-P-C4' energy: -8.998
flat angles P-C4'-P energy: 12.664
tors. eta vs tors. theta energy: 20.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -391.437763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.437763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.437763 (E_RNA)
where:
Base-Base interactions energy: -261.184
where: short stacking energy: -119.674
Base-Backbone interact. energy: -0.930
local terms energy: -129.323577
where:
bonds (distance) C4'-P energy: -24.382
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -29.376
flat angles P-C4'-P energy: -17.566
tors. eta vs tors. theta energy: -34.930
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: 304
Temperature: 1.283333
Total energy: -210.428310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.428310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.428310 (E_RNA)
where:
Base-Base interactions energy: -123.973
where: short stacking energy: -65.684
Base-Backbone interact. energy: -0.154
local terms energy: -86.301044
where:
bonds (distance) C4'-P energy: -25.117
bonds (distance) P-C4' energy: -22.406
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -8.058
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: 7
=====================================
Write number: 304
Temperature: 1.666667
Total energy: -98.080980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.080980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.080980 (E_RNA)
where:
Base-Base interactions energy: -31.314
where: short stacking energy: -31.308
Base-Backbone interact. energy: 1.815
local terms energy: -68.581606
where:
bonds (distance) C4'-P energy: -19.294
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -0.327
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: 9
=====================================
Write number: 304
Temperature: 2.050000
Total energy: -58.429331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.429331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.429331 (E_RNA)
where:
Base-Base interactions energy: -24.365
where: short stacking energy: -20.238
Base-Backbone interact. energy: -0.536
local terms energy: -33.528432
where:
bonds (distance) C4'-P energy: -6.461
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: 8.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 304
Temperature: 2.433333
Total energy: -57.471589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.471589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.471589 (E_RNA)
where:
Base-Base interactions energy: -15.831
where: short stacking energy: -12.428
Base-Backbone interact. energy: -0.265
local terms energy: -41.375913
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -3.706
tors. eta vs tors. theta energy: 9.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 304
Temperature: 2.816667
Total energy: -31.649313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.649313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.649313 (E_RNA)
where:
Base-Base interactions energy: -3.177
where: short stacking energy: -3.108
Base-Backbone interact. energy: 7.110
local terms energy: -35.582744
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -4.350
tors. eta vs tors. theta energy: 12.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 304
Temperature: 3.200000
Total energy: -33.681324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.681324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.681324 (E_RNA)
where:
Base-Base interactions energy: -8.710
where: short stacking energy: -9.210
Base-Backbone interact. energy: 2.852
local terms energy: -27.823197
where:
bonds (distance) C4'-P energy: -19.856
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -3.319
flat angles P-C4'-P energy: 1.013
tors. eta vs tors. theta energy: 13.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 304
Temperature: 3.583333
Total energy: -22.757557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.757557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.757557 (E_RNA)
where:
Base-Base interactions energy: -4.420
where: short stacking energy: -0.261
Base-Backbone interact. energy: -0.313
local terms energy: -18.025206
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -9.855
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -3.481
tors. eta vs tors. theta energy: 21.327
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: 8
=====================================
Write number: 304
Temperature: 3.966667
Total energy: -2.595974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.595974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.595974 (E_RNA)
where:
Base-Base interactions energy: -3.790
where: short stacking energy: -6.990
Base-Backbone interact. energy: 3.541
local terms energy: -2.347416
where:
bonds (distance) C4'-P energy: -1.508
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: 1.450
flat angles P-C4'-P energy: 0.870
tors. eta vs tors. theta energy: 12.686
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: 6
=====================================
Write number: 304
Temperature: 4.350000
Total energy: -6.726440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.726440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.726440 (E_RNA)
where:
Base-Base interactions energy: -4.996
where: short stacking energy: -4.450
Base-Backbone interact. energy: 0.970
local terms energy: -2.700114
where:
bonds (distance) C4'-P energy: -9.456
bonds (distance) P-C4' energy: -7.763
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: 6.564
tors. eta vs tors. theta energy: 19.214
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: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -384.930055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.930055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.930055 (E_RNA)
where:
Base-Base interactions energy: -254.809
where: short stacking energy: -123.346
Base-Backbone interact. energy: -0.231
local terms energy: -129.889954
where:
bonds (distance) C4'-P energy: -28.524
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -28.371
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -36.775
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: 2
=====================================
Write number: 305
Temperature: 1.283333
Total energy: -237.041216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.041216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.041216 (E_RNA)
where:
Base-Base interactions energy: -155.803
where: short stacking energy: -65.278
Base-Backbone interact. energy: -0.456
local terms energy: -80.782020
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -24.600
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -6.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 305
Temperature: 1.666667
Total energy: -93.939672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.939672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.939672 (E_RNA)
where:
Base-Base interactions energy: -34.029
where: short stacking energy: -22.870
Base-Backbone interact. energy: -0.577
local terms energy: -59.333046
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: 3.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 305
Temperature: 2.050000
Total energy: -58.113283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.113283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.113283 (E_RNA)
where:
Base-Base interactions energy: -11.550
where: short stacking energy: -11.550
Base-Backbone interact. energy: -0.547
local terms energy: -46.016702
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -4.256
tors. eta vs tors. theta energy: 8.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 305
Temperature: 2.433333
Total energy: -50.603897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.603897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.603897 (E_RNA)
where:
Base-Base interactions energy: -9.565
where: short stacking energy: -8.996
Base-Backbone interact. energy: -0.509
local terms energy: -40.529631
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -21.184
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: 2.614
tors. eta vs tors. theta energy: 8.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 305
Temperature: 2.816667
Total energy: -29.095671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.095671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.095671 (E_RNA)
where:
Base-Base interactions energy: -3.644
where: short stacking energy: -3.644
Base-Backbone interact. energy: -0.254
local terms energy: -25.197690
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -8.426
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -1.620
tors. eta vs tors. theta energy: 12.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 305
Temperature: 3.200000
Total energy: -21.880030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.880030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.880030 (E_RNA)
where:
Base-Base interactions energy: 1.104
where: short stacking energy: 1.104
Base-Backbone interact. energy: -0.358
local terms energy: -22.625583
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -8.311
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: 3.823
tors. eta vs tors. theta energy: 15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 305
Temperature: 3.583333
Total energy: -13.529952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.529952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.529952 (E_RNA)
where:
Base-Base interactions energy: -3.073
where: short stacking energy: -0.703
Base-Backbone interact. energy: 3.037
local terms energy: -13.493611
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: 2.939
flat angles P-C4'-P energy: -4.124
tors. eta vs tors. theta energy: 16.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 305
Temperature: 3.966667
Total energy: -12.435293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.435293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.435293 (E_RNA)
where:
Base-Base interactions energy: -4.634
where: short stacking energy: -4.505
Base-Backbone interact. energy: 3.308
local terms energy: -11.108786
where:
bonds (distance) C4'-P energy: -9.488
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -2.984
flat angles P-C4'-P energy: 0.013
tors. eta vs tors. theta energy: 14.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 305
Temperature: 4.350000
Total energy: 0.825935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.825935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.825935 (E_RNA)
where:
Base-Base interactions energy: -10.825
where: short stacking energy: -7.573
Base-Backbone interact. energy: -0.788
local terms energy: 12.439034
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -4.643
flat angles C4'-P-C4' energy: -2.273
flat angles P-C4'-P energy: 11.189
tors. eta vs tors. theta energy: 18.084
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: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -380.968762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.968762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.968762 (E_RNA)
where:
Base-Base interactions energy: -258.546
where: short stacking energy: -110.793
Base-Backbone interact. energy: -0.249
local terms energy: -122.173685
where:
bonds (distance) C4'-P energy: -24.755
bonds (distance) P-C4' energy: -26.496
flat angles C4'-P-C4' energy: -27.997
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -28.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 306
Temperature: 1.283333
Total energy: -214.491850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.491850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.491850 (E_RNA)
where:
Base-Base interactions energy: -132.524
where: short stacking energy: -55.354
Base-Backbone interact. energy: -0.114
local terms energy: -81.854667
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -21.255
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -5.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.666667
Total energy: -82.450644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.450644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.450644 (E_RNA)
where:
Base-Base interactions energy: -43.048
where: short stacking energy: -30.011
Base-Backbone interact. energy: -0.473
local terms energy: -38.930320
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -6.773
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: 1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 306
Temperature: 2.050000
Total energy: -70.663667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.663667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.663667 (E_RNA)
where:
Base-Base interactions energy: -24.376
where: short stacking energy: -22.749
Base-Backbone interact. energy: -0.488
local terms energy: -45.799871
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -22.763
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: 0.639
tors. eta vs tors. theta energy: 8.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 306
Temperature: 2.433333
Total energy: -50.493615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.493615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.493615 (E_RNA)
where:
Base-Base interactions energy: -11.069
where: short stacking energy: -9.272
Base-Backbone interact. energy: -0.208
local terms energy: -39.216758
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -3.005
tors. eta vs tors. theta energy: 5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 306
Temperature: 2.816667
Total energy: -41.016444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.016444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.016444 (E_RNA)
where:
Base-Base interactions energy: -14.667
where: short stacking energy: -12.748
Base-Backbone interact. energy: 2.821
local terms energy: -29.170490
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -8.708
flat angles C4'-P-C4' energy: -4.772
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: 11.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 306
Temperature: 3.200000
Total energy: -18.680768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.680768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.680768 (E_RNA)
where:
Base-Base interactions energy: -3.703
where: short stacking energy: -2.834
Base-Backbone interact. energy: 9.491
local terms energy: -24.468766
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: 4.616
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: 15.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 3.583333
Total energy: -36.961486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.961486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.961486 (E_RNA)
where:
Base-Base interactions energy: -4.420
where: short stacking energy: -2.541
Base-Backbone interact. energy: -0.884
local terms energy: -31.657821
where:
bonds (distance) C4'-P energy: -8.332
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -10.012
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: 6
=====================================
Write number: 306
Temperature: 3.966667
Total energy: -9.707880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.707880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.707880 (E_RNA)
where:
Base-Base interactions energy: 1.552
where: short stacking energy: 0.800
Base-Backbone interact. energy: 3.053
local terms energy: -14.313013
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -8.849
flat angles C4'-P-C4' energy: -2.636
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: 23.583
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: 4
=====================================
Write number: 306
Temperature: 4.350000
Total energy: -3.113648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.113648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.113648 (E_RNA)
where:
Base-Base interactions energy: -5.503
where: short stacking energy: -3.780
Base-Backbone interact. energy: -0.655
local terms energy: 3.044368
where:
bonds (distance) C4'-P energy: 0.787
bonds (distance) P-C4' energy: -8.504
flat angles C4'-P-C4' energy: 0.311
flat angles P-C4'-P energy: 0.857
tors. eta vs tors. theta energy: 9.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -379.187386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.187386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.187386 (E_RNA)
where:
Base-Base interactions energy: -245.557
where: short stacking energy: -110.004
Base-Backbone interact. energy: -2.202
local terms energy: -131.428762
where:
bonds (distance) C4'-P energy: -28.411
bonds (distance) P-C4' energy: -25.236
flat angles C4'-P-C4' energy: -26.166
flat angles P-C4'-P energy: -20.333
tors. eta vs tors. theta energy: -31.282
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: 2
=====================================
Write number: 307
Temperature: 1.283333
Total energy: -229.764149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.764149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.764149 (E_RNA)
where:
Base-Base interactions energy: -151.263
where: short stacking energy: -67.091
Base-Backbone interact. energy: -0.632
local terms energy: -77.868456
where:
bonds (distance) C4'-P energy: -22.483
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -21.177
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -8.619
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: 7
=====================================
Write number: 307
Temperature: 1.666667
Total energy: -90.098830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.098830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.098830 (E_RNA)
where:
Base-Base interactions energy: -20.065
where: short stacking energy: -16.141
Base-Backbone interact. energy: -0.078
local terms energy: -69.956136
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: 7.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 307
Temperature: 2.050000
Total energy: -69.834225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.834225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.834225 (E_RNA)
where:
Base-Base interactions energy: -22.005
where: short stacking energy: -19.673
Base-Backbone interact. energy: -0.763
local terms energy: -47.066172
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -22.830
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -3.174
tors. eta vs tors. theta energy: 10.321
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: 5, replica: 5
=====================================
Write number: 307
Temperature: 2.433333
Total energy: -49.495725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.495725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.495725 (E_RNA)
where:
Base-Base interactions energy: -17.518
where: short stacking energy: -17.192
Base-Backbone interact. energy: -0.271
local terms energy: -31.706353
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -7.419
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: 13.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 307
Temperature: 2.816667
Total energy: -34.036887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.036887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.036887 (E_RNA)
where:
Base-Base interactions energy: -1.569
where: short stacking energy: -1.346
Base-Backbone interact. energy: 1.157
local terms energy: -33.624720
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -2.361
tors. eta vs tors. theta energy: 14.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 3.200000
Total energy: -15.411474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.411474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.411474 (E_RNA)
where:
Base-Base interactions energy: -0.431
where: short stacking energy: 0.042
Base-Backbone interact. energy: 2.590
local terms energy: -17.570126
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: 1.609
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: 17.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 3.583333
Total energy: -14.741374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.741374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.741374 (E_RNA)
where:
Base-Base interactions energy: -13.829
where: short stacking energy: -12.989
Base-Backbone interact. energy: -1.535
local terms energy: 0.622352
where:
bonds (distance) C4'-P energy: 4.314
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -2.413
flat angles P-C4'-P energy: -0.374
tors. eta vs tors. theta energy: 14.720
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: 3
=====================================
Write number: 307
Temperature: 3.966667
Total energy: -15.131042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.131042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.131042 (E_RNA)
where:
Base-Base interactions energy: -7.011
where: short stacking energy: -7.711
Base-Backbone interact. energy: 6.478
local terms energy: -14.598435
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -9.162
flat angles C4'-P-C4' energy: -2.916
flat angles P-C4'-P energy: 2.719
tors. eta vs tors. theta energy: 12.529
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: 4
=====================================
Write number: 307
Temperature: 4.350000
Total energy: -7.093542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.093542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.093542 (E_RNA)
where:
Base-Base interactions energy: -4.218
where: short stacking energy: -4.319
Base-Backbone interact. energy: 0.992
local terms energy: -3.867716
where:
bonds (distance) C4'-P energy: -7.657
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: 1.861
flat angles P-C4'-P energy: 0.246
tors. eta vs tors. theta energy: 17.854
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: 308
Temperature: 0.900000
Total energy: -385.794645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.794645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.794645 (E_RNA)
where:
Base-Base interactions energy: -247.285
where: short stacking energy: -111.422
Base-Backbone interact. energy: -0.108
local terms energy: -138.402298
where:
bonds (distance) C4'-P energy: -26.315
bonds (distance) P-C4' energy: -30.856
flat angles C4'-P-C4' energy: -26.819
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -33.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 308
Temperature: 1.283333
Total energy: -235.285268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.285268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.285268 (E_RNA)
where:
Base-Base interactions energy: -147.184
where: short stacking energy: -63.888
Base-Backbone interact. energy: -0.881
local terms energy: -87.220092
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -21.893
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 308
Temperature: 1.666667
Total energy: -90.736422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.736422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.736422 (E_RNA)
where:
Base-Base interactions energy: -21.828
where: short stacking energy: -19.377
Base-Backbone interact. energy: -0.149
local terms energy: -68.759492
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: 3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 308
Temperature: 2.050000
Total energy: -58.928190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.928190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.928190 (E_RNA)
where:
Base-Base interactions energy: -17.998
where: short stacking energy: -13.432
Base-Backbone interact. energy: 1.114
local terms energy: -42.044534
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -2.559
tors. eta vs tors. theta energy: 10.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 308
Temperature: 2.433333
Total energy: -47.186544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.186544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.186544 (E_RNA)
where:
Base-Base interactions energy: -19.114
where: short stacking energy: -10.796
Base-Backbone interact. energy: 6.794
local terms energy: -34.865897
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -23.221
flat angles C4'-P-C4' energy: -1.245
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: 8.866
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: 308
Temperature: 2.816667
Total energy: -55.612377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.612377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.612377 (E_RNA)
where:
Base-Base interactions energy: -10.318
where: short stacking energy: -7.347
Base-Backbone interact. energy: -1.447
local terms energy: -43.847456
where:
bonds (distance) C4'-P energy: -17.202
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: 10.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 308
Temperature: 3.200000
Total energy: -24.767115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.767115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.767115 (E_RNA)
where:
Base-Base interactions energy: -4.933
where: short stacking energy: -1.910
Base-Backbone interact. energy: -0.913
local terms energy: -18.920836
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: 14.272
tors. eta vs tors. theta energy: 16.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 3.583333
Total energy: -20.214493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.214493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.214493 (E_RNA)
where:
Base-Base interactions energy: -1.695
where: short stacking energy: -2.195
Base-Backbone interact. energy: 1.844
local terms energy: -20.363952
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -7.418
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: 0.869
tors. eta vs tors. theta energy: 14.476
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: 4
=====================================
Write number: 308
Temperature: 3.966667
Total energy: -7.728860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.728860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.728860 (E_RNA)
where:
Base-Base interactions energy: 0.656
where: short stacking energy: -0.744
Base-Backbone interact. energy: -0.559
local terms energy: -7.826147
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -2.274
flat angles P-C4'-P energy: 0.880
tors. eta vs tors. theta energy: 15.549
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: 3
=====================================
Write number: 308
Temperature: 4.350000
Total energy: 2.693369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 2.693369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 2.693369 (E_RNA)
where:
Base-Base interactions energy: -5.466
where: short stacking energy: -4.797
Base-Backbone interact. energy: -1.437
local terms energy: 9.595767
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: 6.289
flat angles C4'-P-C4' energy: 4.948
flat angles P-C4'-P energy: 3.244
tors. eta vs tors. theta energy: 12.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -383.180506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.180506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.180506 (E_RNA)
where:
Base-Base interactions energy: -256.098
where: short stacking energy: -121.674
Base-Backbone interact. energy: -0.643
local terms energy: -126.439084
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -26.788
flat angles C4'-P-C4' energy: -27.033
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -34.482
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: 2
=====================================
Write number: 309
Temperature: 1.283333
Total energy: -232.192379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.192379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.192379 (E_RNA)
where:
Base-Base interactions energy: -149.586
where: short stacking energy: -65.482
Base-Backbone interact. energy: -1.356
local terms energy: -81.249970
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -27.188
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 309
Temperature: 1.666667
Total energy: -86.824995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.824995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.824995 (E_RNA)
where:
Base-Base interactions energy: -27.737
where: short stacking energy: -13.318
Base-Backbone interact. energy: 1.796
local terms energy: -60.884012
where:
bonds (distance) C4'-P energy: -21.955
bonds (distance) P-C4' energy: -22.326
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: 6.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 309
Temperature: 2.050000
Total energy: -62.204375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.204375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.204375 (E_RNA)
where:
Base-Base interactions energy: -14.232
where: short stacking energy: -11.377
Base-Backbone interact. energy: -0.507
local terms energy: -47.465289
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -10.607
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: 4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 309
Temperature: 2.433333
Total energy: -40.792409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.792409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.792409 (E_RNA)
where:
Base-Base interactions energy: -6.090
where: short stacking energy: -6.090
Base-Backbone interact. energy: 1.075
local terms energy: -35.777320
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -8.816
flat angles P-C4'-P energy: 3.783
tors. eta vs tors. theta energy: 7.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 309
Temperature: 2.816667
Total energy: -39.638719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.638719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.638719 (E_RNA)
where:
Base-Base interactions energy: -5.662
where: short stacking energy: 0.500
Base-Backbone interact. energy: 0.105
local terms energy: -34.082029
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: 3.459
tors. eta vs tors. theta energy: 17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 309
Temperature: 3.200000
Total energy: -29.723485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.723485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.723485 (E_RNA)
where:
Base-Base interactions energy: -5.014
where: short stacking energy: -4.507
Base-Backbone interact. energy: 0.305
local terms energy: -25.013662
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -4.956
flat angles P-C4'-P energy: -4.584
tors. eta vs tors. theta energy: 10.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 309
Temperature: 3.583333
Total energy: -7.357117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.357117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.357117 (E_RNA)
where:
Base-Base interactions energy: 1.558
where: short stacking energy: 4.126
Base-Backbone interact. energy: 1.137
local terms energy: -10.052096
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: 1.448
flat angles P-C4'-P energy: 1.662
tors. eta vs tors. theta energy: 13.595
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: 6
=====================================
Write number: 309
Temperature: 3.966667
Total energy: -5.886296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.886296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.886296 (E_RNA)
where:
Base-Base interactions energy: -6.208
where: short stacking energy: -6.208
Base-Backbone interact. energy: 2.961
local terms energy: -2.639247
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: 4.102
flat angles P-C4'-P energy: 9.676
tors. eta vs tors. theta energy: 9.173
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: 3
=====================================
Write number: 309
Temperature: 4.350000
Total energy: -18.882234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.882234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.882234 (E_RNA)
where:
Base-Base interactions energy: -4.590
where: short stacking energy: -3.201
Base-Backbone interact. energy: 0.531
local terms energy: -14.823790
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -10.343
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: 0.300
tors. eta vs tors. theta energy: 18.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -394.475607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.475607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.475607 (E_RNA)
where:
Base-Base interactions energy: -260.818
where: short stacking energy: -119.332
Base-Backbone interact. energy: -1.533
local terms energy: -132.124475
where:
bonds (distance) C4'-P energy: -23.278
bonds (distance) P-C4' energy: -26.781
flat angles C4'-P-C4' energy: -31.226
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -34.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 1.283333
Total energy: -238.605105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.605105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.605105 (E_RNA)
where:
Base-Base interactions energy: -160.161
where: short stacking energy: -73.397
Base-Backbone interact. energy: 0.716
local terms energy: -79.160408
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -21.949
flat angles C4'-P-C4' energy: -20.695
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -12.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 310
Temperature: 1.666667
Total energy: -82.926113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.926113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.926113 (E_RNA)
where:
Base-Base interactions energy: -50.251
where: short stacking energy: -25.684
Base-Backbone interact. energy: 5.708
local terms energy: -38.383672
where:
bonds (distance) C4'-P energy: -9.135
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: 7.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 310
Temperature: 2.050000
Total energy: -63.414933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.414933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.414933 (E_RNA)
where:
Base-Base interactions energy: -20.857
where: short stacking energy: -16.654
Base-Backbone interact. energy: -0.696
local terms energy: -41.862535
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -19.948
flat angles C4'-P-C4' energy: -1.321
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: 5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 310
Temperature: 2.433333
Total energy: -47.888181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.888181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.888181 (E_RNA)
where:
Base-Base interactions energy: -20.220
where: short stacking energy: -9.380
Base-Backbone interact. energy: -0.081
local terms energy: -27.587289
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -15.372
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: 1.158
tors. eta vs tors. theta energy: 16.246
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: 5
=====================================
Write number: 310
Temperature: 2.816667
Total energy: -33.269307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.269307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.269307 (E_RNA)
where:
Base-Base interactions energy: -24.883
where: short stacking energy: -10.134
Base-Backbone interact. energy: 2.160
local terms energy: -10.546782
where:
bonds (distance) C4'-P energy: -23.141
bonds (distance) P-C4' energy: -1.055
flat angles C4'-P-C4' energy: -7.389
flat angles P-C4'-P energy: 7.572
tors. eta vs tors. theta energy: 13.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 310
Temperature: 3.200000
Total energy: -25.153840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.153840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.153840 (E_RNA)
where:
Base-Base interactions energy: -3.318
where: short stacking energy: -3.550
Base-Backbone interact. energy: -0.444
local terms energy: -21.391763
where:
bonds (distance) C4'-P energy: -7.543
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -7.795
flat angles P-C4'-P energy: -4.153
tors. eta vs tors. theta energy: 12.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 310
Temperature: 3.583333
Total energy: -16.002252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.002252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.002252 (E_RNA)
where:
Base-Base interactions energy: -2.087
where: short stacking energy: -1.084
Base-Backbone interact. energy: 0.279
local terms energy: -14.193847
where:
bonds (distance) C4'-P energy: -7.814
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: 7.433
tors. eta vs tors. theta energy: 17.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 310
Temperature: 3.966667
Total energy: -21.113554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.113554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.113554 (E_RNA)
where:
Base-Base interactions energy: -3.885
where: short stacking energy: -2.111
Base-Backbone interact. energy: 3.523
local terms energy: -20.751568
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: 5.129
flat angles P-C4'-P energy: -1.292
tors. eta vs tors. theta energy: 12.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 4.350000
Total energy: -1.312437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.312437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.312437 (E_RNA)
where:
Base-Base interactions energy: -8.014
where: short stacking energy: -7.288
Base-Backbone interact. energy: 2.840
local terms energy: 3.861124
where:
bonds (distance) C4'-P energy: -4.408
bonds (distance) P-C4' energy: -8.034
flat angles C4'-P-C4' energy: -9.658
flat angles P-C4'-P energy: 5.392
tors. eta vs tors. theta energy: 20.570
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: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -388.060388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.060388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.060388 (E_RNA)
where:
Base-Base interactions energy: -268.559
where: short stacking energy: -117.096
Base-Backbone interact. energy: -0.278
local terms energy: -119.222629
where:
bonds (distance) C4'-P energy: -21.559
bonds (distance) P-C4' energy: -22.555
flat angles C4'-P-C4' energy: -26.296
flat angles P-C4'-P energy: -18.336
tors. eta vs tors. theta energy: -30.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 311
Temperature: 1.283333
Total energy: -239.654331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.654331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.654331 (E_RNA)
where:
Base-Base interactions energy: -149.688
where: short stacking energy: -67.484
Base-Backbone interact. energy: -0.123
local terms energy: -89.843883
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -11.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 311
Temperature: 1.666667
Total energy: -93.581185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.581185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.581185 (E_RNA)
where:
Base-Base interactions energy: -36.472
where: short stacking energy: -29.043
Base-Backbone interact. energy: 0.445
local terms energy: -57.554279
where:
bonds (distance) C4'-P energy: -20.307
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -7.810
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: 4, replica: 7
=====================================
Write number: 311
Temperature: 2.050000
Total energy: -79.113466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.113466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.113466 (E_RNA)
where:
Base-Base interactions energy: -32.532
where: short stacking energy: -22.555
Base-Backbone interact. energy: 1.388
local terms energy: -47.969544
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -0.433
tors. eta vs tors. theta energy: 9.334
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: 8
=====================================
Write number: 311
Temperature: 2.433333
Total energy: -47.276069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.276069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.276069 (E_RNA)
where:
Base-Base interactions energy: -7.783
where: short stacking energy: -4.822
Base-Backbone interact. energy: -0.253
local terms energy: -39.240819
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -1.598
tors. eta vs tors. theta energy: 6.573
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: 6, replica: 5
=====================================
Write number: 311
Temperature: 2.816667
Total energy: -27.674472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.674472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.674472 (E_RNA)
where:
Base-Base interactions energy: -15.878
where: short stacking energy: -8.236
Base-Backbone interact. energy: 3.321
local terms energy: -15.117275
where:
bonds (distance) C4'-P energy: -1.390
bonds (distance) P-C4' energy: -4.791
flat angles C4'-P-C4' energy: -8.227
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: 5.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 311
Temperature: 3.200000
Total energy: -23.391412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.391412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.391412 (E_RNA)
where:
Base-Base interactions energy: -7.599
where: short stacking energy: -4.951
Base-Backbone interact. energy: 1.737
local terms energy: -17.529046
where:
bonds (distance) C4'-P energy: -5.554
bonds (distance) P-C4' energy: -8.064
flat angles C4'-P-C4' energy: -7.308
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: 9.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 311
Temperature: 3.583333
Total energy: -25.953918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.953918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.953918 (E_RNA)
where:
Base-Base interactions energy: 1.061
where: short stacking energy: -0.318
Base-Backbone interact. energy: 4.653
local terms energy: -31.668041
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -4.161
tors. eta vs tors. theta energy: 10.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 311
Temperature: 3.966667
Total energy: -11.601250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.601250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.601250 (E_RNA)
where:
Base-Base interactions energy: -9.257
where: short stacking energy: -3.838
Base-Backbone interact. energy: 0.369
local terms energy: -2.713591
where:
bonds (distance) C4'-P energy: -6.777
bonds (distance) P-C4' energy: -4.667
flat angles C4'-P-C4' energy: -5.729
flat angles P-C4'-P energy: 0.527
tors. eta vs tors. theta energy: 13.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 311
Temperature: 4.350000
Total energy: 0.083807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.083807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.083807 (E_RNA)
where:
Base-Base interactions energy: -6.547
where: short stacking energy: -5.162
Base-Backbone interact. energy: -0.657
local terms energy: 7.288625
where:
bonds (distance) C4'-P energy: -9.434
bonds (distance) P-C4' energy: -9.108
flat angles C4'-P-C4' energy: 5.598
flat angles P-C4'-P energy: 6.923
tors. eta vs tors. theta energy: 13.310
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: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -383.053689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.053689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.053689 (E_RNA)
where:
Base-Base interactions energy: -251.840
where: short stacking energy: -110.341
Base-Backbone interact. energy: -0.309
local terms energy: -130.904286
where:
bonds (distance) C4'-P energy: -27.956
bonds (distance) P-C4' energy: -28.477
flat angles C4'-P-C4' energy: -26.672
flat angles P-C4'-P energy: -17.013
tors. eta vs tors. theta energy: -30.786
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: 2
=====================================
Write number: 312
Temperature: 1.283333
Total energy: -192.928901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.928901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.928901 (E_RNA)
where:
Base-Base interactions energy: -109.872
where: short stacking energy: -67.970
Base-Backbone interact. energy: -0.862
local terms energy: -82.195016
where:
bonds (distance) C4'-P energy: -21.988
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -13.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 312
Temperature: 1.666667
Total energy: -101.379624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.379624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.379624 (E_RNA)
where:
Base-Base interactions energy: -34.742
where: short stacking energy: -33.484
Base-Backbone interact. energy: -0.782
local terms energy: -65.855890
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -3.835
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: 9
=====================================
Write number: 312
Temperature: 2.050000
Total energy: -58.761443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.761443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.761443 (E_RNA)
where:
Base-Base interactions energy: -22.320
where: short stacking energy: -7.680
Base-Backbone interact. energy: 1.833
local terms energy: -38.274820
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: 14.889
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: 5
=====================================
Write number: 312
Temperature: 2.433333
Total energy: -50.843184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.843184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.843184 (E_RNA)
where:
Base-Base interactions energy: -14.413
where: short stacking energy: -15.313
Base-Backbone interact. energy: -0.206
local terms energy: -36.224248
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -18.078
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -2.290
tors. eta vs tors. theta energy: 8.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 312
Temperature: 2.816667
Total energy: -46.928345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.928345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.928345 (E_RNA)
where:
Base-Base interactions energy: -20.453
where: short stacking energy: -18.672
Base-Backbone interact. energy: -0.850
local terms energy: -25.624881
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -8.916
flat angles P-C4'-P energy: -1.840
tors. eta vs tors. theta energy: 9.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 312
Temperature: 3.200000
Total energy: -32.957237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.957237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.957237 (E_RNA)
where:
Base-Base interactions energy: -11.000
where: short stacking energy: -10.890
Base-Backbone interact. energy: -0.137
local terms energy: -21.819716
where:
bonds (distance) C4'-P energy: -7.776
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: 3.776
tors. eta vs tors. theta energy: 10.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 312
Temperature: 3.583333
Total energy: -17.084462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.084462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.084462 (E_RNA)
where:
Base-Base interactions energy: -3.971
where: short stacking energy: -3.264
Base-Backbone interact. energy: 0.842
local terms energy: -13.955884
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -7.508
flat angles C4'-P-C4' energy: -8.598
flat angles P-C4'-P energy: 2.455
tors. eta vs tors. theta energy: 16.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 3.966667
Total energy: -15.938997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.938997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.938997 (E_RNA)
where:
Base-Base interactions energy: -6.614
where: short stacking energy: -2.415
Base-Backbone interact. energy: -0.103
local terms energy: -9.221907
where:
bonds (distance) C4'-P energy: 1.450
bonds (distance) P-C4' energy: -10.442
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -2.296
tors. eta vs tors. theta energy: 14.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 312
Temperature: 4.350000
Total energy: 0.607443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.607443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.607443 (E_RNA)
where:
Base-Base interactions energy: 1.399
where: short stacking energy: 0.051
Base-Backbone interact. energy: 1.733
local terms energy: -2.524590
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: 5.880
flat angles P-C4'-P energy: 4.609
tors. eta vs tors. theta energy: 16.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -378.785846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.785846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.785846 (E_RNA)
where:
Base-Base interactions energy: -254.954
where: short stacking energy: -115.776
Base-Backbone interact. energy: -0.181
local terms energy: -123.651561
where:
bonds (distance) C4'-P energy: -19.604
bonds (distance) P-C4' energy: -27.605
flat angles C4'-P-C4' energy: -25.824
flat angles P-C4'-P energy: -15.745
tors. eta vs tors. theta energy: -34.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 313
Temperature: 1.283333
Total energy: -206.193732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.193732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.193732 (E_RNA)
where:
Base-Base interactions energy: -117.496
where: short stacking energy: -63.524
Base-Backbone interact. energy: -1.434
local terms energy: -87.263455
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -23.992
flat angles P-C4'-P energy: -19.307
tors. eta vs tors. theta energy: -11.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 313
Temperature: 1.666667
Total energy: -106.252818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.252818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.252818 (E_RNA)
where:
Base-Base interactions energy: -34.484
where: short stacking energy: -31.772
Base-Backbone interact. energy: -0.259
local terms energy: -71.509093
where:
bonds (distance) C4'-P energy: -22.181
bonds (distance) P-C4' energy: -25.210
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: 7.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 313
Temperature: 2.050000
Total energy: -62.898410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.898410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.898410 (E_RNA)
where:
Base-Base interactions energy: -26.225
where: short stacking energy: -10.669
Base-Backbone interact. energy: 2.616
local terms energy: -39.289619
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: 14.328
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: 9
=====================================
Write number: 313
Temperature: 2.433333
Total energy: -45.407112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.407112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.407112 (E_RNA)
where:
Base-Base interactions energy: -5.913
where: short stacking energy: -6.185
Base-Backbone interact. energy: 1.493
local terms energy: -40.987214
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: 11.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 313
Temperature: 2.816667
Total energy: -38.990168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.990168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.990168 (E_RNA)
where:
Base-Base interactions energy: -11.523
where: short stacking energy: -6.696
Base-Backbone interact. energy: 2.779
local terms energy: -30.245865
where:
bonds (distance) C4'-P energy: -22.408
bonds (distance) P-C4' energy: -5.064
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -4.985
tors. eta vs tors. theta energy: 13.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 313
Temperature: 3.200000
Total energy: -19.403448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.403448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.403448 (E_RNA)
where:
Base-Base interactions energy: -6.185
where: short stacking energy: -4.277
Base-Backbone interact. energy: 2.903
local terms energy: -16.121714
where:
bonds (distance) C4'-P energy: -3.358
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -3.981
flat angles P-C4'-P energy: 0.033
tors. eta vs tors. theta energy: 11.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 313
Temperature: 3.583333
Total energy: -22.137473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.137473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.137473 (E_RNA)
where:
Base-Base interactions energy: -9.302
where: short stacking energy: -8.059
Base-Backbone interact. energy: -0.428
local terms energy: -12.407379
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -5.002
flat angles P-C4'-P energy: 5.442
tors. eta vs tors. theta energy: 12.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 313
Temperature: 3.966667
Total energy: -13.075666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.075666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.075666 (E_RNA)
where:
Base-Base interactions energy: -3.989
where: short stacking energy: 0.000
Base-Backbone interact. energy: 3.307
local terms energy: -12.394228
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -3.425
flat angles P-C4'-P energy: 7.352
tors. eta vs tors. theta energy: 16.833
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: 10
=====================================
Write number: 313
Temperature: 4.350000
Total energy: -0.905750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.905750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.905750 (E_RNA)
where:
Base-Base interactions energy: -9.830
where: short stacking energy: -8.673
Base-Backbone interact. energy: 0.447
local terms energy: 8.476631
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: 5.993
flat angles C4'-P-C4' energy: -0.676
flat angles P-C4'-P energy: 5.852
tors. eta vs tors. theta energy: 13.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -389.320314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.320314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.320314 (E_RNA)
where:
Base-Base interactions energy: -265.271
where: short stacking energy: -127.970
Base-Backbone interact. energy: -0.036
local terms energy: -124.013384
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -21.531
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -18.507
tors. eta vs tors. theta energy: -36.101
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: 2
=====================================
Write number: 314
Temperature: 1.283333
Total energy: -223.480850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.480850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.480850 (E_RNA)
where:
Base-Base interactions energy: -136.762
where: short stacking energy: -58.832
Base-Backbone interact. energy: 0.450
local terms energy: -87.169113
where:
bonds (distance) C4'-P energy: -22.818
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -23.641
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 314
Temperature: 1.666667
Total energy: -97.512611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.512611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.512611 (E_RNA)
where:
Base-Base interactions energy: -40.195
where: short stacking energy: -30.313
Base-Backbone interact. energy: -0.187
local terms energy: -57.130993
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -24.498
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: 5.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 314
Temperature: 2.050000
Total energy: -65.490147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.490147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.490147 (E_RNA)
where:
Base-Base interactions energy: -18.487
where: short stacking energy: -18.032
Base-Backbone interact. energy: -0.140
local terms energy: -46.863375
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: 8.508
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: 9
=====================================
Write number: 314
Temperature: 2.433333
Total energy: -51.212011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.212011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.212011 (E_RNA)
where:
Base-Base interactions energy: -6.535
where: short stacking energy: -6.180
Base-Backbone interact. energy: -0.620
local terms energy: -44.056933
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -25.708
flat angles C4'-P-C4' energy: -10.151
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: 15.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 314
Temperature: 2.816667
Total energy: -25.689743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.689743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.689743 (E_RNA)
where:
Base-Base interactions energy: -4.984
where: short stacking energy: -1.365
Base-Backbone interact. energy: 0.263
local terms energy: -20.969132
where:
bonds (distance) C4'-P energy: -6.476
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -7.119
flat angles P-C4'-P energy: -2.646
tors. eta vs tors. theta energy: 13.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 314
Temperature: 3.200000
Total energy: -31.889156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.889156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.889156 (E_RNA)
where:
Base-Base interactions energy: -7.621
where: short stacking energy: -5.503
Base-Backbone interact. energy: 0.507
local terms energy: -24.775455
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: 0.134
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: 15.185
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: 8
=====================================
Write number: 314
Temperature: 3.583333
Total energy: -14.518913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.518913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.518913 (E_RNA)
where:
Base-Base interactions energy: -4.164
where: short stacking energy: -3.589
Base-Backbone interact. energy: 1.141
local terms energy: -11.495647
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -2.855
flat angles P-C4'-P energy: 3.557
tors. eta vs tors. theta energy: 13.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 314
Temperature: 3.966667
Total energy: -8.161171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.161171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.161171 (E_RNA)
where:
Base-Base interactions energy: 0.002
where: short stacking energy: 1.847
Base-Backbone interact. energy: 3.451
local terms energy: -11.614096
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -10.111
flat angles C4'-P-C4' energy: -3.042
flat angles P-C4'-P energy: -1.856
tors. eta vs tors. theta energy: 16.629
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: 10
=====================================
Write number: 314
Temperature: 4.350000
Total energy: 0.452710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.452710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.452710 (E_RNA)
where:
Base-Base interactions energy: -6.238
where: short stacking energy: -5.687
Base-Backbone interact. energy: -0.772
local terms energy: 7.462950
where:
bonds (distance) C4'-P energy: 1.105
bonds (distance) P-C4' energy: -7.043
flat angles C4'-P-C4' energy: -7.089
flat angles P-C4'-P energy: 2.821
tors. eta vs tors. theta energy: 17.670
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: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -386.332468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.332468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.332468 (E_RNA)
where:
Base-Base interactions energy: -257.249
where: short stacking energy: -112.353
Base-Backbone interact. energy: -0.126
local terms energy: -128.957049
where:
bonds (distance) C4'-P energy: -24.214
bonds (distance) P-C4' energy: -26.772
flat angles C4'-P-C4' energy: -29.299
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -32.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 1.283333
Total energy: -232.061519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.061519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.061519 (E_RNA)
where:
Base-Base interactions energy: -146.718
where: short stacking energy: -72.306
Base-Backbone interact. energy: -0.504
local terms energy: -84.839470
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -20.903
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -10.422
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: 7
=====================================
Write number: 315
Temperature: 1.666667
Total energy: -89.108148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.108148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.108148 (E_RNA)
where:
Base-Base interactions energy: -34.561
where: short stacking energy: -25.511
Base-Backbone interact. energy: 0.997
local terms energy: -55.544461
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: 13.505
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: 5
=====================================
Write number: 315
Temperature: 2.050000
Total energy: -70.053044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.053044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.053044 (E_RNA)
where:
Base-Base interactions energy: -28.083
where: short stacking energy: -16.631
Base-Backbone interact. energy: -0.426
local terms energy: -41.543462
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -8.762
flat angles P-C4'-P energy: -2.392
tors. eta vs tors. theta energy: 5.794
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: 5, replica: 9
=====================================
Write number: 315
Temperature: 2.433333
Total energy: -50.112801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.112801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.112801 (E_RNA)
where:
Base-Base interactions energy: -6.151
where: short stacking energy: -6.151
Base-Backbone interact. energy: -1.412
local terms energy: -42.549657
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: 8.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 315
Temperature: 2.816667
Total energy: -26.200720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.200720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.200720 (E_RNA)
where:
Base-Base interactions energy: -8.600
where: short stacking energy: -8.208
Base-Backbone interact. energy: -0.439
local terms energy: -17.162029
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -10.330
flat angles C4'-P-C4' energy: -0.881
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: 13.283
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: 7, replica: 3
=====================================
Write number: 315
Temperature: 3.200000
Total energy: -29.922876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.922876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.922876 (E_RNA)
where:
Base-Base interactions energy: -7.557
where: short stacking energy: -6.256
Base-Backbone interact. energy: -0.704
local terms energy: -21.662358
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: 2.541
flat angles P-C4'-P energy: -4.522
tors. eta vs tors. theta energy: 11.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 3.583333
Total energy: -10.882981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.882981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.882981 (E_RNA)
where:
Base-Base interactions energy: -4.758
where: short stacking energy: -1.063
Base-Backbone interact. energy: 3.113
local terms energy: -9.238228
where:
bonds (distance) C4'-P energy: -6.275
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -4.349
flat angles P-C4'-P energy: -3.250
tors. eta vs tors. theta energy: 9.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 315
Temperature: 3.966667
Total energy: -13.345801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.345801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.345801 (E_RNA)
where:
Base-Base interactions energy: -2.053
where: short stacking energy: -0.972
Base-Backbone interact. energy: 2.593
local terms energy: -13.885642
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -2.731
flat angles P-C4'-P energy: 1.576
tors. eta vs tors. theta energy: 16.252
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: 10
=====================================
Write number: 315
Temperature: 4.350000
Total energy: -9.628036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.628036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.628036 (E_RNA)
where:
Base-Base interactions energy: -11.929
where: short stacking energy: -8.445
Base-Backbone interact. energy: 10.058
local terms energy: -7.756360
where:
bonds (distance) C4'-P energy: -6.060
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -0.032
flat angles P-C4'-P energy: -3.884
tors. eta vs tors. theta energy: 14.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -378.863540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.863540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.863540 (E_RNA)
where:
Base-Base interactions energy: -254.118
where: short stacking energy: -111.075
Base-Backbone interact. energy: 0.875
local terms energy: -125.620587
where:
bonds (distance) C4'-P energy: -27.733
bonds (distance) P-C4' energy: -26.282
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -31.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 316
Temperature: 1.283333
Total energy: -233.690821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.690821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.690821 (E_RNA)
where:
Base-Base interactions energy: -137.977
where: short stacking energy: -64.633
Base-Backbone interact. energy: -0.133
local terms energy: -95.580480
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -24.325
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -14.765
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: 7
=====================================
Write number: 316
Temperature: 1.666667
Total energy: -91.102220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.102220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.102220 (E_RNA)
where:
Base-Base interactions energy: -38.163
where: short stacking energy: -29.541
Base-Backbone interact. energy: -0.459
local terms energy: -52.480125
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -8.073
flat angles P-C4'-P energy: -17.225
tors. eta vs tors. theta energy: 6.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 2.050000
Total energy: -68.506202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.506202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.506202 (E_RNA)
where:
Base-Base interactions energy: -19.003
where: short stacking energy: -19.003
Base-Backbone interact. energy: -0.498
local terms energy: -49.004692
where:
bonds (distance) C4'-P energy: -18.136
bonds (distance) P-C4' energy: -24.503
flat angles C4'-P-C4' energy: -7.996
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: 12.889
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: 6
=====================================
Write number: 316
Temperature: 2.433333
Total energy: -54.582159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.582159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.582159 (E_RNA)
where:
Base-Base interactions energy: -6.893
where: short stacking energy: -6.174
Base-Backbone interact. energy: -0.639
local terms energy: -47.050252
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: 12.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 316
Temperature: 2.816667
Total energy: -33.556633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.556633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.556633 (E_RNA)
where:
Base-Base interactions energy: -1.731
where: short stacking energy: -0.107
Base-Backbone interact. energy: 0.158
local terms energy: -31.983604
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -4.321
flat angles P-C4'-P energy: -5.671
tors. eta vs tors. theta energy: 16.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 316
Temperature: 3.200000
Total energy: -19.967452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.967452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.967452 (E_RNA)
where:
Base-Base interactions energy: -0.540
where: short stacking energy: -0.093
Base-Backbone interact. energy: 1.773
local terms energy: -21.200754
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -8.336
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: 3.491
tors. eta vs tors. theta energy: 9.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 316
Temperature: 3.583333
Total energy: -15.429496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.429496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.429496 (E_RNA)
where:
Base-Base interactions energy: -9.438
where: short stacking energy: -8.874
Base-Backbone interact. energy: -0.048
local terms energy: -5.943221
where:
bonds (distance) C4'-P energy: -7.641
bonds (distance) P-C4' energy: 0.212
flat angles C4'-P-C4' energy: -1.800
flat angles P-C4'-P energy: -2.024
tors. eta vs tors. theta energy: 5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 316
Temperature: 3.966667
Total energy: -20.175451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.175451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.175451 (E_RNA)
where:
Base-Base interactions energy: -2.412
where: short stacking energy: -0.310
Base-Backbone interact. energy: -1.121
local terms energy: -16.642099
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: 6.282
flat angles P-C4'-P energy: -0.078
tors. eta vs tors. theta energy: 11.359
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: 8
=====================================
Write number: 316
Temperature: 4.350000
Total energy: -6.225442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.225442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.225442 (E_RNA)
where:
Base-Base interactions energy: -3.791
where: short stacking energy: -3.791
Base-Backbone interact. energy: 0.468
local terms energy: -2.902454
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -4.054
flat angles P-C4'-P energy: 10.804
tors. eta vs tors. theta energy: 18.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -382.762698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.762698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.762698 (E_RNA)
where:
Base-Base interactions energy: -260.148
where: short stacking energy: -125.777
Base-Backbone interact. energy: -1.455
local terms energy: -121.159886
where:
bonds (distance) C4'-P energy: -22.431
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -30.579
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -37.698
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: 2
=====================================
Write number: 317
Temperature: 1.283333
Total energy: -241.362704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.362704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.362704 (E_RNA)
where:
Base-Base interactions energy: -148.123
where: short stacking energy: -68.190
Base-Backbone interact. energy: -0.195
local terms energy: -93.044244
where:
bonds (distance) C4'-P energy: -24.992
bonds (distance) P-C4' energy: -23.930
flat angles C4'-P-C4' energy: -20.834
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 317
Temperature: 1.666667
Total energy: -90.091283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.091283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.091283 (E_RNA)
where:
Base-Base interactions energy: -39.427
where: short stacking energy: -29.697
Base-Backbone interact. energy: -0.180
local terms energy: -50.484398
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -4.719
flat angles P-C4'-P energy: -15.793
tors. eta vs tors. theta energy: 8.789
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: 6
=====================================
Write number: 317
Temperature: 2.050000
Total energy: -62.032109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.032109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.032109 (E_RNA)
where:
Base-Base interactions energy: -15.163
where: short stacking energy: -13.158
Base-Backbone interact. energy: 0.188
local terms energy: -47.056739
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: 10.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 2.433333
Total energy: -49.059881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.059881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.059881 (E_RNA)
where:
Base-Base interactions energy: -17.021
where: short stacking energy: -15.880
Base-Backbone interact. energy: 2.871
local terms energy: -34.909270
where:
bonds (distance) C4'-P energy: -18.479
bonds (distance) P-C4' energy: -8.393
flat angles C4'-P-C4' energy: -7.333
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: 8.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 317
Temperature: 2.816667
Total energy: -41.415649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.415649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.415649 (E_RNA)
where:
Base-Base interactions energy: -4.558
where: short stacking energy: -4.051
Base-Backbone interact. energy: 3.768
local terms energy: -40.625483
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -20.116
flat angles C4'-P-C4' energy: -4.943
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: 4.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 317
Temperature: 3.200000
Total energy: -34.681904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.681904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.681904 (E_RNA)
where:
Base-Base interactions energy: -6.319
where: short stacking energy: -3.652
Base-Backbone interact. energy: 0.930
local terms energy: -29.292504
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -20.457
flat angles C4'-P-C4' energy: -8.988
flat angles P-C4'-P energy: -1.305
tors. eta vs tors. theta energy: 13.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 317
Temperature: 3.583333
Total energy: -23.135799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.135799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.135799 (E_RNA)
where:
Base-Base interactions energy: -7.586
where: short stacking energy: -4.640
Base-Backbone interact. energy: 1.637
local terms energy: -17.186690
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -5.461
flat angles C4'-P-C4' energy: -4.487
flat angles P-C4'-P energy: -2.611
tors. eta vs tors. theta energy: 11.478
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: 3
=====================================
Write number: 317
Temperature: 3.966667
Total energy: -8.400442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.400442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.400442 (E_RNA)
where:
Base-Base interactions energy: -8.715
where: short stacking energy: -8.852
Base-Backbone interact. energy: 4.520
local terms energy: -4.205472
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -3.474
flat angles P-C4'-P energy: 11.641
tors. eta vs tors. theta energy: 14.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 317
Temperature: 4.350000
Total energy: -2.195516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.195516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.195516 (E_RNA)
where:
Base-Base interactions energy: -2.651
where: short stacking energy: -1.479
Base-Backbone interact. energy: -0.734
local terms energy: 1.188650
where:
bonds (distance) C4'-P energy: -2.676
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -7.935
flat angles P-C4'-P energy: 7.615
tors. eta vs tors. theta energy: 17.667
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: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -387.184169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.184169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.184169 (E_RNA)
where:
Base-Base interactions energy: -253.794
where: short stacking energy: -130.827
Base-Backbone interact. energy: -0.398
local terms energy: -132.992637
where:
bonds (distance) C4'-P energy: -25.716
bonds (distance) P-C4' energy: -25.981
flat angles C4'-P-C4' energy: -27.059
flat angles P-C4'-P energy: -15.510
tors. eta vs tors. theta energy: -38.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 1.283333
Total energy: -242.592332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.592332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.592332 (E_RNA)
where:
Base-Base interactions energy: -152.193
where: short stacking energy: -73.475
Base-Backbone interact. energy: -0.649
local terms energy: -89.750534
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -22.305
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -17.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 318
Temperature: 1.666667
Total energy: -98.310143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.310143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.310143 (E_RNA)
where:
Base-Base interactions energy: -33.612
where: short stacking energy: -26.974
Base-Backbone interact. energy: 2.102
local terms energy: -66.800099
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -22.924
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: 0.667
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: 6
=====================================
Write number: 318
Temperature: 2.050000
Total energy: -66.360826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.360826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.360826 (E_RNA)
where:
Base-Base interactions energy: -18.349
where: short stacking energy: -16.566
Base-Backbone interact. energy: 0.252
local terms energy: -48.263473
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: 4.358
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: 4
=====================================
Write number: 318
Temperature: 2.433333
Total energy: -45.424216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.424216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.424216 (E_RNA)
where:
Base-Base interactions energy: -6.792
where: short stacking energy: -6.799
Base-Backbone interact. energy: -0.229
local terms energy: -38.403725
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -20.663
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: 15.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 318
Temperature: 2.816667
Total energy: -29.287301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.287301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.287301 (E_RNA)
where:
Base-Base interactions energy: -1.157
where: short stacking energy: 0.000
Base-Backbone interact. energy: 0.889
local terms energy: -29.019215
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -16.140
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: 1.459
tors. eta vs tors. theta energy: 12.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 318
Temperature: 3.200000
Total energy: -37.013869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.013869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.013869 (E_RNA)
where:
Base-Base interactions energy: -7.152
where: short stacking energy: -6.456
Base-Backbone interact. energy: 0.249
local terms energy: -30.110700
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: 21.371
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: 9
=====================================
Write number: 318
Temperature: 3.583333
Total energy: -17.955811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.955811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.955811 (E_RNA)
where:
Base-Base interactions energy: -6.026
where: short stacking energy: -4.770
Base-Backbone interact. energy: -0.876
local terms energy: -11.053839
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -8.908
flat angles C4'-P-C4' energy: -8.061
flat angles P-C4'-P energy: 7.628
tors. eta vs tors. theta energy: 16.788
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: 318
Temperature: 3.966667
Total energy: -11.259205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.259205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.259205 (E_RNA)
where:
Base-Base interactions energy: -2.398
where: short stacking energy: -1.602
Base-Backbone interact. energy: 2.524
local terms energy: -11.385259
where:
bonds (distance) C4'-P energy: 3.071
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -8.281
flat angles P-C4'-P energy: -1.102
tors. eta vs tors. theta energy: 17.849
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: 10, replica: 3
=====================================
Write number: 318
Temperature: 4.350000
Total energy: -7.973183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.973183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.973183 (E_RNA)
where:
Base-Base interactions energy: -0.246
where: short stacking energy: -0.086
Base-Backbone interact. energy: 0.729
local terms energy: -8.456351
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -1.850
flat angles C4'-P-C4' energy: -7.056
flat angles P-C4'-P energy: 0.023
tors. eta vs tors. theta energy: 18.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -389.700616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.700616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.700616 (E_RNA)
where:
Base-Base interactions energy: -261.611
where: short stacking energy: -126.414
Base-Backbone interact. energy: -0.009
local terms energy: -128.080281
where:
bonds (distance) C4'-P energy: -19.611
bonds (distance) P-C4' energy: -28.167
flat angles C4'-P-C4' energy: -26.031
flat angles P-C4'-P energy: -16.708
tors. eta vs tors. theta energy: -37.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 319
Temperature: 1.283333
Total energy: -228.385824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.385824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.385824 (E_RNA)
where:
Base-Base interactions energy: -143.633
where: short stacking energy: -62.209
Base-Backbone interact. energy: -0.159
local terms energy: -84.594427
where:
bonds (distance) C4'-P energy: -24.222
bonds (distance) P-C4' energy: -23.233
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 319
Temperature: 1.666667
Total energy: -109.815223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.815223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.815223 (E_RNA)
where:
Base-Base interactions energy: -62.751
where: short stacking energy: -34.355
Base-Backbone interact. energy: 0.903
local terms energy: -47.966644
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: 7.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 319
Temperature: 2.050000
Total energy: -60.548365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.548365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.548365 (E_RNA)
where:
Base-Base interactions energy: -16.385
where: short stacking energy: -11.619
Base-Backbone interact. energy: 0.054
local terms energy: -44.217528
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: 11.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 2.433333
Total energy: -51.006668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.006668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.006668 (E_RNA)
where:
Base-Base interactions energy: -13.039
where: short stacking energy: -7.684
Base-Backbone interact. energy: -0.691
local terms energy: -37.276765
where:
bonds (distance) C4'-P energy: -20.732
bonds (distance) P-C4' energy: -11.689
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -3.822
tors. eta vs tors. theta energy: 11.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 319
Temperature: 2.816667
Total energy: -39.864684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.864684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.864684 (E_RNA)
where:
Base-Base interactions energy: -15.108
where: short stacking energy: -14.860
Base-Backbone interact. energy: -0.315
local terms energy: -24.442283
where:
bonds (distance) C4'-P energy: -8.569
bonds (distance) P-C4' energy: -8.188
flat angles C4'-P-C4' energy: -2.985
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: 6.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 319
Temperature: 3.200000
Total energy: -20.753932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.753932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.753932 (E_RNA)
where:
Base-Base interactions energy: 2.447
where: short stacking energy: 5.409
Base-Backbone interact. energy: -0.096
local terms energy: -23.105131
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -4.865
flat angles P-C4'-P energy: 0.537
tors. eta vs tors. theta energy: 13.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 319
Temperature: 3.583333
Total energy: -20.722302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.722302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.722302 (E_RNA)
where:
Base-Base interactions energy: -8.849
where: short stacking energy: -9.980
Base-Backbone interact. energy: 12.468
local terms energy: -24.340557
where:
bonds (distance) C4'-P energy: -4.826
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -2.049
tors. eta vs tors. theta energy: 10.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 319
Temperature: 3.966667
Total energy: -9.919897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.919897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.919897 (E_RNA)
where:
Base-Base interactions energy: -5.067
where: short stacking energy: -1.876
Base-Backbone interact. energy: 1.184
local terms energy: -6.036978
where:
bonds (distance) C4'-P energy: -3.656
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -3.957
flat angles P-C4'-P energy: -2.627
tors. eta vs tors. theta energy: 16.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 319
Temperature: 4.350000
Total energy: -3.386554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.386554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.386554 (E_RNA)
where:
Base-Base interactions energy: -8.074
where: short stacking energy: -8.074
Base-Backbone interact. energy: -0.426
local terms energy: 5.113123
where:
bonds (distance) C4'-P energy: -9.037
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: 8.348
flat angles P-C4'-P energy: 3.644
tors. eta vs tors. theta energy: 16.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -386.956459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.956459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.956459 (E_RNA)
where:
Base-Base interactions energy: -259.068
where: short stacking energy: -120.042
Base-Backbone interact. energy: -1.839
local terms energy: -126.048685
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -24.908
flat angles C4'-P-C4' energy: -29.604
flat angles P-C4'-P energy: -15.653
tors. eta vs tors. theta energy: -32.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 320
Temperature: 1.283333
Total energy: -243.411528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.411528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.411528 (E_RNA)
where:
Base-Base interactions energy: -144.127
where: short stacking energy: -66.266
Base-Backbone interact. energy: -1.073
local terms energy: -98.211558
where:
bonds (distance) C4'-P energy: -22.309
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -21.880
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -17.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 320
Temperature: 1.666667
Total energy: -88.988141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.988141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.988141 (E_RNA)
where:
Base-Base interactions energy: -27.631
where: short stacking energy: -26.725
Base-Backbone interact. energy: -0.809
local terms energy: -60.547766
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -21.487
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: 3.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 320
Temperature: 2.050000
Total energy: -63.500419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.500419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.500419 (E_RNA)
where:
Base-Base interactions energy: -16.594
where: short stacking energy: -14.301
Base-Backbone interact. energy: 0.634
local terms energy: -47.540037
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -5.499
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: 10.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 320
Temperature: 2.433333
Total energy: -48.438864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.438864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.438864 (E_RNA)
where:
Base-Base interactions energy: -15.331
where: short stacking energy: -13.631
Base-Backbone interact. energy: 6.264
local terms energy: -39.371623
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: 2.031
tors. eta vs tors. theta energy: 11.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 320
Temperature: 2.816667
Total energy: -32.521486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.521486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.521486 (E_RNA)
where:
Base-Base interactions energy: -7.537
where: short stacking energy: -0.562
Base-Backbone interact. energy: 0.475
local terms energy: -25.459066
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -4.173
tors. eta vs tors. theta energy: 22.048
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: 8
=====================================
Write number: 320
Temperature: 3.200000
Total energy: -29.829157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.829157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.829157 (E_RNA)
where:
Base-Base interactions energy: -3.278
where: short stacking energy: -3.127
Base-Backbone interact. energy: 1.532
local terms energy: -28.083029
where:
bonds (distance) C4'-P energy: -8.299
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: 13.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 320
Temperature: 3.583333
Total energy: -19.287200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.287200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.287200 (E_RNA)
where:
Base-Base interactions energy: -5.641
where: short stacking energy: -4.116
Base-Backbone interact. energy: 5.728
local terms energy: -19.374772
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -4.560
flat angles C4'-P-C4' energy: -6.445
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: 10.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 320
Temperature: 3.966667
Total energy: -8.642960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.642960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.642960 (E_RNA)
where:
Base-Base interactions energy: -3.328
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.380
local terms energy: -4.935032
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: 2.335
flat angles P-C4'-P energy: -3.528
tors. eta vs tors. theta energy: 22.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 320
Temperature: 4.350000
Total energy: 0.663676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.663676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.663676 (E_RNA)
where:
Base-Base interactions energy: -3.029
where: short stacking energy: -0.094
Base-Backbone interact. energy: 2.101
local terms energy: 1.591828
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -9.059
flat angles C4'-P-C4' energy: -0.156
flat angles P-C4'-P energy: 1.264
tors. eta vs tors. theta energy: 19.575
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: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -387.364734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.364734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.364734 (E_RNA)
where:
Base-Base interactions energy: -255.169
where: short stacking energy: -118.126
Base-Backbone interact. energy: -0.661
local terms energy: -131.534598
where:
bonds (distance) C4'-P energy: -25.320
bonds (distance) P-C4' energy: -26.293
flat angles C4'-P-C4' energy: -26.860
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -38.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 321
Temperature: 1.283333
Total energy: -234.090194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.090194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.090194 (E_RNA)
where:
Base-Base interactions energy: -152.504
where: short stacking energy: -69.266
Base-Backbone interact. energy: -1.082
local terms energy: -80.504024
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -25.113
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -13.098
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: 6
=====================================
Write number: 321
Temperature: 1.666667
Total energy: -85.681556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.681556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.681556 (E_RNA)
where:
Base-Base interactions energy: -34.976
where: short stacking energy: -34.976
Base-Backbone interact. energy: -0.479
local terms energy: -50.227331
where:
bonds (distance) C4'-P energy: -22.704
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -4.395
tors. eta vs tors. theta energy: 9.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 321
Temperature: 2.050000
Total energy: -62.385063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.385063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.385063 (E_RNA)
where:
Base-Base interactions energy: -20.239
where: short stacking energy: -18.175
Base-Backbone interact. energy: -0.191
local terms energy: -41.954963
where:
bonds (distance) C4'-P energy: -7.795
bonds (distance) P-C4' energy: -9.328
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: 6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 321
Temperature: 2.433333
Total energy: -49.351007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.351007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.351007 (E_RNA)
where:
Base-Base interactions energy: -1.957
where: short stacking energy: -4.079
Base-Backbone interact. energy: 1.947
local terms energy: -49.340445
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -19.609
flat angles P-C4'-P energy: 0.571
tors. eta vs tors. theta energy: 8.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 321
Temperature: 2.816667
Total energy: -47.731793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.731793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.731793 (E_RNA)
where:
Base-Base interactions energy: -14.969
where: short stacking energy: -17.515
Base-Backbone interact. energy: 0.643
local terms energy: -33.405874
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: 1.446
tors. eta vs tors. theta energy: 9.106
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: 8
=====================================
Write number: 321
Temperature: 3.200000
Total energy: -29.254029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.254029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.254029 (E_RNA)
where:
Base-Base interactions energy: -10.014
where: short stacking energy: -8.976
Base-Backbone interact. energy: -0.559
local terms energy: -18.680276
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -4.601
flat angles C4'-P-C4' energy: -3.506
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: 15.155
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: 321
Temperature: 3.583333
Total energy: -17.547549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.547549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.547549 (E_RNA)
where:
Base-Base interactions energy: -3.011
where: short stacking energy: -2.557
Base-Backbone interact. energy: -0.806
local terms energy: -13.730670
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: 3.237
flat angles P-C4'-P energy: -0.942
tors. eta vs tors. theta energy: 14.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 321
Temperature: 3.966667
Total energy: -14.560236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.560236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.560236 (E_RNA)
where:
Base-Base interactions energy: -6.877
where: short stacking energy: -4.009
Base-Backbone interact. energy: 6.438
local terms energy: -14.121719
where:
bonds (distance) C4'-P energy: -10.076
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -7.658
flat angles P-C4'-P energy: 1.346
tors. eta vs tors. theta energy: 15.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 321
Temperature: 4.350000
Total energy: -7.351670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.351670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.351670 (E_RNA)
where:
Base-Base interactions energy: -6.431
where: short stacking energy: -5.346
Base-Backbone interact. energy: -0.713
local terms energy: -0.207394
where:
bonds (distance) C4'-P energy: -11.111
bonds (distance) P-C4' energy: -3.862
flat angles C4'-P-C4' energy: -5.575
flat angles P-C4'-P energy: 4.579
tors. eta vs tors. theta energy: 15.762
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: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -389.935347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.935347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.935347 (E_RNA)
where:
Base-Base interactions energy: -257.649
where: short stacking energy: -116.384
Base-Backbone interact. energy: -0.444
local terms energy: -131.842195
where:
bonds (distance) C4'-P energy: -25.302
bonds (distance) P-C4' energy: -27.739
flat angles C4'-P-C4' energy: -26.253
flat angles P-C4'-P energy: -19.054
tors. eta vs tors. theta energy: -33.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 322
Temperature: 1.283333
Total energy: -246.617764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.617764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.617764 (E_RNA)
where:
Base-Base interactions energy: -153.564
where: short stacking energy: -78.076
Base-Backbone interact. energy: -1.287
local terms energy: -91.766654
where:
bonds (distance) C4'-P energy: -22.110
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -26.518
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -14.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 322
Temperature: 1.666667
Total energy: -85.077393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.077393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.077393 (E_RNA)
where:
Base-Base interactions energy: -22.731
where: short stacking energy: -20.726
Base-Backbone interact. energy: -0.861
local terms energy: -61.485819
where:
bonds (distance) C4'-P energy: -22.208
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: 2.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 322
Temperature: 2.050000
Total energy: -62.651978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.651978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.651978 (E_RNA)
where:
Base-Base interactions energy: -28.121
where: short stacking energy: -25.761
Base-Backbone interact. energy: -0.381
local terms energy: -34.149341
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -24.457
flat angles C4'-P-C4' energy: -6.692
flat angles P-C4'-P energy: 7.826
tors. eta vs tors. theta energy: 10.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 322
Temperature: 2.433333
Total energy: -47.776726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.776726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.776726 (E_RNA)
where:
Base-Base interactions energy: -6.477
where: short stacking energy: -6.610
Base-Backbone interact. energy: -0.244
local terms energy: -41.055951
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -23.399
flat angles C4'-P-C4' energy: -6.179
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: 9.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 322
Temperature: 2.816667
Total energy: -37.792710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.792710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.792710 (E_RNA)
where:
Base-Base interactions energy: -2.365
where: short stacking energy: 2.564
Base-Backbone interact. energy: 2.513
local terms energy: -37.940941
where:
bonds (distance) C4'-P energy: -8.460
bonds (distance) P-C4' energy: -21.163
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: 13.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 322
Temperature: 3.200000
Total energy: -23.949248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.949248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.949248 (E_RNA)
where:
Base-Base interactions energy: -11.160
where: short stacking energy: -8.414
Base-Backbone interact. energy: -0.405
local terms energy: -12.384273
where:
bonds (distance) C4'-P energy: -3.272
bonds (distance) P-C4' energy: -11.005
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: 4.806
tors. eta vs tors. theta energy: 7.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 322
Temperature: 3.583333
Total energy: -14.289412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.289412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.289412 (E_RNA)
where:
Base-Base interactions energy: -5.527
where: short stacking energy: -4.039
Base-Backbone interact. energy: 1.731
local terms energy: -10.492904
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -0.356
flat angles P-C4'-P energy: 3.673
tors. eta vs tors. theta energy: 20.382
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: 9
=====================================
Write number: 322
Temperature: 3.966667
Total energy: -10.539402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.539402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.539402 (E_RNA)
where:
Base-Base interactions energy: -4.983
where: short stacking energy: -1.675
Base-Backbone interact. energy: 1.563
local terms energy: -7.118937
where:
bonds (distance) C4'-P energy: -5.128
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -2.086
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: 23.876
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: 5
=====================================
Write number: 322
Temperature: 4.350000
Total energy: -5.177105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.177105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.177105 (E_RNA)
where:
Base-Base interactions energy: -3.148
where: short stacking energy: 0.181
Base-Backbone interact. energy: 2.631
local terms energy: -4.659720
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: 3.006
flat angles C4'-P-C4' energy: -6.687
flat angles P-C4'-P energy: -0.884
tors. eta vs tors. theta energy: 14.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -378.676240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.676240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.676240 (E_RNA)
where:
Base-Base interactions energy: -252.163
where: short stacking energy: -107.494
Base-Backbone interact. energy: 0.134
local terms energy: -126.647848
where:
bonds (distance) C4'-P energy: -23.555
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -27.772
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: -32.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 1.283333
Total energy: -261.225738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.225738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.225738 (E_RNA)
where:
Base-Base interactions energy: -171.207
where: short stacking energy: -79.628
Base-Backbone interact. energy: -0.735
local terms energy: -89.284133
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -19.036
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 323
Temperature: 1.666667
Total energy: -95.851569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.851569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.851569 (E_RNA)
where:
Base-Base interactions energy: -30.412
where: short stacking energy: -29.819
Base-Backbone interact. energy: -1.849
local terms energy: -63.590163
where:
bonds (distance) C4'-P energy: -22.041
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: 2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 323
Temperature: 2.050000
Total energy: -70.019975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.019975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.019975 (E_RNA)
where:
Base-Base interactions energy: -19.070
where: short stacking energy: -19.070
Base-Backbone interact. energy: -0.330
local terms energy: -50.619881
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -22.753
flat angles C4'-P-C4' energy: -6.887
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: 8.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 323
Temperature: 2.433333
Total energy: -48.732963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.732963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.732963 (E_RNA)
where:
Base-Base interactions energy: -7.323
where: short stacking energy: -6.720
Base-Backbone interact. energy: 0.736
local terms energy: -42.145740
where:
bonds (distance) C4'-P energy: -20.240
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -3.547
tors. eta vs tors. theta energy: 11.972
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: 4
=====================================
Write number: 323
Temperature: 2.816667
Total energy: -33.067668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.067668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.067668 (E_RNA)
where:
Base-Base interactions energy: -5.966
where: short stacking energy: -5.966
Base-Backbone interact. energy: 1.211
local terms energy: -28.313178
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -4.276
tors. eta vs tors. theta energy: 16.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 323
Temperature: 3.200000
Total energy: -22.973502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.973502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.973502 (E_RNA)
where:
Base-Base interactions energy: -10.190
where: short stacking energy: -6.463
Base-Backbone interact. energy: 0.906
local terms energy: -13.689670
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: 3.735
flat angles P-C4'-P energy: 0.796
tors. eta vs tors. theta energy: 14.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 323
Temperature: 3.583333
Total energy: -24.714094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.714094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.714094 (E_RNA)
where:
Base-Base interactions energy: -6.725
where: short stacking energy: -4.477
Base-Backbone interact. energy: -0.401
local terms energy: -17.588592
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -3.538
flat angles P-C4'-P energy: -1.372
tors. eta vs tors. theta energy: 13.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 323
Temperature: 3.966667
Total energy: -8.822373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.822373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.822373 (E_RNA)
where:
Base-Base interactions energy: -5.161
where: short stacking energy: -2.704
Base-Backbone interact. energy: 10.930
local terms energy: -14.591177
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -19.401
flat angles C4'-P-C4' energy: -0.844
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: 22.486
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: 323
Temperature: 4.350000
Total energy: -0.502329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.502329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.502329 (E_RNA)
where:
Base-Base interactions energy: -7.650
where: short stacking energy: -1.449
Base-Backbone interact. energy: 6.853
local terms energy: 0.294611
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: 3.858
flat angles P-C4'-P energy: 13.559
tors. eta vs tors. theta energy: 11.662
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: 324
Temperature: 0.900000
Total energy: -391.379308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.379308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.379308 (E_RNA)
where:
Base-Base interactions energy: -258.753
where: short stacking energy: -115.130
Base-Backbone interact. energy: -1.823
local terms energy: -130.803311
where:
bonds (distance) C4'-P energy: -24.172
bonds (distance) P-C4' energy: -24.974
flat angles C4'-P-C4' energy: -26.342
flat angles P-C4'-P energy: -19.464
tors. eta vs tors. theta energy: -35.850
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: 2, replica: 2
=====================================
Write number: 324
Temperature: 1.283333
Total energy: -256.729570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.729570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.729570 (E_RNA)
where:
Base-Base interactions energy: -151.408
where: short stacking energy: -74.274
Base-Backbone interact. energy: 1.237
local terms energy: -106.558639
where:
bonds (distance) C4'-P energy: -20.373
bonds (distance) P-C4' energy: -25.577
flat angles C4'-P-C4' energy: -24.113
flat angles P-C4'-P energy: -21.025
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 324
Temperature: 1.666667
Total energy: -86.579754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.579754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.579754 (E_RNA)
where:
Base-Base interactions energy: -31.269
where: short stacking energy: -32.283
Base-Backbone interact. energy: -1.505
local terms energy: -53.805232
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -10.040
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: 3.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 324
Temperature: 2.050000
Total energy: -64.816770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.816770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.816770 (E_RNA)
where:
Base-Base interactions energy: -13.856
where: short stacking energy: -13.856
Base-Backbone interact. energy: -0.110
local terms energy: -50.850107
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -21.622
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: 4.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 324
Temperature: 2.433333
Total energy: -49.213060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.213060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.213060 (E_RNA)
where:
Base-Base interactions energy: -17.373
where: short stacking energy: -16.404
Base-Backbone interact. energy: -1.019
local terms energy: -30.821267
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -17.983
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: 22.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 324
Temperature: 2.816667
Total energy: -38.697814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.697814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.697814 (E_RNA)
where:
Base-Base interactions energy: -9.893
where: short stacking energy: -9.331
Base-Backbone interact. energy: -0.521
local terms energy: -28.283413
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -5.278
flat angles P-C4'-P energy: -1.699
tors. eta vs tors. theta energy: 14.145
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: 7, replica: 9
=====================================
Write number: 324
Temperature: 3.200000
Total energy: -30.498051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.498051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.498051 (E_RNA)
where:
Base-Base interactions energy: -0.384
where: short stacking energy: -0.161
Base-Backbone interact. energy: 2.657
local terms energy: -32.771675
where:
bonds (distance) C4'-P energy: -10.593
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -9.519
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: 13.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 324
Temperature: 3.583333
Total energy: -21.285598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.285598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.285598 (E_RNA)
where:
Base-Base interactions energy: -1.158
where: short stacking energy: -1.158
Base-Backbone interact. energy: -1.433
local terms energy: -18.694840
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: 3.941
flat angles P-C4'-P energy: -3.697
tors. eta vs tors. theta energy: 12.232
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: 8
=====================================
Write number: 324
Temperature: 3.966667
Total energy: -19.562266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.562266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.562266 (E_RNA)
where:
Base-Base interactions energy: -2.203
where: short stacking energy: -2.203
Base-Backbone interact. energy: 0.979
local terms energy: -18.337857
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: 5.846
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: 19.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 324
Temperature: 4.350000
Total energy: 3.857992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 3.857992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 3.857992 (E_RNA)
where:
Base-Base interactions energy: -1.944
where: short stacking energy: 0.872
Base-Backbone interact. energy: 7.709
local terms energy: -1.907693
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -6.846
flat angles C4'-P-C4' energy: 10.525
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: 14.181
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: 325
Temperature: 0.900000
Total energy: -391.745520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.745520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.745520 (E_RNA)
where:
Base-Base interactions energy: -268.667
where: short stacking energy: -127.694
Base-Backbone interact. energy: -0.288
local terms energy: -122.790431
where:
bonds (distance) C4'-P energy: -24.172
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -27.238
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -35.647
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: 2, replica: 2
=====================================
Write number: 325
Temperature: 1.283333
Total energy: -228.884397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.884397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.884397 (E_RNA)
where:
Base-Base interactions energy: -142.237
where: short stacking energy: -76.447
Base-Backbone interact. energy: 0.046
local terms energy: -86.692638
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -27.027
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -15.820
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: 6
=====================================
Write number: 325
Temperature: 1.666667
Total energy: -92.321686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.321686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.321686 (E_RNA)
where:
Base-Base interactions energy: -23.516
where: short stacking energy: -21.467
Base-Backbone interact. energy: -0.692
local terms energy: -68.113128
where:
bonds (distance) C4'-P energy: -25.201
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: 5.187
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: 325
Temperature: 2.050000
Total energy: -62.352571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.352571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.352571 (E_RNA)
where:
Base-Base interactions energy: -14.964
where: short stacking energy: -13.435
Base-Backbone interact. energy: 2.294
local terms energy: -49.683030
where:
bonds (distance) C4'-P energy: -20.914
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -21.717
flat angles P-C4'-P energy: -1.527
tors. eta vs tors. theta energy: 9.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 325
Temperature: 2.433333
Total energy: -45.793691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.793691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.793691 (E_RNA)
where:
Base-Base interactions energy: -10.811
where: short stacking energy: -10.779
Base-Backbone interact. energy: -1.385
local terms energy: -33.598214
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -4.177
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: 10.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 325
Temperature: 2.816667
Total energy: -38.779972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.779972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.779972 (E_RNA)
where:
Base-Base interactions energy: 0.085
where: short stacking energy: -1.424
Base-Backbone interact. energy: -0.778
local terms energy: -38.087569
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -2.908
tors. eta vs tors. theta energy: 11.558
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: 7
=====================================
Write number: 325
Temperature: 3.200000
Total energy: -32.443649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.443649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.443649 (E_RNA)
where:
Base-Base interactions energy: -13.209
where: short stacking energy: -10.809
Base-Backbone interact. energy: 3.118
local terms energy: -22.353374
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -9.058
flat angles C4'-P-C4' energy: -1.088
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: 8.073
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: 8, replica: 8
=====================================
Write number: 325
Temperature: 3.583333
Total energy: -21.117024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.117024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.117024 (E_RNA)
where:
Base-Base interactions energy: -11.183
where: short stacking energy: -5.862
Base-Backbone interact. energy: 5.108
local terms energy: -15.041704
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -6.780
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: 7.815
tors. eta vs tors. theta energy: 13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 325
Temperature: 3.966667
Total energy: -6.598856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.598856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.598856 (E_RNA)
where:
Base-Base interactions energy: -4.933
where: short stacking energy: 0.432
Base-Backbone interact. energy: 0.337
local terms energy: -2.002862
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -5.021
flat angles C4'-P-C4' energy: -4.523
flat angles P-C4'-P energy: 11.966
tors. eta vs tors. theta energy: 15.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 325
Temperature: 4.350000
Total energy: -0.102544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.102544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.102544 (E_RNA)
where:
Base-Base interactions energy: -5.653
where: short stacking energy: -8.693
Base-Backbone interact. energy: 4.060
local terms energy: 1.490398
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -4.719
flat angles C4'-P-C4' energy: 0.718
flat angles P-C4'-P energy: 2.842
tors. eta vs tors. theta energy: 13.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -382.946834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.946834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.946834 (E_RNA)
where:
Base-Base interactions energy: -250.887
where: short stacking energy: -122.583
Base-Backbone interact. energy: -0.176
local terms energy: -131.882975
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -26.706
flat angles C4'-P-C4' energy: -30.223
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -34.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 326
Temperature: 1.283333
Total energy: -206.367593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.367593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.367593 (E_RNA)
where:
Base-Base interactions energy: -124.193
where: short stacking energy: -53.809
Base-Backbone interact. energy: 0.023
local terms energy: -82.197399
where:
bonds (distance) C4'-P energy: -22.683
bonds (distance) P-C4' energy: -21.597
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 326
Temperature: 1.666667
Total energy: -86.377343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.377343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.377343 (E_RNA)
where:
Base-Base interactions energy: -27.516
where: short stacking energy: -27.516
Base-Backbone interact. energy: -0.799
local terms energy: -58.062480
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: 0.579
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: 10
=====================================
Write number: 326
Temperature: 2.050000
Total energy: -61.912727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.912727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.912727 (E_RNA)
where:
Base-Base interactions energy: -8.152
where: short stacking energy: -7.702
Base-Backbone interact. energy: -0.300
local terms energy: -53.461426
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -23.558
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: 6.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 326
Temperature: 2.433333
Total energy: -39.437975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.437975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.437975 (E_RNA)
where:
Base-Base interactions energy: -8.555
where: short stacking energy: -8.555
Base-Backbone interact. energy: -0.783
local terms energy: -30.100319
where:
bonds (distance) C4'-P energy: -19.576
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -2.046
flat angles P-C4'-P energy: -4.398
tors. eta vs tors. theta energy: 10.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 326
Temperature: 2.816667
Total energy: -42.442511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.442511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.442511 (E_RNA)
where:
Base-Base interactions energy: -19.023
where: short stacking energy: -11.588
Base-Backbone interact. energy: 2.991
local terms energy: -26.410782
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -5.347
flat angles P-C4'-P energy: -4.261
tors. eta vs tors. theta energy: 10.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 326
Temperature: 3.200000
Total energy: -32.795340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.795340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.795340 (E_RNA)
where:
Base-Base interactions energy: -4.648
where: short stacking energy: -4.748
Base-Backbone interact. energy: 0.478
local terms energy: -28.625886
where:
bonds (distance) C4'-P energy: -7.962
bonds (distance) P-C4' energy: -10.065
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: 8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 326
Temperature: 3.583333
Total energy: -17.351238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.351238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.351238 (E_RNA)
where:
Base-Base interactions energy: -0.566
where: short stacking energy: 1.900
Base-Backbone interact. energy: -1.196
local terms energy: -15.589845
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -5.589
flat angles P-C4'-P energy: 4.370
tors. eta vs tors. theta energy: 14.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 326
Temperature: 3.966667
Total energy: -9.275543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.275543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.275543 (E_RNA)
where:
Base-Base interactions energy: 3.618
where: short stacking energy: -2.382
Base-Backbone interact. energy: 0.144
local terms energy: -13.037729
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -6.776
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: 0.778
tors. eta vs tors. theta energy: 14.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 326
Temperature: 4.350000
Total energy: 0.352933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.352933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.352933 (E_RNA)
where:
Base-Base interactions energy: 0.651
where: short stacking energy: 1.400
Base-Backbone interact. energy: 3.367
local terms energy: -3.665662
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -9.996
flat angles C4'-P-C4' energy: 7.465
flat angles P-C4'-P energy: 2.366
tors. eta vs tors. theta energy: 16.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -395.280891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.280891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.280891 (E_RNA)
where:
Base-Base interactions energy: -266.396
where: short stacking energy: -116.614
Base-Backbone interact. energy: -0.877
local terms energy: -128.008301
where:
bonds (distance) C4'-P energy: -23.365
bonds (distance) P-C4' energy: -28.934
flat angles C4'-P-C4' energy: -24.981
flat angles P-C4'-P energy: -16.525
tors. eta vs tors. theta energy: -34.204
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: 2
=====================================
Write number: 327
Temperature: 1.283333
Total energy: -233.554605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.554605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.554605 (E_RNA)
where:
Base-Base interactions energy: -144.615
where: short stacking energy: -73.506
Base-Backbone interact. energy: -0.172
local terms energy: -88.767466
where:
bonds (distance) C4'-P energy: -26.483
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -9.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 327
Temperature: 1.666667
Total energy: -84.341156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.341156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.341156 (E_RNA)
where:
Base-Base interactions energy: -21.348
where: short stacking energy: -21.348
Base-Backbone interact. energy: 0.934
local terms energy: -63.926324
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: 7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 327
Temperature: 2.050000
Total energy: -59.173968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.173968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.173968 (E_RNA)
where:
Base-Base interactions energy: -16.778
where: short stacking energy: -16.778
Base-Backbone interact. energy: -0.309
local terms energy: -42.087028
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -10.168
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: 7.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 327
Temperature: 2.433333
Total energy: -54.036823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.036823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.036823 (E_RNA)
where:
Base-Base interactions energy: -6.051
where: short stacking energy: -6.051
Base-Backbone interact. energy: 0.481
local terms energy: -48.467207
where:
bonds (distance) C4'-P energy: -18.600
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -3.021
tors. eta vs tors. theta energy: 4.963
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: 327
Temperature: 2.816667
Total energy: -33.454803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.454803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.454803 (E_RNA)
where:
Base-Base interactions energy: -8.811
where: short stacking energy: -5.436
Base-Backbone interact. energy: 3.122
local terms energy: -27.766014
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -7.962
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: 13.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 327
Temperature: 3.200000
Total energy: -26.201793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.201793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.201793 (E_RNA)
where:
Base-Base interactions energy: -7.594
where: short stacking energy: -7.594
Base-Backbone interact. energy: 1.536
local terms energy: -20.143991
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: 1.319
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: 15.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 327
Temperature: 3.583333
Total energy: -18.812802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.812802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.812802 (E_RNA)
where:
Base-Base interactions energy: 0.254
where: short stacking energy: -1.246
Base-Backbone interact. energy: 1.905
local terms energy: -20.972066
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -3.643
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: 16.712
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: 9, replica: 7
=====================================
Write number: 327
Temperature: 3.966667
Total energy: -13.176403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.176403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.176403 (E_RNA)
where:
Base-Base interactions energy: -5.304
where: short stacking energy: -1.039
Base-Backbone interact. energy: 3.495
local terms energy: -11.367331
where:
bonds (distance) C4'-P energy: -7.319
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -5.361
flat angles P-C4'-P energy: -1.195
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: 10, replica: 3
=====================================
Write number: 327
Temperature: 4.350000
Total energy: 2.695265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 2.695265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 2.695265 (E_RNA)
where:
Base-Base interactions energy: -2.796
where: short stacking energy: -1.974
Base-Backbone interact. energy: 2.690
local terms energy: 2.801464
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -6.225
flat angles C4'-P-C4' energy: 2.090
flat angles P-C4'-P energy: 2.241
tors. eta vs tors. theta energy: 16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -386.889693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.889693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.889693 (E_RNA)
where:
Base-Base interactions energy: -266.687
where: short stacking energy: -124.581
Base-Backbone interact. energy: -0.778
local terms energy: -119.425184
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -26.457
flat angles P-C4'-P energy: -18.691
tors. eta vs tors. theta energy: -35.157
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: 2
=====================================
Write number: 328
Temperature: 1.283333
Total energy: -224.046542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.046542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.046542 (E_RNA)
where:
Base-Base interactions energy: -145.249
where: short stacking energy: -62.015
Base-Backbone interact. energy: -0.374
local terms energy: -78.423533
where:
bonds (distance) C4'-P energy: -22.941
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -6.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 328
Temperature: 1.666667
Total energy: -96.671181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.671181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.671181 (E_RNA)
where:
Base-Base interactions energy: -33.053
where: short stacking energy: -30.928
Base-Backbone interact. energy: -0.023
local terms energy: -63.595077
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 328
Temperature: 2.050000
Total energy: -65.633238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.633238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.633238 (E_RNA)
where:
Base-Base interactions energy: -26.058
where: short stacking energy: -21.435
Base-Backbone interact. energy: -0.180
local terms energy: -39.395038
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -2.244
tors. eta vs tors. theta energy: 0.973
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: 5, replica: 8
=====================================
Write number: 328
Temperature: 2.433333
Total energy: -41.815959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.815959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.815959 (E_RNA)
where:
Base-Base interactions energy: -5.853
where: short stacking energy: -5.594
Base-Backbone interact. energy: 2.530
local terms energy: -38.492350
where:
bonds (distance) C4'-P energy: -22.242
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -6.267
flat angles P-C4'-P energy: -2.162
tors. eta vs tors. theta energy: 8.819
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: 6, replica: 4
=====================================
Write number: 328
Temperature: 2.816667
Total energy: -33.902428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.902428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.902428 (E_RNA)
where:
Base-Base interactions energy: -12.713
where: short stacking energy: -10.773
Base-Backbone interact. energy: 0.974
local terms energy: -22.163836
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: 1.353
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: 5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 328
Temperature: 3.200000
Total energy: -30.010044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.010044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.010044 (E_RNA)
where:
Base-Base interactions energy: -6.029
where: short stacking energy: -7.506
Base-Backbone interact. energy: 3.809
local terms energy: -27.789696
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -7.807
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: 16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 328
Temperature: 3.583333
Total energy: -15.357027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.357027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.357027 (E_RNA)
where:
Base-Base interactions energy: -0.611
where: short stacking energy: -0.121
Base-Backbone interact. energy: -1.111
local terms energy: -13.634491
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -3.292
flat angles P-C4'-P energy: 0.202
tors. eta vs tors. theta energy: 10.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 328
Temperature: 3.966667
Total energy: -3.148153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.148153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.148153 (E_RNA)
where:
Base-Base interactions energy: -3.858
where: short stacking energy: -0.735
Base-Backbone interact. energy: 6.402
local terms energy: -5.692688
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -11.385
flat angles C4'-P-C4' energy: -3.379
flat angles P-C4'-P energy: 7.399
tors. eta vs tors. theta energy: 18.551
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: 7
=====================================
Write number: 328
Temperature: 4.350000
Total energy: -5.752628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.752628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.752628 (E_RNA)
where:
Base-Base interactions energy: -3.598
where: short stacking energy: -4.636
Base-Backbone interact. energy: 3.912
local terms energy: -6.066241
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: 2.708
flat angles C4'-P-C4' energy: -7.606
flat angles P-C4'-P energy: -3.633
tors. eta vs tors. theta energy: 16.205
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: 329
Temperature: 0.900000
Total energy: -378.368047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.368047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.368047 (E_RNA)
where:
Base-Base interactions energy: -244.194
where: short stacking energy: -121.516
Base-Backbone interact. energy: -0.103
local terms energy: -134.070558
where:
bonds (distance) C4'-P energy: -23.422
bonds (distance) P-C4' energy: -26.214
flat angles C4'-P-C4' energy: -29.749
flat angles P-C4'-P energy: -18.337
tors. eta vs tors. theta energy: -36.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 1.283333
Total energy: -232.347507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.347507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.347507 (E_RNA)
where:
Base-Base interactions energy: -153.560
where: short stacking energy: -64.691
Base-Backbone interact. energy: -0.973
local terms energy: -77.814026
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -6.053
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: 6
=====================================
Write number: 329
Temperature: 1.666667
Total energy: -89.299037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.299037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.299037 (E_RNA)
where:
Base-Base interactions energy: -27.566
where: short stacking energy: -26.745
Base-Backbone interact. energy: -0.309
local terms energy: -61.424147
where:
bonds (distance) C4'-P energy: -25.132
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: 10.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 329
Temperature: 2.050000
Total energy: -68.136853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.136853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.136853 (E_RNA)
where:
Base-Base interactions energy: -23.736
where: short stacking energy: -21.789
Base-Backbone interact. energy: -0.485
local terms energy: -43.916005
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -17.384
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: 1.995
tors. eta vs tors. theta energy: 8.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 329
Temperature: 2.433333
Total energy: -55.126988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.126988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.126988 (E_RNA)
where:
Base-Base interactions energy: -12.224
where: short stacking energy: -12.224
Base-Backbone interact. energy: 4.030
local terms energy: -46.933049
where:
bonds (distance) C4'-P energy: -6.168
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: 12.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 329
Temperature: 2.816667
Total energy: -33.755991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.755991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.755991 (E_RNA)
where:
Base-Base interactions energy: -3.313
where: short stacking energy: -2.920
Base-Backbone interact. energy: 0.373
local terms energy: -30.815557
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -3.857
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: 7.814
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: 9
=====================================
Write number: 329
Temperature: 3.200000
Total energy: -19.794514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.794514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.794514 (E_RNA)
where:
Base-Base interactions energy: -7.285
where: short stacking energy: -6.891
Base-Backbone interact. energy: -0.440
local terms energy: -12.069147
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -1.411
flat angles P-C4'-P energy: 7.731
tors. eta vs tors. theta energy: 12.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 329
Temperature: 3.583333
Total energy: -16.058792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.058792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.058792 (E_RNA)
where:
Base-Base interactions energy: -3.599
where: short stacking energy: -2.486
Base-Backbone interact. energy: 5.905
local terms energy: -18.364525
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: 0.399
tors. eta vs tors. theta energy: 17.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 329
Temperature: 3.966667
Total energy: -8.640360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.640360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.640360 (E_RNA)
where:
Base-Base interactions energy: -0.801
where: short stacking energy: -0.801
Base-Backbone interact. energy: 4.000
local terms energy: -11.839781
where:
bonds (distance) C4'-P energy: -23.724
bonds (distance) P-C4' energy: -7.935
flat angles C4'-P-C4' energy: -0.620
flat angles P-C4'-P energy: 6.315
tors. eta vs tors. theta energy: 14.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 329
Temperature: 4.350000
Total energy: -5.314028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.314028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.314028 (E_RNA)
where:
Base-Base interactions energy: -3.470
where: short stacking energy: -3.470
Base-Backbone interact. energy: 3.780
local terms energy: -5.624001
where:
bonds (distance) C4'-P energy: -3.122
bonds (distance) P-C4' energy: -2.643
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -3.444
tors. eta vs tors. theta energy: 16.254
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: 1, replica: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -367.339587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.339587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.339587 (E_RNA)
where:
Base-Base interactions energy: -246.773
where: short stacking energy: -117.834
Base-Backbone interact. energy: -0.076
local terms energy: -120.490465
where:
bonds (distance) C4'-P energy: -28.528
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -27.620
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -31.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 330
Temperature: 1.283333
Total energy: -209.954013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.954013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.954013 (E_RNA)
where:
Base-Base interactions energy: -123.625
where: short stacking energy: -60.310
Base-Backbone interact. energy: -0.423
local terms energy: -85.905496
where:
bonds (distance) C4'-P energy: -24.464
bonds (distance) P-C4' energy: -25.485
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -7.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.666667
Total energy: -101.551625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.551625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.551625 (E_RNA)
where:
Base-Base interactions energy: -45.123
where: short stacking energy: -42.176
Base-Backbone interact. energy: -0.028
local terms energy: -56.400241
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -9.540
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: 3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 330
Temperature: 2.050000
Total energy: -67.935908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.935908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.935908 (E_RNA)
where:
Base-Base interactions energy: -16.790
where: short stacking energy: -16.267
Base-Backbone interact. energy: -0.528
local terms energy: -50.617996
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: 6.991
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: 5, replica: 4
=====================================
Write number: 330
Temperature: 2.433333
Total energy: -45.229020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.229020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.229020 (E_RNA)
where:
Base-Base interactions energy: -3.035
where: short stacking energy: -0.120
Base-Backbone interact. energy: 0.375
local terms energy: -42.568982
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -23.885
flat angles C4'-P-C4' energy: -9.079
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: 14.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 330
Temperature: 2.816667
Total energy: -33.136524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.136524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.136524 (E_RNA)
where:
Base-Base interactions energy: -7.951
where: short stacking energy: -6.794
Base-Backbone interact. energy: 0.033
local terms energy: -25.218306
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: 6.715
tors. eta vs tors. theta energy: 11.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 330
Temperature: 3.200000
Total energy: -23.076589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.076589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.076589 (E_RNA)
where:
Base-Base interactions energy: -5.600
where: short stacking energy: -4.098
Base-Backbone interact. energy: -0.046
local terms energy: -17.430113
where:
bonds (distance) C4'-P energy: -18.380
bonds (distance) P-C4' energy: -9.016
flat angles C4'-P-C4' energy: -6.476
flat angles P-C4'-P energy: -1.183
tors. eta vs tors. theta energy: 17.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 330
Temperature: 3.583333
Total energy: -13.390852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.390852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.390852 (E_RNA)
where:
Base-Base interactions energy: -8.370
where: short stacking energy: -8.370
Base-Backbone interact. energy: -0.408
local terms energy: -4.612567
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -7.652
flat angles C4'-P-C4' energy: -6.791
flat angles P-C4'-P energy: 5.368
tors. eta vs tors. theta energy: 14.211
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: 7
=====================================
Write number: 330
Temperature: 3.966667
Total energy: -10.759008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.759008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.759008 (E_RNA)
where:
Base-Base interactions energy: -5.097
where: short stacking energy: -5.097
Base-Backbone interact. energy: 2.922
local terms energy: -8.583163
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: 5.629
flat angles P-C4'-P energy: 4.338
tors. eta vs tors. theta energy: 14.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 330
Temperature: 4.350000
Total energy: 0.339265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.339265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.339265 (E_RNA)
where:
Base-Base interactions energy: -2.485
where: short stacking energy: -2.485
Base-Backbone interact. energy: 4.084
local terms energy: -1.259760
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -7.257
flat angles C4'-P-C4' energy: 4.367
flat angles P-C4'-P energy: -2.972
tors. eta vs tors. theta energy: 17.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -371.373993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.373993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.373993 (E_RNA)
where:
Base-Base interactions energy: -246.852
where: short stacking energy: -112.449
Base-Backbone interact. energy: -0.202
local terms energy: -124.319804
where:
bonds (distance) C4'-P energy: -24.748
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -28.885
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -32.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 331
Temperature: 1.283333
Total energy: -197.180691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.180691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.180691 (E_RNA)
where:
Base-Base interactions energy: -112.801
where: short stacking energy: -43.282
Base-Backbone interact. energy: -0.264
local terms energy: -84.115499
where:
bonds (distance) C4'-P energy: -24.195
bonds (distance) P-C4' energy: -23.024
flat angles C4'-P-C4' energy: -22.366
flat angles P-C4'-P energy: -18.593
tors. eta vs tors. theta energy: 4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 331
Temperature: 1.666667
Total energy: -85.932626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.932626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.932626 (E_RNA)
where:
Base-Base interactions energy: -20.881
where: short stacking energy: -21.681
Base-Backbone interact. energy: -0.383
local terms energy: -64.668209
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -0.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 331
Temperature: 2.050000
Total energy: -64.793871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.793871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.793871 (E_RNA)
where:
Base-Base interactions energy: -18.540
where: short stacking energy: -11.379
Base-Backbone interact. energy: -0.105
local terms energy: -46.148584
where:
bonds (distance) C4'-P energy: -22.963
bonds (distance) P-C4' energy: -6.213
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: 7.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 331
Temperature: 2.433333
Total energy: -46.169625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.169625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.169625 (E_RNA)
where:
Base-Base interactions energy: -24.729
where: short stacking energy: -20.256
Base-Backbone interact. energy: -0.280
local terms energy: -21.160209
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -2.975
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: 1.114
tors. eta vs tors. theta energy: 9.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 331
Temperature: 2.816667
Total energy: -41.655763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.655763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.655763 (E_RNA)
where:
Base-Base interactions energy: -15.654
where: short stacking energy: -4.990
Base-Backbone interact. energy: 1.687
local terms energy: -27.688471
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -19.208
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: 1.177
tors. eta vs tors. theta energy: 15.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 3.200000
Total energy: -19.678041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.678041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.678041 (E_RNA)
where:
Base-Base interactions energy: -5.924
where: short stacking energy: -4.865
Base-Backbone interact. energy: 5.555
local terms energy: -19.308708
where:
bonds (distance) C4'-P energy: -7.866
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -4.406
flat angles P-C4'-P energy: -3.545
tors. eta vs tors. theta energy: 15.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 331
Temperature: 3.583333
Total energy: -14.918337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.918337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.918337 (E_RNA)
where:
Base-Base interactions energy: -3.757
where: short stacking energy: -4.661
Base-Backbone interact. energy: -0.343
local terms energy: -10.817639
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: 4.872
flat angles P-C4'-P energy: -4.212
tors. eta vs tors. theta energy: 14.221
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: 9
=====================================
Write number: 331
Temperature: 3.966667
Total energy: -11.122723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.122723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.122723 (E_RNA)
where:
Base-Base interactions energy: -2.546
where: short stacking energy: -1.646
Base-Backbone interact. energy: 1.697
local terms energy: -10.273778
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -2.910
flat angles C4'-P-C4' energy: -5.945
flat angles P-C4'-P energy: -5.980
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: 10, replica: 5
=====================================
Write number: 331
Temperature: 4.350000
Total energy: 4.069053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4.069053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 4.069053 (E_RNA)
where:
Base-Base interactions energy: -2.053
where: short stacking energy: -2.453
Base-Backbone interact. energy: 2.099
local terms energy: 4.023897
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -3.889
flat angles C4'-P-C4' energy: 11.044
flat angles P-C4'-P energy: 0.624
tors. eta vs tors. theta energy: 11.963
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: 1, replica: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -365.401124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.401124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.401124 (E_RNA)
where:
Base-Base interactions energy: -240.363
where: short stacking energy: -108.890
Base-Backbone interact. energy: -0.773
local terms energy: -124.265815
where:
bonds (distance) C4'-P energy: -27.369
bonds (distance) P-C4' energy: -26.712
flat angles C4'-P-C4' energy: -26.549
flat angles P-C4'-P energy: -16.334
tors. eta vs tors. theta energy: -27.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 332
Temperature: 1.283333
Total energy: -190.882373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.882373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.882373 (E_RNA)
where:
Base-Base interactions energy: -110.202
where: short stacking energy: -39.958
Base-Backbone interact. energy: -1.176
local terms energy: -79.504697
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -23.445
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: 1.172
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: 6
=====================================
Write number: 332
Temperature: 1.666667
Total energy: -89.278037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.278037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.278037 (E_RNA)
where:
Base-Base interactions energy: -21.617
where: short stacking energy: -15.465
Base-Backbone interact. energy: 0.271
local terms energy: -67.932137
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -17.262
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: 4, replica: 4
=====================================
Write number: 332
Temperature: 2.050000
Total energy: -60.597232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.597232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.597232 (E_RNA)
where:
Base-Base interactions energy: -21.308
where: short stacking energy: -20.424
Base-Backbone interact. energy: 0.131
local terms energy: -39.420348
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: 2.466
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: 6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 332
Temperature: 2.433333
Total energy: -44.181614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.181614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.181614 (E_RNA)
where:
Base-Base interactions energy: -12.117
where: short stacking energy: -10.518
Base-Backbone interact. energy: -0.298
local terms energy: -31.766608
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -8.082
flat angles P-C4'-P energy: 4.181
tors. eta vs tors. theta energy: 12.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 332
Temperature: 2.816667
Total energy: -37.893390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.893390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.893390 (E_RNA)
where:
Base-Base interactions energy: -7.360
where: short stacking energy: -6.571
Base-Backbone interact. energy: 0.159
local terms energy: -30.691777
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -0.672
tors. eta vs tors. theta energy: 17.754
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: 332
Temperature: 3.200000
Total energy: -23.698281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.698281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.698281 (E_RNA)
where:
Base-Base interactions energy: -3.367
where: short stacking energy: -3.367
Base-Backbone interact. energy: -0.680
local terms energy: -19.651994
where:
bonds (distance) C4'-P energy: -8.589
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -7.969
flat angles P-C4'-P energy: 1.860
tors. eta vs tors. theta energy: 10.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 332
Temperature: 3.583333
Total energy: -8.339607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.339607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.339607 (E_RNA)
where:
Base-Base interactions energy: -0.579
where: short stacking energy: 1.009
Base-Backbone interact. energy: -0.533
local terms energy: -7.227812
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -7.848
flat angles P-C4'-P energy: 5.092
tors. eta vs tors. theta energy: 20.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 332
Temperature: 3.966667
Total energy: -14.449148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.449148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.449148 (E_RNA)
where:
Base-Base interactions energy: -8.250
where: short stacking energy: -6.574
Base-Backbone interact. energy: 1.574
local terms energy: -7.773865
where:
bonds (distance) C4'-P energy: -7.231
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: 4.089
flat angles P-C4'-P energy: -3.037
tors. eta vs tors. theta energy: 13.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 332
Temperature: 4.350000
Total energy: -6.698728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.698728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.698728 (E_RNA)
where:
Base-Base interactions energy: -0.938
where: short stacking energy: 0.000
Base-Backbone interact. energy: -1.402
local terms energy: -4.358925
where:
bonds (distance) C4'-P energy: -7.342
bonds (distance) P-C4' energy: -0.945
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -0.767
tors. eta vs tors. theta energy: 16.903
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: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -370.431242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.431242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.431242 (E_RNA)
where:
Base-Base interactions energy: -240.173
where: short stacking energy: -115.287
Base-Backbone interact. energy: -0.258
local terms energy: -130.001138
where:
bonds (distance) C4'-P energy: -25.575
bonds (distance) P-C4' energy: -28.015
flat angles C4'-P-C4' energy: -25.634
flat angles P-C4'-P energy: -17.702
tors. eta vs tors. theta energy: -33.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 1.283333
Total energy: -181.964348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.964348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.964348 (E_RNA)
where:
Base-Base interactions energy: -99.481
where: short stacking energy: -56.583
Base-Backbone interact. energy: 0.411
local terms energy: -82.894837
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -10.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 333
Temperature: 1.666667
Total energy: -78.566150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.566150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.566150 (E_RNA)
where:
Base-Base interactions energy: -29.355
where: short stacking energy: -27.958
Base-Backbone interact. energy: -1.182
local terms energy: -48.029368
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: 7.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 333
Temperature: 2.050000
Total energy: -65.398774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.398774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.398774 (E_RNA)
where:
Base-Base interactions energy: -26.188
where: short stacking energy: -19.281
Base-Backbone interact. energy: 0.190
local terms energy: -39.400881
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -10.095
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: 4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 333
Temperature: 2.433333
Total energy: -47.165520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.165520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.165520 (E_RNA)
where:
Base-Base interactions energy: -7.801
where: short stacking energy: -7.380
Base-Backbone interact. energy: -0.521
local terms energy: -38.843104
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -20.280
flat angles C4'-P-C4' energy: -3.377
flat angles P-C4'-P energy: -1.949
tors. eta vs tors. theta energy: 8.034
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: 8
=====================================
Write number: 333
Temperature: 2.816667
Total energy: -38.855603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.855603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.855603 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: 0.358
Base-Backbone interact. energy: 1.234
local terms energy: -37.112376
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: 14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 333
Temperature: 3.200000
Total energy: -18.597202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.597202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.597202 (E_RNA)
where:
Base-Base interactions energy: -1.436
where: short stacking energy: -1.489
Base-Backbone interact. energy: 1.118
local terms energy: -18.278655
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: 6.859
tors. eta vs tors. theta energy: 13.969
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: 333
Temperature: 3.583333
Total energy: -10.507118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.507118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.507118 (E_RNA)
where:
Base-Base interactions energy: -4.091
where: short stacking energy: -0.555
Base-Backbone interact. energy: -0.705
local terms energy: -5.711386
where:
bonds (distance) C4'-P energy: -5.762
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -6.722
flat angles P-C4'-P energy: 10.054
tors. eta vs tors. theta energy: 16.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 333
Temperature: 3.966667
Total energy: -8.899073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.899073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.899073 (E_RNA)
where:
Base-Base interactions energy: -13.532
where: short stacking energy: -11.063
Base-Backbone interact. energy: 1.962
local terms energy: 2.670231
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -10.590
flat angles C4'-P-C4' energy: 6.616
flat angles P-C4'-P energy: 8.435
tors. eta vs tors. theta energy: 10.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 333
Temperature: 4.350000
Total energy: -7.316941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.316941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.316941 (E_RNA)
where:
Base-Base interactions energy: -4.935
where: short stacking energy: -3.869
Base-Backbone interact. energy: -0.860
local terms energy: -1.521957
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -11.417
flat angles C4'-P-C4' energy: 3.752
flat angles P-C4'-P energy: 5.332
tors. eta vs tors. theta energy: 15.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -360.964433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.964433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.964433 (E_RNA)
where:
Base-Base interactions energy: -231.376
where: short stacking energy: -114.461
Base-Backbone interact. energy: -1.920
local terms energy: -127.668677
where:
bonds (distance) C4'-P energy: -22.201
bonds (distance) P-C4' energy: -27.729
flat angles C4'-P-C4' energy: -25.296
flat angles P-C4'-P energy: -20.130
tors. eta vs tors. theta energy: -32.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 334
Temperature: 1.283333
Total energy: -173.409765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.409765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.409765 (E_RNA)
where:
Base-Base interactions energy: -86.314
where: short stacking energy: -45.628
Base-Backbone interact. energy: -0.473
local terms energy: -86.622462
where:
bonds (distance) C4'-P energy: -20.815
bonds (distance) P-C4' energy: -24.704
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -20.111
tors. eta vs tors. theta energy: -8.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 334
Temperature: 1.666667
Total energy: -88.953155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.953155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.953155 (E_RNA)
where:
Base-Base interactions energy: -34.903
where: short stacking energy: -32.144
Base-Backbone interact. energy: 0.087
local terms energy: -54.136845
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -1.822
tors. eta vs tors. theta energy: 0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 334
Temperature: 2.050000
Total energy: -67.378594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.378594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.378594 (E_RNA)
where:
Base-Base interactions energy: -25.187
where: short stacking energy: -18.345
Base-Backbone interact. energy: 2.496
local terms energy: -44.686907
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -26.075
flat angles C4'-P-C4' energy: -1.048
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: 12.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 334
Temperature: 2.433333
Total energy: -51.972717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.972717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.972717 (E_RNA)
where:
Base-Base interactions energy: -10.667
where: short stacking energy: -7.881
Base-Backbone interact. energy: 4.230
local terms energy: -45.535445
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: 14.720
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: 4
=====================================
Write number: 334
Temperature: 2.816667
Total energy: -40.239887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.239887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.239887 (E_RNA)
where:
Base-Base interactions energy: -4.779
where: short stacking energy: -4.779
Base-Backbone interact. energy: -0.018
local terms energy: -35.443137
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: 16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 334
Temperature: 3.200000
Total energy: -34.740031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.740031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.740031 (E_RNA)
where:
Base-Base interactions energy: -4.852
where: short stacking energy: -5.680
Base-Backbone interact. energy: 1.533
local terms energy: -31.420981
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -1.349
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: 18.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 334
Temperature: 3.583333
Total energy: -15.680448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.680448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.680448 (E_RNA)
where:
Base-Base interactions energy: -1.406
where: short stacking energy: -1.414
Base-Backbone interact. energy: 0.578
local terms energy: -14.852538
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -0.068
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: 16.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 334
Temperature: 3.966667
Total energy: -17.056573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.056573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.056573 (E_RNA)
where:
Base-Base interactions energy: -12.558
where: short stacking energy: -12.558
Base-Backbone interact. energy: -0.255
local terms energy: -4.244138
where:
bonds (distance) C4'-P energy: -7.831
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -2.581
flat angles P-C4'-P energy: 6.876
tors. eta vs tors. theta energy: 13.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 334
Temperature: 4.350000
Total energy: 1.354899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.354899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.354899 (E_RNA)
where:
Base-Base interactions energy: 2.617
where: short stacking energy: 2.547
Base-Backbone interact. energy: 5.742
local terms energy: -7.004117
where:
bonds (distance) C4'-P energy: -3.990
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: 1.483
flat angles P-C4'-P energy: -3.277
tors. eta vs tors. theta energy: 19.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -361.405623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.405623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.405623 (E_RNA)
where:
Base-Base interactions energy: -231.906
where: short stacking energy: -116.656
Base-Backbone interact. energy: 0.371
local terms energy: -129.871538
where:
bonds (distance) C4'-P energy: -24.623
bonds (distance) P-C4' energy: -26.451
flat angles C4'-P-C4' energy: -28.437
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -34.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 335
Temperature: 1.283333
Total energy: -208.080049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.080049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.080049 (E_RNA)
where:
Base-Base interactions energy: -130.126
where: short stacking energy: -80.069
Base-Backbone interact. energy: -0.038
local terms energy: -77.916102
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -14.956
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: 335
Temperature: 1.666667
Total energy: -84.546648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.546648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.546648 (E_RNA)
where:
Base-Base interactions energy: -32.639
where: short stacking energy: -28.934
Base-Backbone interact. energy: -0.372
local terms energy: -51.535424
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: 9.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 335
Temperature: 2.050000
Total energy: -61.483712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.483712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.483712 (E_RNA)
where:
Base-Base interactions energy: -14.456
where: short stacking energy: -10.581
Base-Backbone interact. energy: -1.286
local terms energy: -45.741588
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -4.536
tors. eta vs tors. theta energy: 7.470
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: 8
=====================================
Write number: 335
Temperature: 2.433333
Total energy: -50.841247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.841247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.841247 (E_RNA)
where:
Base-Base interactions energy: -9.437
where: short stacking energy: -9.421
Base-Backbone interact. energy: -0.321
local terms energy: -41.083548
where:
bonds (distance) C4'-P energy: -24.831
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -8.363
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: 13.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 335
Temperature: 2.816667
Total energy: -38.266231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.266231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.266231 (E_RNA)
where:
Base-Base interactions energy: -12.829
where: short stacking energy: -10.093
Base-Backbone interact. energy: -0.099
local terms energy: -25.338764
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -10.483
flat angles C4'-P-C4' energy: -9.841
flat angles P-C4'-P energy: -1.456
tors. eta vs tors. theta energy: 6.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 335
Temperature: 3.200000
Total energy: -31.791885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.791885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.791885 (E_RNA)
where:
Base-Base interactions energy: -4.348
where: short stacking energy: -4.330
Base-Backbone interact. energy: -1.420
local terms energy: -26.023894
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -4.526
flat angles P-C4'-P energy: 2.528
tors. eta vs tors. theta energy: 6.694
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: 3
=====================================
Write number: 335
Temperature: 3.583333
Total energy: -18.276773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.276773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.276773 (E_RNA)
where:
Base-Base interactions energy: -2.340
where: short stacking energy: -1.657
Base-Backbone interact. energy: -0.525
local terms energy: -15.412360
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -9.528
flat angles P-C4'-P energy: -1.994
tors. eta vs tors. theta energy: 17.695
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: 5
=====================================
Write number: 335
Temperature: 3.966667
Total energy: -9.868922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.868922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.868922 (E_RNA)
where:
Base-Base interactions energy: -1.688
where: short stacking energy: -1.668
Base-Backbone interact. energy: 3.027
local terms energy: -11.207783
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -8.998
flat angles C4'-P-C4' energy: 0.667
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: 16.111
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: 10, replica: 9
=====================================
Write number: 335
Temperature: 4.350000
Total energy: -1.966788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.966788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.966788 (E_RNA)
where:
Base-Base interactions energy: -1.582
where: short stacking energy: -0.485
Base-Backbone interact. energy: 0.289
local terms energy: -0.673699
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -12.096
flat angles C4'-P-C4' energy: 3.434
flat angles P-C4'-P energy: 4.201
tors. eta vs tors. theta energy: 15.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -357.709972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.709972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.709972 (E_RNA)
where:
Base-Base interactions energy: -236.784
where: short stacking energy: -117.788
Base-Backbone interact. energy: 0.054
local terms energy: -120.979388
where:
bonds (distance) C4'-P energy: -24.011
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -27.956
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -31.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 336
Temperature: 1.283333
Total energy: -181.109777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.109777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.109777 (E_RNA)
where:
Base-Base interactions energy: -108.967
where: short stacking energy: -42.262
Base-Backbone interact. energy: -0.747
local terms energy: -71.395560
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 336
Temperature: 1.666667
Total energy: -92.116347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.116347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.116347 (E_RNA)
where:
Base-Base interactions energy: -33.690
where: short stacking energy: -29.108
Base-Backbone interact. energy: -0.270
local terms energy: -58.155581
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: 5.621
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: 10
=====================================
Write number: 336
Temperature: 2.050000
Total energy: -68.068367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.068367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.068367 (E_RNA)
where:
Base-Base interactions energy: -10.110
where: short stacking energy: -10.110
Base-Backbone interact. energy: -0.671
local terms energy: -57.287181
where:
bonds (distance) C4'-P energy: -9.467
bonds (distance) P-C4' energy: -26.049
flat angles C4'-P-C4' energy: -20.446
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: 10.379
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: 4
=====================================
Write number: 336
Temperature: 2.433333
Total energy: -48.410706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.410706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.410706 (E_RNA)
where:
Base-Base interactions energy: -13.826
where: short stacking energy: -10.661
Base-Backbone interact. energy: -0.273
local terms energy: -34.311549
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -27.093
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: 1.784
tors. eta vs tors. theta energy: 18.195
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: 6, replica: 8
=====================================
Write number: 336
Temperature: 2.816667
Total energy: -47.122282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.122282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.122282 (E_RNA)
where:
Base-Base interactions energy: -17.322
where: short stacking energy: -17.622
Base-Backbone interact. energy: -0.008
local terms energy: -29.791812
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -18.295
flat angles C4'-P-C4' energy: -8.972
flat angles P-C4'-P energy: -4.356
tors. eta vs tors. theta energy: 16.193
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: 3
=====================================
Write number: 336
Temperature: 3.200000
Total energy: -23.157784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.157784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.157784 (E_RNA)
where:
Base-Base interactions energy: -18.654
where: short stacking energy: -9.110
Base-Backbone interact. energy: -1.166
local terms energy: -3.337877
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: 6.485
flat angles P-C4'-P energy: 2.711
tors. eta vs tors. theta energy: 10.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 336
Temperature: 3.583333
Total energy: -12.872354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.872354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.872354 (E_RNA)
where:
Base-Base interactions energy: -6.574
where: short stacking energy: -6.574
Base-Backbone interact. energy: 2.621
local terms energy: -8.919746
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: 1.508
flat angles P-C4'-P energy: 0.670
tors. eta vs tors. theta energy: 15.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 336
Temperature: 3.966667
Total energy: -7.708450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.708450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.708450 (E_RNA)
where:
Base-Base interactions energy: -4.597
where: short stacking energy: -3.228
Base-Backbone interact. energy: 3.653
local terms energy: -6.764918
where:
bonds (distance) C4'-P energy: -5.700
bonds (distance) P-C4' energy: -9.003
flat angles C4'-P-C4' energy: -3.360
flat angles P-C4'-P energy: -1.701
tors. eta vs tors. theta energy: 12.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 336
Temperature: 4.350000
Total energy: 2.789696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 2.789696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 2.789696 (E_RNA)
where:
Base-Base interactions energy: -10.202
where: short stacking energy: -7.220
Base-Backbone interact. energy: -0.648
local terms energy: 13.639938
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -10.832
flat angles C4'-P-C4' energy: 9.669
flat angles P-C4'-P energy: 5.079
tors. eta vs tors. theta energy: 19.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -366.002043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.002043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.002043 (E_RNA)
where:
Base-Base interactions energy: -245.010
where: short stacking energy: -107.665
Base-Backbone interact. energy: -0.426
local terms energy: -120.565734
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -26.043
flat angles C4'-P-C4' energy: -27.186
flat angles P-C4'-P energy: -18.212
tors. eta vs tors. theta energy: -27.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 337
Temperature: 1.283333
Total energy: -220.016135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.016135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.016135 (E_RNA)
where:
Base-Base interactions energy: -128.124
where: short stacking energy: -56.381
Base-Backbone interact. energy: -0.205
local terms energy: -91.687127
where:
bonds (distance) C4'-P energy: -21.859
bonds (distance) P-C4' energy: -21.772
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -14.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.666667
Total energy: -78.369024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.369024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.369024 (E_RNA)
where:
Base-Base interactions energy: -21.496
where: short stacking energy: -17.624
Base-Backbone interact. energy: 0.139
local terms energy: -57.012005
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: 6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 337
Temperature: 2.050000
Total energy: -60.725354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.725354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.725354 (E_RNA)
where:
Base-Base interactions energy: -25.076
where: short stacking energy: -16.207
Base-Backbone interact. energy: 0.442
local terms energy: -36.091187
where:
bonds (distance) C4'-P energy: -21.409
bonds (distance) P-C4' energy: -16.882
flat angles C4'-P-C4' energy: -5.315
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: 13.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 337
Temperature: 2.433333
Total energy: -41.020776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.020776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.020776 (E_RNA)
where:
Base-Base interactions energy: -12.038
where: short stacking energy: -11.524
Base-Backbone interact. energy: -0.440
local terms energy: -28.542167
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: 8.956
tors. eta vs tors. theta energy: 4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 337
Temperature: 2.816667
Total energy: -38.664850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.664850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.664850 (E_RNA)
where:
Base-Base interactions energy: -10.137
where: short stacking energy: -10.137
Base-Backbone interact. energy: 2.006
local terms energy: -30.533925
where:
bonds (distance) C4'-P energy: -22.736
bonds (distance) P-C4' energy: -5.511
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: 7.545
tors. eta vs tors. theta energy: 10.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 3.200000
Total energy: -31.000173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.000173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.000173 (E_RNA)
where:
Base-Base interactions energy: -11.853
where: short stacking energy: -13.158
Base-Backbone interact. energy: -0.442
local terms energy: -18.705629
where:
bonds (distance) C4'-P energy: -4.207
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -7.563
flat angles P-C4'-P energy: -0.631
tors. eta vs tors. theta energy: 9.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 337
Temperature: 3.583333
Total energy: -12.115819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.115819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.115819 (E_RNA)
where:
Base-Base interactions energy: 0.102
where: short stacking energy: 0.891
Base-Backbone interact. energy: -0.623
local terms energy: -11.594203
where:
bonds (distance) C4'-P energy: -5.018
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -10.234
flat angles P-C4'-P energy: 10.252
tors. eta vs tors. theta energy: 9.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 337
Temperature: 3.966667
Total energy: -5.533697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.533697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.533697 (E_RNA)
where:
Base-Base interactions energy: -1.811
where: short stacking energy: 0.500
Base-Backbone interact. energy: 6.540
local terms energy: -10.261988
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -6.609
flat angles P-C4'-P energy: 6.340
tors. eta vs tors. theta energy: 18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 337
Temperature: 4.350000
Total energy: 1.824955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.824955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.824955 (E_RNA)
where:
Base-Base interactions energy: -3.938
where: short stacking energy: -3.448
Base-Backbone interact. energy: -0.595
local terms energy: 6.357558
where:
bonds (distance) C4'-P energy: -5.830
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: 5.863
flat angles P-C4'-P energy: 3.548
tors. eta vs tors. theta energy: 14.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -363.152969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.152969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.152969 (E_RNA)
where:
Base-Base interactions energy: -248.397
where: short stacking energy: -108.312
Base-Backbone interact. energy: -0.358
local terms energy: -114.397702
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -24.286
flat angles C4'-P-C4' energy: -27.737
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -27.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 1.283333
Total energy: -225.134993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.134993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.134993 (E_RNA)
where:
Base-Base interactions energy: -136.599
where: short stacking energy: -67.436
Base-Backbone interact. energy: -0.122
local terms energy: -88.414096
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -23.169
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -17.983
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: 6
=====================================
Write number: 338
Temperature: 1.666667
Total energy: -105.473340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.473340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.473340 (E_RNA)
where:
Base-Base interactions energy: -52.760
where: short stacking energy: -48.103
Base-Backbone interact. energy: -1.292
local terms energy: -51.422051
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -4.340
tors. eta vs tors. theta energy: -0.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 338
Temperature: 2.050000
Total energy: -68.731021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.731021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.731021 (E_RNA)
where:
Base-Base interactions energy: -15.647
where: short stacking energy: -17.192
Base-Backbone interact. energy: -0.974
local terms energy: -52.110347
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -6.871
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: 4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 338
Temperature: 2.433333
Total energy: -48.197800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.197800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.197800 (E_RNA)
where:
Base-Base interactions energy: -11.708
where: short stacking energy: -12.208
Base-Backbone interact. energy: 3.013
local terms energy: -39.503590
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -4.138
tors. eta vs tors. theta energy: 11.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 338
Temperature: 2.816667
Total energy: -36.476957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.476957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.476957 (E_RNA)
where:
Base-Base interactions energy: -15.728
where: short stacking energy: -12.531
Base-Backbone interact. energy: 1.350
local terms energy: -22.099107
where:
bonds (distance) C4'-P energy: -6.190
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: 11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 338
Temperature: 3.200000
Total energy: -22.396109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.396109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.396109 (E_RNA)
where:
Base-Base interactions energy: -1.974
where: short stacking energy: -1.947
Base-Backbone interact. energy: 0.949
local terms energy: -21.370686
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: 3.064
tors. eta vs tors. theta energy: 14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 338
Temperature: 3.583333
Total energy: -19.733864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.733864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.733864 (E_RNA)
where:
Base-Base interactions energy: -1.256
where: short stacking energy: -1.256
Base-Backbone interact. energy: 0.088
local terms energy: -18.565032
where:
bonds (distance) C4'-P energy: -8.837
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: 1.215
tors. eta vs tors. theta energy: 18.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 338
Temperature: 3.966667
Total energy: -11.379723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.379723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.379723 (E_RNA)
where:
Base-Base interactions energy: -3.273
where: short stacking energy: 0.617
Base-Backbone interact. energy: 0.492
local terms energy: -8.598363
where:
bonds (distance) C4'-P energy: -8.996
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: 0.897
flat angles P-C4'-P energy: 1.297
tors. eta vs tors. theta energy: 11.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 338
Temperature: 4.350000
Total energy: -1.308316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.308316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.308316 (E_RNA)
where:
Base-Base interactions energy: -3.711
where: short stacking energy: -7.366
Base-Backbone interact. energy: 1.699
local terms energy: 0.703108
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -7.692
flat angles C4'-P-C4' energy: -2.473
flat angles P-C4'-P energy: 8.803
tors. eta vs tors. theta energy: 11.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -373.666429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.666429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.666429 (E_RNA)
where:
Base-Base interactions energy: -241.930
where: short stacking energy: -108.423
Base-Backbone interact. energy: -0.085
local terms energy: -131.651488
where:
bonds (distance) C4'-P energy: -23.608
bonds (distance) P-C4' energy: -28.852
flat angles C4'-P-C4' energy: -29.857
flat angles P-C4'-P energy: -18.772
tors. eta vs tors. theta energy: -30.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 339
Temperature: 1.283333
Total energy: -228.501771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.501771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.501771 (E_RNA)
where:
Base-Base interactions energy: -139.291
where: short stacking energy: -66.153
Base-Backbone interact. energy: -0.171
local terms energy: -89.040599
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -20.965
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -15.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 339
Temperature: 1.666667
Total energy: -89.192416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.192416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.192416 (E_RNA)
where:
Base-Base interactions energy: -30.429
where: short stacking energy: -24.031
Base-Backbone interact. energy: -1.295
local terms energy: -57.468026
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: 8.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 339
Temperature: 2.050000
Total energy: -58.877712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.877712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.877712 (E_RNA)
where:
Base-Base interactions energy: -11.488
where: short stacking energy: -11.488
Base-Backbone interact. energy: -0.700
local terms energy: -46.688776
where:
bonds (distance) C4'-P energy: -23.614
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -4.153
tors. eta vs tors. theta energy: 9.014
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: 4
=====================================
Write number: 339
Temperature: 2.433333
Total energy: -48.684771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.684771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.684771 (E_RNA)
where:
Base-Base interactions energy: -14.565
where: short stacking energy: -14.565
Base-Backbone interact. energy: 0.583
local terms energy: -34.702816
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -9.739
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: 11.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 339
Temperature: 2.816667
Total energy: -31.380258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.380258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.380258 (E_RNA)
where:
Base-Base interactions energy: -9.842
where: short stacking energy: -6.951
Base-Backbone interact. energy: -0.421
local terms energy: -21.117390
where:
bonds (distance) C4'-P energy: -6.552
bonds (distance) P-C4' energy: -20.319
flat angles C4'-P-C4' energy: -7.277
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: 18.202
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: 10
=====================================
Write number: 339
Temperature: 3.200000
Total energy: -22.705020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.705020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.705020 (E_RNA)
where:
Base-Base interactions energy: -4.567
where: short stacking energy: -6.967
Base-Backbone interact. energy: -0.275
local terms energy: -17.862390
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -1.492
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -4.991
tors. eta vs tors. theta energy: 12.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 339
Temperature: 3.583333
Total energy: -21.781850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.781850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.781850 (E_RNA)
where:
Base-Base interactions energy: 0.995
where: short stacking energy: 1.100
Base-Backbone interact. energy: -1.078
local terms energy: -21.698253
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -7.772
flat angles P-C4'-P energy: 5.904
tors. eta vs tors. theta energy: 11.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 339
Temperature: 3.966667
Total energy: -6.174360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.174360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.174360 (E_RNA)
where:
Base-Base interactions energy: -0.348
where: short stacking energy: 1.883
Base-Backbone interact. energy: -0.102
local terms energy: -5.725276
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -0.554
flat angles P-C4'-P energy: 9.876
tors. eta vs tors. theta energy: 12.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 4.350000
Total energy: -4.052462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.052462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.052462 (E_RNA)
where:
Base-Base interactions energy: 0.894
where: short stacking energy: 1.900
Base-Backbone interact. energy: -0.553
local terms energy: -4.393533
where:
bonds (distance) C4'-P energy: -6.947
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -1.209
flat angles P-C4'-P energy: 1.761
tors. eta vs tors. theta energy: 16.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -371.827514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.827514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.827514 (E_RNA)
where:
Base-Base interactions energy: -244.962
where: short stacking energy: -117.145
Base-Backbone interact. energy: -1.359
local terms energy: -125.507137
where:
bonds (distance) C4'-P energy: -27.684
bonds (distance) P-C4' energy: -25.120
flat angles C4'-P-C4' energy: -30.352
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -32.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 340
Temperature: 1.283333
Total energy: -236.853484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.853484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.853484 (E_RNA)
where:
Base-Base interactions energy: -143.466
where: short stacking energy: -61.740
Base-Backbone interact. energy: -0.214
local terms energy: -93.173680
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -26.990
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -9.493
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: 6
=====================================
Write number: 340
Temperature: 1.666667
Total energy: -94.165810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.165810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.165810 (E_RNA)
where:
Base-Base interactions energy: -25.045
where: short stacking energy: -20.343
Base-Backbone interact. energy: -0.655
local terms energy: -68.465509
where:
bonds (distance) C4'-P energy: -21.420
bonds (distance) P-C4' energy: -27.879
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: 2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 340
Temperature: 2.050000
Total energy: -62.725010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.725010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.725010 (E_RNA)
where:
Base-Base interactions energy: -12.308
where: short stacking energy: -9.907
Base-Backbone interact. energy: 0.409
local terms energy: -50.826161
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -5.243
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: 5, replica: 4
=====================================
Write number: 340
Temperature: 2.433333
Total energy: -48.843124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.843124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.843124 (E_RNA)
where:
Base-Base interactions energy: -9.866
where: short stacking energy: -8.233
Base-Backbone interact. energy: -0.320
local terms energy: -38.657052
where:
bonds (distance) C4'-P energy: -7.169
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -8.932
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: 9.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 340
Temperature: 2.816667
Total energy: -37.610997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.610997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.610997 (E_RNA)
where:
Base-Base interactions energy: -12.976
where: short stacking energy: -8.004
Base-Backbone interact. energy: 2.591
local terms energy: -27.226644
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -8.892
flat angles C4'-P-C4' energy: -9.014
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: 10.399
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: 340
Temperature: 3.200000
Total energy: -26.257042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.257042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.257042 (E_RNA)
where:
Base-Base interactions energy: -3.152
where: short stacking energy: 2.459
Base-Backbone interact. energy: 0.605
local terms energy: -23.710239
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -4.717
tors. eta vs tors. theta energy: 16.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 340
Temperature: 3.583333
Total energy: -8.253225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.253225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.253225 (E_RNA)
where:
Base-Base interactions energy: -9.373
where: short stacking energy: -2.961
Base-Backbone interact. energy: 0.479
local terms energy: 0.640608
where:
bonds (distance) C4'-P energy: -6.460
bonds (distance) P-C4' energy: -3.423
flat angles C4'-P-C4' energy: -1.427
flat angles P-C4'-P energy: -1.587
tors. eta vs tors. theta energy: 13.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 340
Temperature: 3.966667
Total energy: -3.574985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.574985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.574985 (E_RNA)
where:
Base-Base interactions energy: -3.368
where: short stacking energy: -3.668
Base-Backbone interact. energy: 0.567
local terms energy: -0.773267
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: 9.576
flat angles P-C4'-P energy: 3.988
tors. eta vs tors. theta energy: 20.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 340
Temperature: 4.350000
Total energy: -1.732079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.732079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.732079 (E_RNA)
where:
Base-Base interactions energy: -4.942
where: short stacking energy: -0.128
Base-Backbone interact. energy: 4.268
local terms energy: -1.058374
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -2.866
flat angles P-C4'-P energy: 8.131
tors. eta vs tors. theta energy: 21.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -378.447218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.447218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.447218 (E_RNA)
where:
Base-Base interactions energy: -248.193
where: short stacking energy: -117.290
Base-Backbone interact. energy: -0.190
local terms energy: -130.064156
where:
bonds (distance) C4'-P energy: -25.194
bonds (distance) P-C4' energy: -24.666
flat angles C4'-P-C4' energy: -26.416
flat angles P-C4'-P energy: -19.844
tors. eta vs tors. theta energy: -33.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 1.283333
Total energy: -234.199347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.199347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.199347 (E_RNA)
where:
Base-Base interactions energy: -149.107
where: short stacking energy: -69.918
Base-Backbone interact. energy: -0.573
local terms energy: -84.519273
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -24.314
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -14.851
tors. eta vs tors. theta energy: -14.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 341
Temperature: 1.666667
Total energy: -87.266022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.266022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.266022 (E_RNA)
where:
Base-Base interactions energy: -44.575
where: short stacking energy: -25.561
Base-Backbone interact. energy: -0.917
local terms energy: -41.773830
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -2.812
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: 5.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 341
Temperature: 2.050000
Total energy: -62.025155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.025155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.025155 (E_RNA)
where:
Base-Base interactions energy: -27.282
where: short stacking energy: -28.096
Base-Backbone interact. energy: 1.639
local terms energy: -36.382136
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -0.551
tors. eta vs tors. theta energy: 11.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 2.433333
Total energy: -42.509487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.509487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.509487 (E_RNA)
where:
Base-Base interactions energy: -11.473
where: short stacking energy: -10.743
Base-Backbone interact. energy: -0.500
local terms energy: -30.536580
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -6.875
flat angles P-C4'-P energy: 0.738
tors. eta vs tors. theta energy: 7.689
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: 7
=====================================
Write number: 341
Temperature: 2.816667
Total energy: -44.414394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.414394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.414394 (E_RNA)
where:
Base-Base interactions energy: -18.112
where: short stacking energy: -14.384
Base-Backbone interact. energy: -0.506
local terms energy: -25.796622
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: 3.989
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: 9.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 341
Temperature: 3.200000
Total energy: -26.536756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.536756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.536756 (E_RNA)
where:
Base-Base interactions energy: -3.265
where: short stacking energy: -1.864
Base-Backbone interact. energy: 0.804
local terms energy: -24.075528
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -8.944
flat angles P-C4'-P energy: -0.704
tors. eta vs tors. theta energy: 11.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 341
Temperature: 3.583333
Total energy: -10.903585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.903585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.903585 (E_RNA)
where:
Base-Base interactions energy: -4.767
where: short stacking energy: -4.402
Base-Backbone interact. energy: 0.079
local terms energy: -6.215815
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -11.579
flat angles C4'-P-C4' energy: -6.562
flat angles P-C4'-P energy: 5.313
tors. eta vs tors. theta energy: 19.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 341
Temperature: 3.966667
Total energy: -10.025706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.025706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.025706 (E_RNA)
where:
Base-Base interactions energy: -4.639
where: short stacking energy: -4.390
Base-Backbone interact. energy: 6.192
local terms energy: -11.579095
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -9.406
flat angles P-C4'-P energy: 14.421
tors. eta vs tors. theta energy: 15.958
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: 3
=====================================
Write number: 341
Temperature: 4.350000
Total energy: -9.889079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.889079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.889079 (E_RNA)
where:
Base-Base interactions energy: -7.176
where: short stacking energy: -4.394
Base-Backbone interact. energy: 5.778
local terms energy: -8.491293
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: 2.781
flat angles P-C4'-P energy: 5.752
tors. eta vs tors. theta energy: 6.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -377.815560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.815560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.815560 (E_RNA)
where:
Base-Base interactions energy: -246.262
where: short stacking energy: -113.036
Base-Backbone interact. energy: -1.231
local terms energy: -130.322821
where:
bonds (distance) C4'-P energy: -23.984
bonds (distance) P-C4' energy: -29.006
flat angles C4'-P-C4' energy: -25.983
flat angles P-C4'-P energy: -19.998
tors. eta vs tors. theta energy: -31.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 342
Temperature: 1.283333
Total energy: -184.496625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.496625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.496625 (E_RNA)
where:
Base-Base interactions energy: -106.442
where: short stacking energy: -47.047
Base-Backbone interact. energy: 0.186
local terms energy: -78.240787
where:
bonds (distance) C4'-P energy: -21.281
bonds (distance) P-C4' energy: -27.027
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -4.144
tors. eta vs tors. theta energy: -5.264
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: 3, replica: 6
=====================================
Write number: 342
Temperature: 1.666667
Total energy: -89.280531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.280531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.280531 (E_RNA)
where:
Base-Base interactions energy: -34.628
where: short stacking energy: -34.728
Base-Backbone interact. energy: -0.464
local terms energy: -54.188315
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -12.428
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 342
Temperature: 2.050000
Total energy: -75.497900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.497900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.497900 (E_RNA)
where:
Base-Base interactions energy: -13.533
where: short stacking energy: -14.933
Base-Backbone interact. energy: -0.052
local terms energy: -61.913135
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -23.771
flat angles C4'-P-C4' energy: -6.983
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: 3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 342
Temperature: 2.433333
Total energy: -57.658667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.658667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.658667 (E_RNA)
where:
Base-Base interactions energy: -9.198
where: short stacking energy: -7.672
Base-Backbone interact. energy: -0.323
local terms energy: -48.137803
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -29.034
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: 14.801
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: 6, replica: 7
=====================================
Write number: 342
Temperature: 2.816667
Total energy: -30.923076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.923076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.923076 (E_RNA)
where:
Base-Base interactions energy: -7.862
where: short stacking energy: -2.813
Base-Backbone interact. energy: 1.535
local terms energy: -24.595501
where:
bonds (distance) C4'-P energy: -22.329
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -6.408
flat angles P-C4'-P energy: 9.316
tors. eta vs tors. theta energy: 12.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 342
Temperature: 3.200000
Total energy: -21.473939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.473939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.473939 (E_RNA)
where:
Base-Base interactions energy: -7.476
where: short stacking energy: -7.450
Base-Backbone interact. energy: 2.198
local terms energy: -16.195916
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -6.215
flat angles P-C4'-P energy: -2.593
tors. eta vs tors. theta energy: 17.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 342
Temperature: 3.583333
Total energy: -13.392367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.392367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.392367 (E_RNA)
where:
Base-Base interactions energy: -2.493
where: short stacking energy: -3.306
Base-Backbone interact. energy: 5.693
local terms energy: -16.592259
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -4.145
flat angles P-C4'-P energy: 9.416
tors. eta vs tors. theta energy: 7.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 342
Temperature: 3.966667
Total energy: -5.977959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.977959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.977959 (E_RNA)
where:
Base-Base interactions energy: -8.268
where: short stacking energy: -9.013
Base-Backbone interact. energy: 0.668
local terms energy: 1.622160
where:
bonds (distance) C4'-P energy: -5.544
bonds (distance) P-C4' energy: -5.552
flat angles C4'-P-C4' energy: -4.976
flat angles P-C4'-P energy: 3.937
tors. eta vs tors. theta energy: 13.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 342
Temperature: 4.350000
Total energy: -9.001525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.001525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.001525 (E_RNA)
where:
Base-Base interactions energy: -0.420
where: short stacking energy: -0.832
Base-Backbone interact. energy: 3.353
local terms energy: -11.934342
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: 11.086
flat angles P-C4'-P energy: 1.297
tors. eta vs tors. theta energy: 8.300
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: 1, replica: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -374.644868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.644868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.644868 (E_RNA)
where:
Base-Base interactions energy: -253.189
where: short stacking energy: -114.984
Base-Backbone interact. energy: -0.082
local terms energy: -121.374505
where:
bonds (distance) C4'-P energy: -25.119
bonds (distance) P-C4' energy: -24.512
flat angles C4'-P-C4' energy: -24.952
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: -29.066
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: 2
=====================================
Write number: 343
Temperature: 1.283333
Total energy: -197.836468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.836468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.836468 (E_RNA)
where:
Base-Base interactions energy: -115.850
where: short stacking energy: -59.529
Base-Backbone interact. energy: -0.242
local terms energy: -81.744564
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -23.196
flat angles C4'-P-C4' energy: -21.110
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -11.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 343
Temperature: 1.666667
Total energy: -94.225694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.225694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.225694 (E_RNA)
where:
Base-Base interactions energy: -33.553
where: short stacking energy: -32.452
Base-Backbone interact. energy: -0.256
local terms energy: -60.416914
where:
bonds (distance) C4'-P energy: -24.663
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: 5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 343
Temperature: 2.050000
Total energy: -56.156691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.156691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.156691 (E_RNA)
where:
Base-Base interactions energy: -15.595
where: short stacking energy: -13.398
Base-Backbone interact. energy: 3.718
local terms energy: -44.278794
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -22.251
flat angles C4'-P-C4' energy: -6.374
flat angles P-C4'-P energy: -3.748
tors. eta vs tors. theta energy: 8.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 343
Temperature: 2.433333
Total energy: -48.931282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.931282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.931282 (E_RNA)
where:
Base-Base interactions energy: -18.595
where: short stacking energy: -17.595
Base-Backbone interact. energy: -1.107
local terms energy: -29.228806
where:
bonds (distance) C4'-P energy: -7.290
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -3.155
tors. eta vs tors. theta energy: 14.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 343
Temperature: 2.816667
Total energy: -38.199482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.199482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.199482 (E_RNA)
where:
Base-Base interactions energy: -14.013
where: short stacking energy: -8.825
Base-Backbone interact. energy: 0.762
local terms energy: -24.949169
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -7.732
flat angles P-C4'-P energy: -3.134
tors. eta vs tors. theta energy: 18.456
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: 7, replica: 7
=====================================
Write number: 343
Temperature: 3.200000
Total energy: -15.593908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.593908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.593908 (E_RNA)
where:
Base-Base interactions energy: -19.393
where: short stacking energy: -9.223
Base-Backbone interact. energy: 3.310
local terms energy: 0.488441
where:
bonds (distance) C4'-P energy: -8.664
bonds (distance) P-C4' energy: -9.611
flat angles C4'-P-C4' energy: 0.044
flat angles P-C4'-P energy: 8.506
tors. eta vs tors. theta energy: 10.214
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: 3
=====================================
Write number: 343
Temperature: 3.583333
Total energy: -31.834091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.834091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.834091 (E_RNA)
where:
Base-Base interactions energy: -5.821
where: short stacking energy: -1.388
Base-Backbone interact. energy: 1.462
local terms energy: -27.474709
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -1.374
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: 15.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 343
Temperature: 3.966667
Total energy: -15.323840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.323840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.323840 (E_RNA)
where:
Base-Base interactions energy: -1.621
where: short stacking energy: -2.721
Base-Backbone interact. energy: 0.225
local terms energy: -13.928386
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -3.568
flat angles P-C4'-P energy: 1.638
tors. eta vs tors. theta energy: 17.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 343
Temperature: 4.350000
Total energy: -1.356026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.356026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.356026 (E_RNA)
where:
Base-Base interactions energy: -4.598
where: short stacking energy: -2.933
Base-Backbone interact. energy: -1.097
local terms energy: 4.338713
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: 3.236
flat angles P-C4'-P energy: 7.239
tors. eta vs tors. theta energy: 21.451
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: 344
Temperature: 0.900000
Total energy: -380.776341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.776341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.776341 (E_RNA)
where:
Base-Base interactions energy: -249.627
where: short stacking energy: -118.893
Base-Backbone interact. energy: -0.138
local terms energy: -131.011201
where:
bonds (distance) C4'-P energy: -23.747
bonds (distance) P-C4' energy: -23.737
flat angles C4'-P-C4' energy: -30.316
flat angles P-C4'-P energy: -20.731
tors. eta vs tors. theta energy: -32.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 1.283333
Total energy: -198.287898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.287898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.287898 (E_RNA)
where:
Base-Base interactions energy: -112.304
where: short stacking energy: -60.067
Base-Backbone interact. energy: -0.361
local terms energy: -85.622851
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -26.748
flat angles C4'-P-C4' energy: -22.558
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 344
Temperature: 1.666667
Total energy: -93.471729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.471729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.471729 (E_RNA)
where:
Base-Base interactions energy: -30.224
where: short stacking energy: -20.439
Base-Backbone interact. energy: 0.948
local terms energy: -64.195670
where:
bonds (distance) C4'-P energy: -23.545
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: 5.658
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: 4
=====================================
Write number: 344
Temperature: 2.050000
Total energy: -67.780879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.780879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.780879 (E_RNA)
where:
Base-Base interactions energy: -11.990
where: short stacking energy: -6.144
Base-Backbone interact. energy: -0.041
local terms energy: -55.750048
where:
bonds (distance) C4'-P energy: -20.179
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: 5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 344
Temperature: 2.433333
Total energy: -39.648608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.648608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.648608 (E_RNA)
where:
Base-Base interactions energy: -9.978
where: short stacking energy: -3.116
Base-Backbone interact. energy: -0.935
local terms energy: -28.735861
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -6.643
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: 18.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 344
Temperature: 2.816667
Total energy: -48.527721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.527721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.527721 (E_RNA)
where:
Base-Base interactions energy: -6.490
where: short stacking energy: -5.761
Base-Backbone interact. energy: -0.419
local terms energy: -41.618643
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -4.357
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: 11.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 344
Temperature: 3.200000
Total energy: -22.184106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.184106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.184106 (E_RNA)
where:
Base-Base interactions energy: 0.299
where: short stacking energy: -0.337
Base-Backbone interact. energy: -0.612
local terms energy: -21.870578
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -2.422
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: 12.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 344
Temperature: 3.583333
Total energy: -17.803626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.803626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.803626 (E_RNA)
where:
Base-Base interactions energy: -1.329
where: short stacking energy: -1.329
Base-Backbone interact. energy: -0.541
local terms energy: -15.933341
where:
bonds (distance) C4'-P energy: -7.750
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -4.979
flat angles P-C4'-P energy: 5.170
tors. eta vs tors. theta energy: 7.912
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: 9, replica: 9
=====================================
Write number: 344
Temperature: 3.966667
Total energy: -3.069727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.069727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.069727 (E_RNA)
where:
Base-Base interactions energy: 0.078
where: short stacking energy: 1.145
Base-Backbone interact. energy: -0.579
local terms energy: -2.568671
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -10.829
flat angles C4'-P-C4' energy: -4.319
flat angles P-C4'-P energy: 3.631
tors. eta vs tors. theta energy: 18.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 344
Temperature: 4.350000
Total energy: -3.097753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.097753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.097753 (E_RNA)
where:
Base-Base interactions energy: -4.734
where: short stacking energy: -4.698
Base-Backbone interact. energy: 3.052
local terms energy: -1.416378
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -20.614
flat angles C4'-P-C4' energy: 0.746
flat angles P-C4'-P energy: 13.090
tors. eta vs tors. theta energy: 15.584
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: 345
Temperature: 0.900000
Total energy: -371.104014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.104014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.104014 (E_RNA)
where:
Base-Base interactions energy: -246.315
where: short stacking energy: -111.857
Base-Backbone interact. energy: -0.211
local terms energy: -124.577746
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -28.829
flat angles C4'-P-C4' energy: -26.495
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -29.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 1.283333
Total energy: -197.393483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.393483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.393483 (E_RNA)
where:
Base-Base interactions energy: -103.068
where: short stacking energy: -62.937
Base-Backbone interact. energy: -0.250
local terms energy: -94.074789
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -25.618
flat angles C4'-P-C4' energy: -23.243
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -12.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 345
Temperature: 1.666667
Total energy: -79.288417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.288417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.288417 (E_RNA)
where:
Base-Base interactions energy: -19.097
where: short stacking energy: -14.910
Base-Backbone interact. energy: -1.545
local terms energy: -58.646698
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -28.000
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: 4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 345
Temperature: 2.050000
Total energy: -61.226513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.226513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.226513 (E_RNA)
where:
Base-Base interactions energy: -13.806
where: short stacking energy: -12.001
Base-Backbone interact. energy: -0.381
local terms energy: -47.039286
where:
bonds (distance) C4'-P energy: -22.993
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -0.893
tors. eta vs tors. theta energy: 4.490
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: 4
=====================================
Write number: 345
Temperature: 2.433333
Total energy: -48.793749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.793749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.793749 (E_RNA)
where:
Base-Base interactions energy: -14.295
where: short stacking energy: -8.533
Base-Backbone interact. energy: 2.143
local terms energy: -36.641987
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -9.625
flat angles P-C4'-P energy: -4.086
tors. eta vs tors. theta energy: 7.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 345
Temperature: 2.816667
Total energy: -33.599477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.599477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.599477 (E_RNA)
where:
Base-Base interactions energy: -11.237
where: short stacking energy: -10.422
Base-Backbone interact. energy: -0.118
local terms energy: -22.244736
where:
bonds (distance) C4'-P energy: -20.306
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -0.711
flat angles P-C4'-P energy: 2.744
tors. eta vs tors. theta energy: 10.026
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: 7
=====================================
Write number: 345
Temperature: 3.200000
Total energy: -33.104835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.104835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.104835 (E_RNA)
where:
Base-Base interactions energy: -15.981
where: short stacking energy: -9.793
Base-Backbone interact. energy: 1.663
local terms energy: -18.786637
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -10.779
flat angles C4'-P-C4' energy: -0.961
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: 13.329
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: 345
Temperature: 3.583333
Total energy: -23.257904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.257904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.257904 (E_RNA)
where:
Base-Base interactions energy: -0.501
where: short stacking energy: 0.000
Base-Backbone interact. energy: 1.685
local terms energy: -24.441845
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -1.721
flat angles P-C4'-P energy: -0.304
tors. eta vs tors. theta energy: 20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 3.966667
Total energy: -7.362237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.362237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.362237 (E_RNA)
where:
Base-Base interactions energy: -3.083
where: short stacking energy: 0.100
Base-Backbone interact. energy: 4.646
local terms energy: -8.925028
where:
bonds (distance) C4'-P energy: -20.822
bonds (distance) P-C4' energy: -8.692
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: 13.308
tors. eta vs tors. theta energy: 20.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 345
Temperature: 4.350000
Total energy: -4.299361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.299361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.299361 (E_RNA)
where:
Base-Base interactions energy: -5.902
where: short stacking energy: -2.361
Base-Backbone interact. energy: -0.896
local terms energy: 2.498714
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -0.834
flat angles P-C4'-P energy: 7.362
tors. eta vs tors. theta energy: 18.015
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: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -370.194695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.194695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.194695 (E_RNA)
where:
Base-Base interactions energy: -244.644
where: short stacking energy: -111.857
Base-Backbone interact. energy: -0.298
local terms energy: -125.252737
where:
bonds (distance) C4'-P energy: -27.106
bonds (distance) P-C4' energy: -26.579
flat angles C4'-P-C4' energy: -28.130
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -28.728
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: 2
=====================================
Write number: 346
Temperature: 1.283333
Total energy: -205.728084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.728084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.728084 (E_RNA)
where:
Base-Base interactions energy: -116.171
where: short stacking energy: -70.478
Base-Backbone interact. energy: -0.264
local terms energy: -89.293137
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -23.303
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -19.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.666667
Total energy: -79.605090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.605090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.605090 (E_RNA)
where:
Base-Base interactions energy: -37.839
where: short stacking energy: -24.503
Base-Backbone interact. energy: 1.150
local terms energy: -42.916151
where:
bonds (distance) C4'-P energy: -21.891
bonds (distance) P-C4' energy: -22.734
flat angles C4'-P-C4' energy: -8.906
flat angles P-C4'-P energy: -0.382
tors. eta vs tors. theta energy: 10.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 346
Temperature: 2.050000
Total energy: -58.167821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.167821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.167821 (E_RNA)
where:
Base-Base interactions energy: -12.671
where: short stacking energy: -10.866
Base-Backbone interact. energy: 0.245
local terms energy: -45.741732
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -4.015
tors. eta vs tors. theta energy: 10.703
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: 5, replica: 4
=====================================
Write number: 346
Temperature: 2.433333
Total energy: -47.929139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.929139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.929139 (E_RNA)
where:
Base-Base interactions energy: -17.353
where: short stacking energy: -7.647
Base-Backbone interact. energy: 1.482
local terms energy: -32.058024
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -6.433
flat angles C4'-P-C4' energy: -8.576
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: 9.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 346
Temperature: 2.816667
Total energy: -35.207240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.207240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.207240 (E_RNA)
where:
Base-Base interactions energy: -2.829
where: short stacking energy: -2.631
Base-Backbone interact. energy: -0.165
local terms energy: -32.213384
where:
bonds (distance) C4'-P energy: -22.290
bonds (distance) P-C4' energy: -6.879
flat angles C4'-P-C4' energy: -8.915
flat angles P-C4'-P energy: -3.885
tors. eta vs tors. theta energy: 9.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 346
Temperature: 3.200000
Total energy: -19.729700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.729700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.729700 (E_RNA)
where:
Base-Base interactions energy: -7.315
where: short stacking energy: -6.431
Base-Backbone interact. energy: 1.574
local terms energy: -13.988069
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -5.867
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -0.191
tors. eta vs tors. theta energy: 17.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 346
Temperature: 3.583333
Total energy: -15.827166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.827166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.827166 (E_RNA)
where:
Base-Base interactions energy: -1.526
where: short stacking energy: -2.524
Base-Backbone interact. energy: 1.845
local terms energy: -16.145559
where:
bonds (distance) C4'-P energy: -6.791
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -5.414
flat angles P-C4'-P energy: -5.219
tors. eta vs tors. theta energy: 16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 346
Temperature: 3.966667
Total energy: -8.550713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.550713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.550713 (E_RNA)
where:
Base-Base interactions energy: -1.893
where: short stacking energy: -1.893
Base-Backbone interact. energy: -0.315
local terms energy: -6.342755
where:
bonds (distance) C4'-P energy: -7.819
bonds (distance) P-C4' energy: -18.356
flat angles C4'-P-C4' energy: -7.232
flat angles P-C4'-P energy: 10.590
tors. eta vs tors. theta energy: 16.474
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: 10
=====================================
Write number: 346
Temperature: 4.350000
Total energy: -10.606146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.606146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.606146 (E_RNA)
where:
Base-Base interactions energy: -5.817
where: short stacking energy: -5.817
Base-Backbone interact. energy: 5.235
local terms energy: -10.024910
where:
bonds (distance) C4'-P energy: -8.481
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: 18.670
tors. eta vs tors. theta energy: 13.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -364.121080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.121080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.121080 (E_RNA)
where:
Base-Base interactions energy: -248.148
where: short stacking energy: -109.127
Base-Backbone interact. energy: -0.141
local terms energy: -115.832367
where:
bonds (distance) C4'-P energy: -27.522
bonds (distance) P-C4' energy: -24.191
flat angles C4'-P-C4' energy: -25.907
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -24.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 347
Temperature: 1.283333
Total energy: -200.543764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.543764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.543764 (E_RNA)
where:
Base-Base interactions energy: -103.817
where: short stacking energy: -54.232
Base-Backbone interact. energy: -0.272
local terms energy: -96.454129
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -9.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.666667
Total energy: -90.860534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.860534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.860534 (E_RNA)
where:
Base-Base interactions energy: -25.486
where: short stacking energy: -22.553
Base-Backbone interact. energy: -0.377
local terms energy: -64.997949
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: 5.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 347
Temperature: 2.050000
Total energy: -63.990093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.990093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.990093 (E_RNA)
where:
Base-Base interactions energy: -19.936
where: short stacking energy: -17.752
Base-Backbone interact. energy: -1.245
local terms energy: -42.808407
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -4.552
tors. eta vs tors. theta energy: 6.145
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: 5, replica: 4
=====================================
Write number: 347
Temperature: 2.433333
Total energy: -53.260426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.260426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.260426 (E_RNA)
where:
Base-Base interactions energy: -11.430
where: short stacking energy: -5.406
Base-Backbone interact. energy: 0.350
local terms energy: -42.180540
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -21.398
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -2.090
tors. eta vs tors. theta energy: 12.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 347
Temperature: 2.816667
Total energy: -30.140900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.140900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.140900 (E_RNA)
where:
Base-Base interactions energy: -7.748
where: short stacking energy: -4.469
Base-Backbone interact. energy: 4.639
local terms energy: -27.032464
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -4.671
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: 16.567
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: 3
=====================================
Write number: 347
Temperature: 3.200000
Total energy: -21.424181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.424181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.424181 (E_RNA)
where:
Base-Base interactions energy: -7.694
where: short stacking energy: -8.969
Base-Backbone interact. energy: -0.252
local terms energy: -13.478854
where:
bonds (distance) C4'-P energy: -6.871
bonds (distance) P-C4' energy: -19.008
flat angles C4'-P-C4' energy: -8.949
flat angles P-C4'-P energy: 11.971
tors. eta vs tors. theta energy: 9.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 347
Temperature: 3.583333
Total energy: -20.271065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.271065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.271065 (E_RNA)
where:
Base-Base interactions energy: -2.931
where: short stacking energy: -1.777
Base-Backbone interact. energy: 0.012
local terms energy: -17.351970
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: 3.235
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: 13.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 347
Temperature: 3.966667
Total energy: -10.932348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.932348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.932348 (E_RNA)
where:
Base-Base interactions energy: -11.422
where: short stacking energy: -2.488
Base-Backbone interact. energy: -0.258
local terms energy: 0.747924
where:
bonds (distance) C4'-P energy: -5.493
bonds (distance) P-C4' energy: -10.254
flat angles C4'-P-C4' energy: -4.533
flat angles P-C4'-P energy: 5.595
tors. eta vs tors. theta energy: 15.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 347
Temperature: 4.350000
Total energy: -3.728963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.728963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.728963 (E_RNA)
where:
Base-Base interactions energy: -1.706
where: short stacking energy: -1.906
Base-Backbone interact. energy: 1.688
local terms energy: -3.711363
where:
bonds (distance) C4'-P energy: -5.559
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -2.443
flat angles P-C4'-P energy: 12.295
tors. eta vs tors. theta energy: 14.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -360.277488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.277488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.277488 (E_RNA)
where:
Base-Base interactions energy: -240.842
where: short stacking energy: -102.937
Base-Backbone interact. energy: -0.549
local terms energy: -118.886506
where:
bonds (distance) C4'-P energy: -25.878
bonds (distance) P-C4' energy: -25.766
flat angles C4'-P-C4' energy: -23.332
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: -28.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 1.283333
Total energy: -196.770150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.770150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.770150 (E_RNA)
where:
Base-Base interactions energy: -114.244
where: short stacking energy: -57.191
Base-Backbone interact. energy: -0.281
local terms energy: -82.245019
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -24.413
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -17.003
tors. eta vs tors. theta energy: -5.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.666667
Total energy: -80.918836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.918836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.918836 (E_RNA)
where:
Base-Base interactions energy: -24.207
where: short stacking energy: -18.115
Base-Backbone interact. energy: -1.265
local terms energy: -55.446897
where:
bonds (distance) C4'-P energy: -22.222
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: 7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 348
Temperature: 2.050000
Total energy: -63.435259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.435259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.435259 (E_RNA)
where:
Base-Base interactions energy: -20.281
where: short stacking energy: -16.723
Base-Backbone interact. energy: -1.366
local terms energy: -41.788382
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -9.709
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: 8.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 348
Temperature: 2.433333
Total energy: -44.527275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.527275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.527275 (E_RNA)
where:
Base-Base interactions energy: -12.491
where: short stacking energy: -9.887
Base-Backbone interact. energy: -0.550
local terms energy: -31.486151
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -5.373
flat angles P-C4'-P energy: -1.295
tors. eta vs tors. theta energy: 7.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 348
Temperature: 2.816667
Total energy: -36.410962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.410962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.410962 (E_RNA)
where:
Base-Base interactions energy: -20.501
where: short stacking energy: -17.901
Base-Backbone interact. energy: 5.728
local terms energy: -21.638354
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: 6.270
tors. eta vs tors. theta energy: 14.604
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: 9
=====================================
Write number: 348
Temperature: 3.200000
Total energy: -40.925177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.925177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.925177 (E_RNA)
where:
Base-Base interactions energy: -11.052
where: short stacking energy: -8.985
Base-Backbone interact. energy: 3.242
local terms energy: -33.114976
where:
bonds (distance) C4'-P energy: -22.525
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: 4.754
tors. eta vs tors. theta energy: 11.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 348
Temperature: 3.583333
Total energy: -14.565635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.565635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.565635 (E_RNA)
where:
Base-Base interactions energy: -8.043
where: short stacking energy: -7.274
Base-Backbone interact. energy: 0.856
local terms energy: -7.378536
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: 0.127
flat angles C4'-P-C4' energy: -5.577
flat angles P-C4'-P energy: 1.455
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: 9, replica: 10
=====================================
Write number: 348
Temperature: 3.966667
Total energy: -9.310959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.310959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.310959 (E_RNA)
where:
Base-Base interactions energy: -4.207
where: short stacking energy: -6.649
Base-Backbone interact. energy: 1.380
local terms energy: -6.483865
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -5.617
flat angles C4'-P-C4' energy: -4.083
flat angles P-C4'-P energy: 3.397
tors. eta vs tors. theta energy: 15.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 348
Temperature: 4.350000
Total energy: -4.274723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.274723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.274723 (E_RNA)
where:
Base-Base interactions energy: -8.606
where: short stacking energy: -3.114
Base-Backbone interact. energy: 4.369
local terms energy: -0.037383
where:
bonds (distance) C4'-P energy: -9.699
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -3.782
flat angles P-C4'-P energy: 9.371
tors. eta vs tors. theta energy: 20.464
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: 349
Temperature: 0.900000
Total energy: -365.804004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.804004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.804004 (E_RNA)
where:
Base-Base interactions energy: -247.247
where: short stacking energy: -119.288
Base-Backbone interact. energy: -0.160
local terms energy: -118.396378
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -28.001
flat angles C4'-P-C4' energy: -25.706
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -30.781
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: 349
Temperature: 1.283333
Total energy: -201.512117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.512117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.512117 (E_RNA)
where:
Base-Base interactions energy: -115.660
where: short stacking energy: -53.683
Base-Backbone interact. energy: -1.653
local terms energy: -84.199193
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -25.209
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.666667
Total energy: -84.411585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.411585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.411585 (E_RNA)
where:
Base-Base interactions energy: -26.044
where: short stacking energy: -23.740
Base-Backbone interact. energy: -0.199
local terms energy: -58.168799
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -10.625
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: 6.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 349
Temperature: 2.050000
Total energy: -63.151242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.151242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.151242 (E_RNA)
where:
Base-Base interactions energy: -21.456
where: short stacking energy: -17.001
Base-Backbone interact. energy: -0.650
local terms energy: -41.045838
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -5.613
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: 8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 349
Temperature: 2.433333
Total energy: -43.523337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.523337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.523337 (E_RNA)
where:
Base-Base interactions energy: -23.076
where: short stacking energy: -23.076
Base-Backbone interact. energy: -0.307
local terms energy: -20.140506
where:
bonds (distance) C4'-P energy: -9.381
bonds (distance) P-C4' energy: -8.847
flat angles C4'-P-C4' energy: -6.942
flat angles P-C4'-P energy: -4.382
tors. eta vs tors. theta energy: 9.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 349
Temperature: 2.816667
Total energy: -36.858990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.858990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.858990 (E_RNA)
where:
Base-Base interactions energy: -2.870
where: short stacking energy: -2.870
Base-Backbone interact. energy: 5.845
local terms energy: -39.834507
where:
bonds (distance) C4'-P energy: -21.963
bonds (distance) P-C4' energy: -18.729
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: 3.677
tors. eta vs tors. theta energy: 12.117
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: 4
=====================================
Write number: 349
Temperature: 3.200000
Total energy: -16.022375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.022375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.022375 (E_RNA)
where:
Base-Base interactions energy: -6.465
where: short stacking energy: -5.266
Base-Backbone interact. energy: 2.791
local terms energy: -12.348091
where:
bonds (distance) C4'-P energy: -5.738
bonds (distance) P-C4' energy: -10.963
flat angles C4'-P-C4' energy: -6.231
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: 19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 349
Temperature: 3.583333
Total energy: -12.880023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.880023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.880023 (E_RNA)
where:
Base-Base interactions energy: -15.773
where: short stacking energy: -0.860
Base-Backbone interact. energy: -1.385
local terms energy: 4.278292
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -6.751
flat angles C4'-P-C4' energy: -1.747
flat angles P-C4'-P energy: 13.995
tors. eta vs tors. theta energy: 12.809
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: 349
Temperature: 3.966667
Total energy: -13.605019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.605019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.605019 (E_RNA)
where:
Base-Base interactions energy: -7.274
where: short stacking energy: -7.395
Base-Backbone interact. energy: 0.155
local terms energy: -6.485767
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -4.441
flat angles C4'-P-C4' energy: -3.541
flat angles P-C4'-P energy: 4.500
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: 10, replica: 7
=====================================
Write number: 349
Temperature: 4.350000
Total energy: -0.197799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.197799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.197799 (E_RNA)
where:
Base-Base interactions energy: -0.850
where: short stacking energy: -1.429
Base-Backbone interact. energy: -0.140
local terms energy: 0.792845
where:
bonds (distance) C4'-P energy: -6.950
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: 8.065
flat angles P-C4'-P energy: 4.342
tors. eta vs tors. theta energy: 13.238
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: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -371.619643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.619643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.619643 (E_RNA)
where:
Base-Base interactions energy: -241.262
where: short stacking energy: -103.626
Base-Backbone interact. energy: -0.143
local terms energy: -130.214753
where:
bonds (distance) C4'-P energy: -28.271
bonds (distance) P-C4' energy: -27.969
flat angles C4'-P-C4' energy: -27.070
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -29.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 350
Temperature: 1.283333
Total energy: -181.844757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.844757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.844757 (E_RNA)
where:
Base-Base interactions energy: -101.304
where: short stacking energy: -58.881
Base-Backbone interact. energy: -0.205
local terms energy: -80.334861
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -17.019
tors. eta vs tors. theta energy: -13.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 350
Temperature: 1.666667
Total energy: -83.163000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.163000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.163000 (E_RNA)
where:
Base-Base interactions energy: -30.320
where: short stacking energy: -16.153
Base-Backbone interact. energy: -0.465
local terms energy: -52.377937
where:
bonds (distance) C4'-P energy: -9.711
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -21.266
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: 7.614
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: 6
=====================================
Write number: 350
Temperature: 2.050000
Total energy: -61.441684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.441684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.441684 (E_RNA)
where:
Base-Base interactions energy: -15.991
where: short stacking energy: -9.172
Base-Backbone interact. energy: -0.674
local terms energy: -44.776914
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: 6.895
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: 8
=====================================
Write number: 350
Temperature: 2.433333
Total energy: -45.397450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.397450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.397450 (E_RNA)
where:
Base-Base interactions energy: -10.240
where: short stacking energy: -8.773
Base-Backbone interact. energy: -0.382
local terms energy: -34.775600
where:
bonds (distance) C4'-P energy: -6.499
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: 11.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 350
Temperature: 2.816667
Total energy: -40.185362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.185362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.185362 (E_RNA)
where:
Base-Base interactions energy: -13.328
where: short stacking energy: -9.631
Base-Backbone interact. energy: 0.799
local terms energy: -27.656194
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -10.092
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: 11.512
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: 4
=====================================
Write number: 350
Temperature: 3.200000
Total energy: -33.815234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.815234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.815234 (E_RNA)
where:
Base-Base interactions energy: -15.375
where: short stacking energy: -15.490
Base-Backbone interact. energy: 2.600
local terms energy: -21.040436
where:
bonds (distance) C4'-P energy: -10.718
bonds (distance) P-C4' energy: -26.477
flat angles C4'-P-C4' energy: -3.621
flat angles P-C4'-P energy: 5.742
tors. eta vs tors. theta energy: 14.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 350
Temperature: 3.583333
Total energy: -14.901426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.901426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.901426 (E_RNA)
where:
Base-Base interactions energy: -3.932
where: short stacking energy: -3.221
Base-Backbone interact. energy: -0.053
local terms energy: -10.916886
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -9.050
flat angles C4'-P-C4' energy: -6.912
flat angles P-C4'-P energy: 2.747
tors. eta vs tors. theta energy: 18.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 350
Temperature: 3.966667
Total energy: -12.413766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.413766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.413766 (E_RNA)
where:
Base-Base interactions energy: -1.101
where: short stacking energy: -0.588
Base-Backbone interact. energy: 1.407
local terms energy: -12.719965
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -9.694
flat angles C4'-P-C4' energy: -7.615
flat angles P-C4'-P energy: -1.943
tors. eta vs tors. theta energy: 15.628
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: 3
=====================================
Write number: 350
Temperature: 4.350000
Total energy: -0.200333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.200333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.200333 (E_RNA)
where:
Base-Base interactions energy: 0.188
where: short stacking energy: 0.188
Base-Backbone interact. energy: -0.589
local terms energy: 0.201510
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: 0.325
flat angles C4'-P-C4' energy: 7.234
flat angles P-C4'-P energy: -5.500
tors. eta vs tors. theta energy: 14.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -377.919781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.919781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.919781 (E_RNA)
where:
Base-Base interactions energy: -252.287
where: short stacking energy: -117.034
Base-Backbone interact. energy: -0.102
local terms energy: -125.530000
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -27.030
flat angles C4'-P-C4' energy: -25.630
flat angles P-C4'-P energy: -19.929
tors. eta vs tors. theta energy: -31.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 1.283333
Total energy: -206.626890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.626890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.626890 (E_RNA)
where:
Base-Base interactions energy: -113.880
where: short stacking energy: -65.067
Base-Backbone interact. energy: -0.319
local terms energy: -92.427957
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -20.329
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -16.391
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 351
Temperature: 1.666667
Total energy: -87.034886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.034886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.034886 (E_RNA)
where:
Base-Base interactions energy: -29.788
where: short stacking energy: -26.595
Base-Backbone interact. energy: -0.528
local terms energy: -56.719621
where:
bonds (distance) C4'-P energy: -19.477
bonds (distance) P-C4' energy: -25.383
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: 9.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 351
Temperature: 2.050000
Total energy: -77.380593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.380593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.380593 (E_RNA)
where:
Base-Base interactions energy: -19.184
where: short stacking energy: -12.921
Base-Backbone interact. energy: -0.896
local terms energy: -57.301365
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -21.634
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: 4.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 351
Temperature: 2.433333
Total energy: -46.856939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.856939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.856939 (E_RNA)
where:
Base-Base interactions energy: -15.127
where: short stacking energy: -6.265
Base-Backbone interact. energy: -1.347
local terms energy: -30.383087
where:
bonds (distance) C4'-P energy: -5.900
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: 17.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 351
Temperature: 2.816667
Total energy: -35.603701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.603701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.603701 (E_RNA)
where:
Base-Base interactions energy: -9.948
where: short stacking energy: -9.948
Base-Backbone interact. energy: 0.234
local terms energy: -25.889579
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -8.228
flat angles P-C4'-P energy: -1.549
tors. eta vs tors. theta energy: 8.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 351
Temperature: 3.200000
Total energy: -29.337789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.337789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.337789 (E_RNA)
where:
Base-Base interactions energy: -6.213
where: short stacking energy: -4.599
Base-Backbone interact. energy: 0.677
local terms energy: -23.802338
where:
bonds (distance) C4'-P energy: -10.548
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -7.586
flat angles P-C4'-P energy: 1.892
tors. eta vs tors. theta energy: 10.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 351
Temperature: 3.583333
Total energy: -16.983893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.983893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.983893 (E_RNA)
where:
Base-Base interactions energy: -5.693
where: short stacking energy: -5.693
Base-Backbone interact. energy: -0.379
local terms energy: -10.912253
where:
bonds (distance) C4'-P energy: -9.094
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -4.794
flat angles P-C4'-P energy: -3.086
tors. eta vs tors. theta energy: 12.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 351
Temperature: 3.966667
Total energy: -5.705981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.705981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.705981 (E_RNA)
where:
Base-Base interactions energy: -9.669
where: short stacking energy: -7.921
Base-Backbone interact. energy: 2.384
local terms energy: 1.578947
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -5.338
flat angles C4'-P-C4' energy: 2.481
flat angles P-C4'-P energy: 13.896
tors. eta vs tors. theta energy: 11.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 351
Temperature: 4.350000
Total energy: -8.612397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.612397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.612397 (E_RNA)
where:
Base-Base interactions energy: -0.392
where: short stacking energy: 0.446
Base-Backbone interact. energy: -1.257
local terms energy: -6.963019
where:
bonds (distance) C4'-P energy: -9.456
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: 10.569
tors. eta vs tors. theta energy: 19.310
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: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -371.447757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.447757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.447757 (E_RNA)
where:
Base-Base interactions energy: -251.492
where: short stacking energy: -109.678
Base-Backbone interact. energy: 0.546
local terms energy: -120.501614
where:
bonds (distance) C4'-P energy: -25.578
bonds (distance) P-C4' energy: -26.560
flat angles C4'-P-C4' energy: -23.671
flat angles P-C4'-P energy: -15.710
tors. eta vs tors. theta energy: -28.983
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: 2
=====================================
Write number: 352
Temperature: 1.283333
Total energy: -209.921882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.921882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.921882 (E_RNA)
where:
Base-Base interactions energy: -123.225
where: short stacking energy: -55.547
Base-Backbone interact. energy: -0.528
local terms energy: -86.168412
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -24.107
flat angles C4'-P-C4' energy: -20.432
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -8.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 352
Temperature: 1.666667
Total energy: -81.971363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.971363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.971363 (E_RNA)
where:
Base-Base interactions energy: -34.372
where: short stacking energy: -33.534
Base-Backbone interact. energy: -0.819
local terms energy: -46.779738
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: 5.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 352
Temperature: 2.050000
Total energy: -60.804540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.804540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.804540 (E_RNA)
where:
Base-Base interactions energy: -2.842
where: short stacking energy: -2.752
Base-Backbone interact. energy: -0.398
local terms energy: -57.564802
where:
bonds (distance) C4'-P energy: -20.690
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: 11.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 352
Temperature: 2.433333
Total energy: -58.428309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.428309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.428309 (E_RNA)
where:
Base-Base interactions energy: -15.635
where: short stacking energy: -11.622
Base-Backbone interact. energy: -0.558
local terms energy: -42.234991
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -22.264
flat angles C4'-P-C4' energy: -4.947
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: 8.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 352
Temperature: 2.816667
Total energy: -34.092054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.092054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.092054 (E_RNA)
where:
Base-Base interactions energy: -6.615
where: short stacking energy: -4.311
Base-Backbone interact. energy: 0.689
local terms energy: -28.166504
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -3.547
flat angles P-C4'-P energy: -0.416
tors. eta vs tors. theta energy: 11.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 352
Temperature: 3.200000
Total energy: -33.239613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.239613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.239613 (E_RNA)
where:
Base-Base interactions energy: -8.934
where: short stacking energy: -8.484
Base-Backbone interact. energy: 1.420
local terms energy: -25.726278
where:
bonds (distance) C4'-P energy: -8.528
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: 0.952
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: 11.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 352
Temperature: 3.583333
Total energy: -16.739242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.739242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.739242 (E_RNA)
where:
Base-Base interactions energy: -2.065
where: short stacking energy: -2.465
Base-Backbone interact. energy: 1.538
local terms energy: -16.211691
where:
bonds (distance) C4'-P energy: -4.897
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -7.067
flat angles P-C4'-P energy: -4.163
tors. eta vs tors. theta energy: 15.845
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: 10
=====================================
Write number: 352
Temperature: 3.966667
Total energy: -10.623661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.623661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.623661 (E_RNA)
where:
Base-Base interactions energy: 0.444
where: short stacking energy: 0.444
Base-Backbone interact. energy: -0.337
local terms energy: -10.730151
where:
bonds (distance) C4'-P energy: -7.678
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: 1.546
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: 17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 352
Temperature: 4.350000
Total energy: -1.543375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.543375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.543375 (E_RNA)
where:
Base-Base interactions energy: -2.077
where: short stacking energy: -0.934
Base-Backbone interact. energy: 13.098
local terms energy: -12.563877
where:
bonds (distance) C4'-P energy: -6.101
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: 0.787
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: 19.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -373.729783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.729783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.729783 (E_RNA)
where:
Base-Base interactions energy: -245.508
where: short stacking energy: -119.041
Base-Backbone interact. energy: -0.194
local terms energy: -128.028048
where:
bonds (distance) C4'-P energy: -26.803
bonds (distance) P-C4' energy: -25.902
flat angles C4'-P-C4' energy: -27.076
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -31.108
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: 2
=====================================
Write number: 353
Temperature: 1.283333
Total energy: -206.690343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.690343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.690343 (E_RNA)
where:
Base-Base interactions energy: -125.505
where: short stacking energy: -60.174
Base-Backbone interact. energy: 2.147
local terms energy: -83.332763
where:
bonds (distance) C4'-P energy: -23.523
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -10.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 353
Temperature: 1.666667
Total energy: -96.681386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.681386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.681386 (E_RNA)
where:
Base-Base interactions energy: -33.818
where: short stacking energy: -35.118
Base-Backbone interact. energy: 0.676
local terms energy: -63.539929
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -19.036
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 353
Temperature: 2.050000
Total energy: -62.651138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.651138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.651138 (E_RNA)
where:
Base-Base interactions energy: -15.055
where: short stacking energy: -13.609
Base-Backbone interact. energy: 0.119
local terms energy: -47.714993
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -29.211
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: 2.007
tors. eta vs tors. theta energy: 9.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 353
Temperature: 2.433333
Total energy: -41.071720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.071720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.071720 (E_RNA)
where:
Base-Base interactions energy: -6.355
where: short stacking energy: -3.461
Base-Backbone interact. energy: -1.076
local terms energy: -33.640556
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -5.713
flat angles P-C4'-P energy: -2.131
tors. eta vs tors. theta energy: 1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 353
Temperature: 2.816667
Total energy: -24.778799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.778799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.778799 (E_RNA)
where:
Base-Base interactions energy: -4.673
where: short stacking energy: -4.270
Base-Backbone interact. energy: -0.428
local terms energy: -19.678158
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -5.829
flat angles C4'-P-C4' energy: -6.849
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: 16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 353
Temperature: 3.200000
Total energy: -19.921186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.921186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.921186 (E_RNA)
where:
Base-Base interactions energy: -10.197
where: short stacking energy: -9.464
Base-Backbone interact. energy: -0.971
local terms energy: -8.753698
where:
bonds (distance) C4'-P energy: -6.162
bonds (distance) P-C4' energy: -10.304
flat angles C4'-P-C4' energy: -0.335
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: 13.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 353
Temperature: 3.583333
Total energy: -18.848054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.848054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.848054 (E_RNA)
where:
Base-Base interactions energy: -0.732
where: short stacking energy: 0.679
Base-Backbone interact. energy: 0.456
local terms energy: -18.571449
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -0.626
flat angles P-C4'-P energy: 0.864
tors. eta vs tors. theta energy: 11.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 353
Temperature: 3.966667
Total energy: -8.899435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.899435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.899435 (E_RNA)
where:
Base-Base interactions energy: -6.074
where: short stacking energy: -6.874
Base-Backbone interact. energy: 7.397
local terms energy: -10.221778
where:
bonds (distance) C4'-P energy: -9.202
bonds (distance) P-C4' energy: -4.733
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: 1.634
tors. eta vs tors. theta energy: 11.564
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: 3
=====================================
Write number: 353
Temperature: 4.350000
Total energy: 3.108801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 3.108801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 3.108801 (E_RNA)
where:
Base-Base interactions energy: -1.578
where: short stacking energy: -1.309
Base-Backbone interact. energy: 6.684
local terms energy: -1.997010
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -0.028
flat angles P-C4'-P energy: 5.597
tors. eta vs tors. theta energy: 17.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -365.881541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.881541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.881541 (E_RNA)
where:
Base-Base interactions energy: -249.691
where: short stacking energy: -113.761
Base-Backbone interact. energy: -0.053
local terms energy: -116.137737
where:
bonds (distance) C4'-P energy: -23.437
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -26.534
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -30.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 354
Temperature: 1.283333
Total energy: -179.805239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.805239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.805239 (E_RNA)
where:
Base-Base interactions energy: -97.998
where: short stacking energy: -53.359
Base-Backbone interact. energy: -0.076
local terms energy: -81.731035
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -23.297
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: -3.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 354
Temperature: 1.666667
Total energy: -101.299816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.299816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.299816 (E_RNA)
where:
Base-Base interactions energy: -47.506
where: short stacking energy: -19.918
Base-Backbone interact. energy: 0.031
local terms energy: -53.824836
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: 6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 354
Temperature: 2.050000
Total energy: -58.711105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.711105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.711105 (E_RNA)
where:
Base-Base interactions energy: -21.806
where: short stacking energy: -21.085
Base-Backbone interact. energy: -0.241
local terms energy: -36.664200
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -4.603
flat angles P-C4'-P energy: 4.310
tors. eta vs tors. theta energy: -0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 354
Temperature: 2.433333
Total energy: -67.566471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.566471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.566471 (E_RNA)
where:
Base-Base interactions energy: -15.309
where: short stacking energy: -15.609
Base-Backbone interact. energy: -0.326
local terms energy: -51.931146
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -4.694
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: 4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 354
Temperature: 2.816667
Total energy: -37.975587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.975587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.975587 (E_RNA)
where:
Base-Base interactions energy: -14.212
where: short stacking energy: -11.417
Base-Backbone interact. energy: 0.730
local terms energy: -24.493784
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -8.651
flat angles C4'-P-C4' energy: -3.866
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: 9.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 354
Temperature: 3.200000
Total energy: -30.465424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.465424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.465424 (E_RNA)
where:
Base-Base interactions energy: -7.755
where: short stacking energy: -4.120
Base-Backbone interact. energy: 0.391
local terms energy: -23.101373
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -11.263
flat angles C4'-P-C4' energy: 0.801
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: 8.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 354
Temperature: 3.583333
Total energy: -19.302657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.302657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.302657 (E_RNA)
where:
Base-Base interactions energy: -2.461
where: short stacking energy: -2.100
Base-Backbone interact. energy: 5.166
local terms energy: -22.007190
where:
bonds (distance) C4'-P energy: -1.350
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -1.823
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: 14.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 354
Temperature: 3.966667
Total energy: -6.409712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.409712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.409712 (E_RNA)
where:
Base-Base interactions energy: -0.883
where: short stacking energy: -0.064
Base-Backbone interact. energy: 3.132
local terms energy: -8.657983
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -5.388
flat angles C4'-P-C4' energy: -4.613
flat angles P-C4'-P energy: 3.881
tors. eta vs tors. theta energy: 16.319
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: 7
=====================================
Write number: 354
Temperature: 4.350000
Total energy: -1.591667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.591667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.591667 (E_RNA)
where:
Base-Base interactions energy: -4.661
where: short stacking energy: -2.616
Base-Backbone interact. energy: 3.212
local terms energy: -0.142468
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: 4.756
flat angles P-C4'-P energy: -0.199
tors. eta vs tors. theta energy: 24.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -358.401705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.401705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.401705 (E_RNA)
where:
Base-Base interactions energy: -243.495
where: short stacking energy: -107.322
Base-Backbone interact. energy: -0.217
local terms energy: -114.689768
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -23.666
flat angles C4'-P-C4' energy: -27.877
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -25.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 355
Temperature: 1.283333
Total energy: -192.034282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.034282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.034282 (E_RNA)
where:
Base-Base interactions energy: -112.375
where: short stacking energy: -63.361
Base-Backbone interact. energy: 0.992
local terms energy: -80.650911
where:
bonds (distance) C4'-P energy: -24.099
bonds (distance) P-C4' energy: -21.549
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -6.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 355
Temperature: 1.666667
Total energy: -84.231914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.231914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.231914 (E_RNA)
where:
Base-Base interactions energy: -32.216
where: short stacking energy: -30.237
Base-Backbone interact. energy: -0.031
local terms energy: -51.984634
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -3.350
tors. eta vs tors. theta energy: 7.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 355
Temperature: 2.050000
Total energy: -52.677531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.677531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.677531 (E_RNA)
where:
Base-Base interactions energy: -13.253
where: short stacking energy: -11.234
Base-Backbone interact. energy: 2.131
local terms energy: -41.555290
where:
bonds (distance) C4'-P energy: -23.650
bonds (distance) P-C4' energy: -19.564
flat angles C4'-P-C4' energy: -7.516
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: 14.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 355
Temperature: 2.433333
Total energy: -46.831535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.831535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.831535 (E_RNA)
where:
Base-Base interactions energy: -13.377
where: short stacking energy: -10.244
Base-Backbone interact. energy: 1.065
local terms energy: -34.520055
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -8.924
flat angles C4'-P-C4' energy: -1.411
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: 8.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 355
Temperature: 2.816667
Total energy: -36.461654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.461654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.461654 (E_RNA)
where:
Base-Base interactions energy: -10.247
where: short stacking energy: -2.407
Base-Backbone interact. energy: 2.174
local terms energy: -28.388574
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -6.776
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: 13.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 355
Temperature: 3.200000
Total energy: -28.118119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.118119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.118119 (E_RNA)
where:
Base-Base interactions energy: -15.463
where: short stacking energy: -14.095
Base-Backbone interact. energy: 0.375
local terms energy: -13.030201
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -7.615
flat angles P-C4'-P energy: 7.929
tors. eta vs tors. theta energy: 13.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 355
Temperature: 3.583333
Total energy: -16.992093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.992093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.992093 (E_RNA)
where:
Base-Base interactions energy: -0.400
where: short stacking energy: -0.400
Base-Backbone interact. energy: 4.555
local terms energy: -21.147617
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -10.014
flat angles P-C4'-P energy: 0.764
tors. eta vs tors. theta energy: 17.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 355
Temperature: 3.966667
Total energy: -11.052319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.052319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.052319 (E_RNA)
where:
Base-Base interactions energy: -0.278
where: short stacking energy: 0.642
Base-Backbone interact. energy: 2.969
local terms energy: -13.743536
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -20.800
flat angles C4'-P-C4' energy: 5.402
flat angles P-C4'-P energy: 2.220
tors. eta vs tors. theta energy: 11.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 355
Temperature: 4.350000
Total energy: 2.158263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 2.158263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 2.158263 (E_RNA)
where:
Base-Base interactions energy: -2.182
where: short stacking energy: -3.468
Base-Backbone interact. energy: -0.592
local terms energy: 4.932374
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -5.631
flat angles C4'-P-C4' energy: 4.676
flat angles P-C4'-P energy: 3.430
tors. eta vs tors. theta energy: 16.577
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: 356
Temperature: 0.900000
Total energy: -362.401175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.401175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.401175 (E_RNA)
where:
Base-Base interactions energy: -248.624
where: short stacking energy: -118.078
Base-Backbone interact. energy: -0.101
local terms energy: -113.676000
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -28.551
flat angles P-C4'-P energy: -16.653
tors. eta vs tors. theta energy: -28.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 1.283333
Total energy: -171.972851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.972851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.972851 (E_RNA)
where:
Base-Base interactions energy: -96.149
where: short stacking energy: -53.427
Base-Backbone interact. energy: -0.850
local terms energy: -74.973973
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -23.382
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -4.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.666667
Total energy: -102.972884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.972884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.972884 (E_RNA)
where:
Base-Base interactions energy: -30.485
where: short stacking energy: -25.800
Base-Backbone interact. energy: -0.296
local terms energy: -72.192045
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -26.469
flat angles C4'-P-C4' energy: -21.892
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 356
Temperature: 2.050000
Total energy: -59.185627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.185627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.185627 (E_RNA)
where:
Base-Base interactions energy: -11.783
where: short stacking energy: -11.783
Base-Backbone interact. energy: 0.452
local terms energy: -47.855147
where:
bonds (distance) C4'-P energy: -24.070
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -6.608
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: 12.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 356
Temperature: 2.433333
Total energy: -52.037527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.037527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.037527 (E_RNA)
where:
Base-Base interactions energy: -5.756
where: short stacking energy: -5.590
Base-Backbone interact. energy: 1.459
local terms energy: -47.739969
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: 5.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 356
Temperature: 2.816667
Total energy: -33.815954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.815954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.815954 (E_RNA)
where:
Base-Base interactions energy: -5.740
where: short stacking energy: -1.483
Base-Backbone interact. energy: 0.629
local terms energy: -28.705120
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -5.308
tors. eta vs tors. theta energy: 12.825
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: 3
=====================================
Write number: 356
Temperature: 3.200000
Total energy: -26.528652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.528652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.528652 (E_RNA)
where:
Base-Base interactions energy: -3.938
where: short stacking energy: -2.484
Base-Backbone interact. energy: 4.221
local terms energy: -26.811874
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -7.739
flat angles P-C4'-P energy: -2.537
tors. eta vs tors. theta energy: 13.058
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: 356
Temperature: 3.583333
Total energy: -16.194957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.194957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.194957 (E_RNA)
where:
Base-Base interactions energy: -6.980
where: short stacking energy: -3.146
Base-Backbone interact. energy: 5.332
local terms energy: -14.546282
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -2.082
flat angles P-C4'-P energy: -0.210
tors. eta vs tors. theta energy: 19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 3.966667
Total energy: -18.589604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.589604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.589604 (E_RNA)
where:
Base-Base interactions energy: -7.309
where: short stacking energy: -7.213
Base-Backbone interact. energy: -0.013
local terms energy: -11.267142
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -11.245
flat angles C4'-P-C4' energy: -1.158
flat angles P-C4'-P energy: 10.340
tors. eta vs tors. theta energy: 5.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 356
Temperature: 4.350000
Total energy: -1.687072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.687072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.687072 (E_RNA)
where:
Base-Base interactions energy: -3.187
where: short stacking energy: -4.146
Base-Backbone interact. energy: -0.707
local terms energy: 2.206478
where:
bonds (distance) C4'-P energy: -2.387
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -4.706
flat angles P-C4'-P energy: 5.295
tors. eta vs tors. theta energy: 19.586
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: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -362.052703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.052703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.052703 (E_RNA)
where:
Base-Base interactions energy: -238.444
where: short stacking energy: -105.574
Base-Backbone interact. energy: -1.180
local terms energy: -122.428180
where:
bonds (distance) C4'-P energy: -25.986
bonds (distance) P-C4' energy: -27.016
flat angles C4'-P-C4' energy: -26.309
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -27.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 1.283333
Total energy: -126.120288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.120288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.120288 (E_RNA)
where:
Base-Base interactions energy: -55.301
where: short stacking energy: -44.859
Base-Backbone interact. energy: -0.357
local terms energy: -70.462195
where:
bonds (distance) C4'-P energy: -22.944
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -5.730
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: 8
=====================================
Write number: 357
Temperature: 1.666667
Total energy: -85.928288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.928288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.928288 (E_RNA)
where:
Base-Base interactions energy: -26.661
where: short stacking energy: -23.678
Base-Backbone interact. energy: 0.389
local terms energy: -59.656903
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -18.934
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: 6.355
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: 9
=====================================
Write number: 357
Temperature: 2.050000
Total energy: -61.434104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.434104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.434104 (E_RNA)
where:
Base-Base interactions energy: -15.974
where: short stacking energy: -8.444
Base-Backbone interact. energy: 2.502
local terms energy: -47.962078
where:
bonds (distance) C4'-P energy: -23.299
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: 14.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 357
Temperature: 2.433333
Total energy: -49.083067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.083067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.083067 (E_RNA)
where:
Base-Base interactions energy: -11.158
where: short stacking energy: -7.542
Base-Backbone interact. energy: 3.712
local terms energy: -41.637784
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: 14.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 2.816667
Total energy: -38.980201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.980201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.980201 (E_RNA)
where:
Base-Base interactions energy: -8.775
where: short stacking energy: -5.470
Base-Backbone interact. energy: -0.350
local terms energy: -29.855076
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -7.802
flat angles P-C4'-P energy: -1.724
tors. eta vs tors. theta energy: 15.538
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: 5
=====================================
Write number: 357
Temperature: 3.200000
Total energy: -30.868661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.868661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.868661 (E_RNA)
where:
Base-Base interactions energy: -8.423
where: short stacking energy: -5.162
Base-Backbone interact. energy: -0.334
local terms energy: -22.111175
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -18.736
flat angles C4'-P-C4' energy: 0.507
flat angles P-C4'-P energy: -0.313
tors. eta vs tors. theta energy: 14.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 357
Temperature: 3.583333
Total energy: -17.943237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.943237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.943237 (E_RNA)
where:
Base-Base interactions energy: -4.493
where: short stacking energy: -5.181
Base-Backbone interact. energy: 0.274
local terms energy: -13.723709
where:
bonds (distance) C4'-P energy: -3.664
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -2.198
flat angles P-C4'-P energy: -3.075
tors. eta vs tors. theta energy: 8.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 357
Temperature: 3.966667
Total energy: -7.709121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.709121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.709121 (E_RNA)
where:
Base-Base interactions energy: -5.287
where: short stacking energy: -5.019
Base-Backbone interact. energy: -0.643
local terms energy: -1.779411
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: 5.419
flat angles P-C4'-P energy: 10.205
tors. eta vs tors. theta energy: 15.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 4.350000
Total energy: 3.092252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 3.092252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 3.092252 (E_RNA)
where:
Base-Base interactions energy: -8.262
where: short stacking energy: -5.527
Base-Backbone interact. energy: 7.934
local terms energy: 3.420028
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: 9.118
flat angles P-C4'-P energy: 4.041
tors. eta vs tors. theta energy: 12.636
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: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -355.462152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.462152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.462152 (E_RNA)
where:
Base-Base interactions energy: -239.043
where: short stacking energy: -107.148
Base-Backbone interact. energy: -0.115
local terms energy: -116.304460
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -25.775
flat angles C4'-P-C4' energy: -29.257
flat angles P-C4'-P energy: -17.553
tors. eta vs tors. theta energy: -27.504
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: 2
=====================================
Write number: 358
Temperature: 1.283333
Total energy: -128.975992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.975992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.975992 (E_RNA)
where:
Base-Base interactions energy: -60.193
where: short stacking energy: -58.123
Base-Backbone interact. energy: 0.881
local terms energy: -69.664575
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -9.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.666667
Total energy: -97.960455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.960455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.960455 (E_RNA)
where:
Base-Base interactions energy: -36.902
where: short stacking energy: -35.906
Base-Backbone interact. energy: -0.388
local terms energy: -60.670371
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -21.881
flat angles C4'-P-C4' energy: -20.579
flat angles P-C4'-P energy: -5.889
tors. eta vs tors. theta energy: -0.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 358
Temperature: 2.050000
Total energy: -64.483145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.483145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.483145 (E_RNA)
where:
Base-Base interactions energy: -25.513
where: short stacking energy: -20.178
Base-Backbone interact. energy: 3.667
local terms energy: -42.636371
where:
bonds (distance) C4'-P energy: -8.538
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: 7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 358
Temperature: 2.433333
Total energy: -54.524771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.524771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.524771 (E_RNA)
where:
Base-Base interactions energy: -9.721
where: short stacking energy: -9.721
Base-Backbone interact. energy: -0.188
local terms energy: -44.615959
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -2.750
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: 6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 358
Temperature: 2.816667
Total energy: -34.280814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.280814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.280814 (E_RNA)
where:
Base-Base interactions energy: -6.963
where: short stacking energy: -5.194
Base-Backbone interact. energy: -0.685
local terms energy: -26.632364
where:
bonds (distance) C4'-P energy: -7.644
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -2.340
tors. eta vs tors. theta energy: 9.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 358
Temperature: 3.200000
Total energy: -21.876647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.876647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.876647 (E_RNA)
where:
Base-Base interactions energy: -10.959
where: short stacking energy: -3.353
Base-Backbone interact. energy: 6.212
local terms energy: -17.129165
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -9.662
flat angles C4'-P-C4' energy: -7.467
flat angles P-C4'-P energy: -2.381
tors. eta vs tors. theta energy: 15.884
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: 5
=====================================
Write number: 358
Temperature: 3.583333
Total energy: -27.675246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.675246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.675246 (E_RNA)
where:
Base-Base interactions energy: -4.519
where: short stacking energy: -3.881
Base-Backbone interact. energy: -0.230
local terms energy: -22.926147
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -6.433
flat angles P-C4'-P energy: 0.999
tors. eta vs tors. theta energy: 17.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 358
Temperature: 3.966667
Total energy: -9.314603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.314603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.314603 (E_RNA)
where:
Base-Base interactions energy: -2.560
where: short stacking energy: 0.000
Base-Backbone interact. energy: 1.891
local terms energy: -8.645626
where:
bonds (distance) C4'-P energy: -7.999
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -1.900
flat angles P-C4'-P energy: -5.060
tors. eta vs tors. theta energy: 19.417
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: 7
=====================================
Write number: 358
Temperature: 4.350000
Total energy: -1.070901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.070901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.070901 (E_RNA)
where:
Base-Base interactions energy: -0.026
where: short stacking energy: -0.026
Base-Backbone interact. energy: 5.459
local terms energy: -6.504399
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -2.910
flat angles C4'-P-C4' energy: -8.186
flat angles P-C4'-P energy: 6.500
tors. eta vs tors. theta energy: 16.574
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: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -358.062651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.062651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.062651 (E_RNA)
where:
Base-Base interactions energy: -242.102
where: short stacking energy: -113.394
Base-Backbone interact. energy: -0.728
local terms energy: -115.233241
where:
bonds (distance) C4'-P energy: -28.788
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -26.543
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -21.627
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: 2
=====================================
Write number: 359
Temperature: 1.283333
Total energy: -127.412817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.412817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.412817 (E_RNA)
where:
Base-Base interactions energy: -47.579
where: short stacking energy: -34.805
Base-Backbone interact. energy: -1.531
local terms energy: -78.303547
where:
bonds (distance) C4'-P energy: -22.377
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 359
Temperature: 1.666667
Total energy: -90.581158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.581158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.581158 (E_RNA)
where:
Base-Base interactions energy: -18.604
where: short stacking energy: -16.014
Base-Backbone interact. energy: 2.086
local terms energy: -74.063477
where:
bonds (distance) C4'-P energy: -19.956
bonds (distance) P-C4' energy: -26.635
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 359
Temperature: 2.050000
Total energy: -71.725475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.725475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.725475 (E_RNA)
where:
Base-Base interactions energy: -25.133
where: short stacking energy: -25.375
Base-Backbone interact. energy: -0.626
local terms energy: -45.967067
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: 5.487
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: 359
Temperature: 2.433333
Total energy: -41.589681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.589681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.589681 (E_RNA)
where:
Base-Base interactions energy: -7.892
where: short stacking energy: -8.802
Base-Backbone interact. energy: -0.655
local terms energy: -33.042893
where:
bonds (distance) C4'-P energy: -20.954
bonds (distance) P-C4' energy: -6.321
flat angles C4'-P-C4' energy: -9.224
flat angles P-C4'-P energy: -1.225
tors. eta vs tors. theta energy: 4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 2.816667
Total energy: -41.299603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.299603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.299603 (E_RNA)
where:
Base-Base interactions energy: -14.783
where: short stacking energy: -13.803
Base-Backbone interact. energy: -0.789
local terms energy: -25.727197
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -8.215
flat angles C4'-P-C4' energy: -9.920
flat angles P-C4'-P energy: -4.213
tors. eta vs tors. theta energy: 12.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 359
Temperature: 3.200000
Total energy: -20.618332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.618332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.618332 (E_RNA)
where:
Base-Base interactions energy: -2.237
where: short stacking energy: -1.603
Base-Backbone interact. energy: 3.545
local terms energy: -21.927225
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -6.598
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: 13.543
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: 8, replica: 6
=====================================
Write number: 359
Temperature: 3.583333
Total energy: -13.850405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.850405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.850405 (E_RNA)
where:
Base-Base interactions energy: -2.862
where: short stacking energy: -1.845
Base-Backbone interact. energy: 3.352
local terms energy: -14.340138
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -0.317
flat angles P-C4'-P energy: 1.150
tors. eta vs tors. theta energy: 11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 359
Temperature: 3.966667
Total energy: -7.282880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.282880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.282880 (E_RNA)
where:
Base-Base interactions energy: -1.905
where: short stacking energy: -1.845
Base-Backbone interact. energy: 6.935
local terms energy: -12.312861
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: 5.663
flat angles P-C4'-P energy: -0.998
tors. eta vs tors. theta energy: 16.172
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: 7
=====================================
Write number: 359
Temperature: 4.350000
Total energy: -2.524278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.524278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.524278 (E_RNA)
where:
Base-Base interactions energy: -2.163
where: short stacking energy: -2.863
Base-Backbone interact. energy: -0.255
local terms energy: -0.106819
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -8.455
flat angles C4'-P-C4' energy: 13.694
flat angles P-C4'-P energy: 5.855
tors. eta vs tors. theta energy: 11.820
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: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -355.690999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.690999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.690999 (E_RNA)
where:
Base-Base interactions energy: -243.302
where: short stacking energy: -106.713
Base-Backbone interact. energy: -0.580
local terms energy: -111.809595
where:
bonds (distance) C4'-P energy: -22.489
bonds (distance) P-C4' energy: -25.412
flat angles C4'-P-C4' energy: -27.476
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -23.010
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: 2
=====================================
Write number: 360
Temperature: 1.283333
Total energy: -143.678184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.678184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.678184 (E_RNA)
where:
Base-Base interactions energy: -61.136
where: short stacking energy: -48.361
Base-Backbone interact. energy: -0.595
local terms energy: -81.947675
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -4.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.666667
Total energy: -89.803425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.803425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.803425 (E_RNA)
where:
Base-Base interactions energy: -20.765
where: short stacking energy: -20.765
Base-Backbone interact. energy: -0.436
local terms energy: -68.602146
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -23.221
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -16.824
tors. eta vs tors. theta energy: 3.377
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: 9
=====================================
Write number: 360
Temperature: 2.050000
Total energy: -63.740132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.740132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.740132 (E_RNA)
where:
Base-Base interactions energy: -20.014
where: short stacking energy: -15.091
Base-Backbone interact. energy: -1.430
local terms energy: -42.296034
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -1.235
tors. eta vs tors. theta energy: 7.927
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: 10
=====================================
Write number: 360
Temperature: 2.433333
Total energy: -42.348389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.348389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.348389 (E_RNA)
where:
Base-Base interactions energy: -13.945
where: short stacking energy: -10.432
Base-Backbone interact. energy: 0.222
local terms energy: -28.624996
where:
bonds (distance) C4'-P energy: -7.281
bonds (distance) P-C4' energy: -27.745
flat angles C4'-P-C4' energy: -9.141
flat angles P-C4'-P energy: 3.891
tors. eta vs tors. theta energy: 11.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 2.816667
Total energy: -30.361865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.361865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.361865 (E_RNA)
where:
Base-Base interactions energy: -12.240
where: short stacking energy: -7.880
Base-Backbone interact. energy: 4.470
local terms energy: -22.591289
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -9.365
flat angles C4'-P-C4' energy: -1.673
flat angles P-C4'-P energy: -6.942
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: 7, replica: 6
=====================================
Write number: 360
Temperature: 3.200000
Total energy: -25.155635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.155635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.155635 (E_RNA)
where:
Base-Base interactions energy: -6.593
where: short stacking energy: -5.498
Base-Backbone interact. energy: 2.038
local terms energy: -20.600923
where:
bonds (distance) C4'-P energy: -7.550
bonds (distance) P-C4' energy: -11.727
flat angles C4'-P-C4' energy: -4.648
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: 9.377
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: 8, replica: 4
=====================================
Write number: 360
Temperature: 3.583333
Total energy: -21.671328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.671328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.671328 (E_RNA)
where:
Base-Base interactions energy: -15.000
where: short stacking energy: -13.488
Base-Backbone interact. energy: 0.343
local terms energy: -7.014376
where:
bonds (distance) C4'-P energy: -7.493
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: 3.593
flat angles P-C4'-P energy: -3.590
tors. eta vs tors. theta energy: 17.558
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: 7
=====================================
Write number: 360
Temperature: 3.966667
Total energy: -6.566788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.566788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.566788 (E_RNA)
where:
Base-Base interactions energy: -9.799
where: short stacking energy: -9.266
Base-Backbone interact. energy: -0.199
local terms energy: 3.430850
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -7.680
flat angles C4'-P-C4' energy: 10.112
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: 13.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 360
Temperature: 4.350000
Total energy: -1.155915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.155915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.155915 (E_RNA)
where:
Base-Base interactions energy: 2.304
where: short stacking energy: 2.600
Base-Backbone interact. energy: 1.932
local terms energy: -5.391088
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -6.750
flat angles C4'-P-C4' energy: 0.730
flat angles P-C4'-P energy: 2.951
tors. eta vs tors. theta energy: 14.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -371.269052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.269052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.269052 (E_RNA)
where:
Base-Base interactions energy: -247.712
where: short stacking energy: -121.333
Base-Backbone interact. energy: -0.008
local terms energy: -123.549060
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -21.551
flat angles C4'-P-C4' energy: -28.019
flat angles P-C4'-P energy: -19.900
tors. eta vs tors. theta energy: -32.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 1.283333
Total energy: -129.304703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.304703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.304703 (E_RNA)
where:
Base-Base interactions energy: -51.980
where: short stacking energy: -51.135
Base-Backbone interact. energy: -0.153
local terms energy: -77.171553
where:
bonds (distance) C4'-P energy: -22.592
bonds (distance) P-C4' energy: -27.967
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -3.135
tors. eta vs tors. theta energy: -5.225
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: 3, replica: 8
=====================================
Write number: 361
Temperature: 1.666667
Total energy: -97.538861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.538861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.538861 (E_RNA)
where:
Base-Base interactions energy: -37.675
where: short stacking energy: -23.008
Base-Backbone interact. energy: -0.258
local terms energy: -59.606377
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -26.997
flat angles C4'-P-C4' energy: -6.851
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: 1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 361
Temperature: 2.050000
Total energy: -63.657461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.657461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.657461 (E_RNA)
where:
Base-Base interactions energy: -15.973
where: short stacking energy: -13.788
Base-Backbone interact. energy: 1.040
local terms energy: -48.724611
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 361
Temperature: 2.433333
Total energy: -49.342237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.342237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.342237 (E_RNA)
where:
Base-Base interactions energy: -6.523
where: short stacking energy: -7.939
Base-Backbone interact. energy: -0.547
local terms energy: -42.272570
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -2.041
tors. eta vs tors. theta energy: 9.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 361
Temperature: 2.816667
Total energy: -38.929519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.929519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.929519 (E_RNA)
where:
Base-Base interactions energy: -8.179
where: short stacking energy: -5.570
Base-Backbone interact. energy: 2.148
local terms energy: -32.898618
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -3.009
tors. eta vs tors. theta energy: 17.802
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: 3
=====================================
Write number: 361
Temperature: 3.200000
Total energy: -24.767766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.767766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.767766 (E_RNA)
where:
Base-Base interactions energy: -13.408
where: short stacking energy: -10.581
Base-Backbone interact. energy: -0.754
local terms energy: -10.605705
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -9.611
flat angles C4'-P-C4' energy: 5.344
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: 13.194
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: 8, replica: 7
=====================================
Write number: 361
Temperature: 3.583333
Total energy: -10.568722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.568722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.568722 (E_RNA)
where:
Base-Base interactions energy: 0.658
where: short stacking energy: -0.342
Base-Backbone interact. energy: 1.915
local terms energy: -13.141981
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -0.106
flat angles P-C4'-P energy: 0.135
tors. eta vs tors. theta energy: 21.157
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: 4
=====================================
Write number: 361
Temperature: 3.966667
Total energy: -3.512299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.512299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.512299 (E_RNA)
where:
Base-Base interactions energy: -2.942
where: short stacking energy: -1.038
Base-Backbone interact. energy: 1.245
local terms energy: -1.815218
where:
bonds (distance) C4'-P energy: -4.765
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: 2.626
flat angles P-C4'-P energy: 2.579
tors. eta vs tors. theta energy: 12.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 361
Temperature: 4.350000
Total energy: -2.638641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.638641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.638641 (E_RNA)
where:
Base-Base interactions energy: -6.259
where: short stacking energy: -0.783
Base-Backbone interact. energy: -0.565
local terms energy: 4.185306
where:
bonds (distance) C4'-P energy: -1.309
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -1.280
flat angles P-C4'-P energy: 7.516
tors. eta vs tors. theta energy: 10.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -364.942190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.942190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.942190 (E_RNA)
where:
Base-Base interactions energy: -241.908
where: short stacking energy: -104.078
Base-Backbone interact. energy: -0.176
local terms energy: -122.859089
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -24.916
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -19.682
tors. eta vs tors. theta energy: -34.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 1.283333
Total energy: -140.340336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.340336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.340336 (E_RNA)
where:
Base-Base interactions energy: -66.413
where: short stacking energy: -66.413
Base-Backbone interact. energy: -0.122
local terms energy: -73.805176
where:
bonds (distance) C4'-P energy: -22.847
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 362
Temperature: 1.666667
Total energy: -89.737773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.737773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.737773 (E_RNA)
where:
Base-Base interactions energy: -25.791
where: short stacking energy: -22.551
Base-Backbone interact. energy: -0.145
local terms energy: -63.802377
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -22.068
flat angles C4'-P-C4' energy: -22.292
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: 3.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 362
Temperature: 2.050000
Total energy: -60.015998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.015998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.015998 (E_RNA)
where:
Base-Base interactions energy: -12.475
where: short stacking energy: -10.686
Base-Backbone interact. energy: 1.243
local terms energy: -48.783895
where:
bonds (distance) C4'-P energy: -24.505
bonds (distance) P-C4' energy: -25.642
flat angles C4'-P-C4' energy: -7.906
flat angles P-C4'-P energy: -4.661
tors. eta vs tors. theta energy: 13.931
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: 6
=====================================
Write number: 362
Temperature: 2.433333
Total energy: -46.535757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.535757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.535757 (E_RNA)
where:
Base-Base interactions energy: -14.253
where: short stacking energy: -14.253
Base-Backbone interact. energy: -0.360
local terms energy: -31.923609
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -10.037
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: 17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 362
Temperature: 2.816667
Total energy: -30.557271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.557271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.557271 (E_RNA)
where:
Base-Base interactions energy: -20.884
where: short stacking energy: -14.616
Base-Backbone interact. energy: -0.528
local terms energy: -9.145308
where:
bonds (distance) C4'-P energy: -7.729
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: 7.505
flat angles P-C4'-P energy: -1.491
tors. eta vs tors. theta energy: 5.985
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: 362
Temperature: 3.200000
Total energy: -18.710365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.710365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.710365 (E_RNA)
where:
Base-Base interactions energy: -7.149
where: short stacking energy: -6.516
Base-Backbone interact. energy: 3.744
local terms energy: -15.305293
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -7.849
flat angles P-C4'-P energy: 7.679
tors. eta vs tors. theta energy: 11.696
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: 3
=====================================
Write number: 362
Temperature: 3.583333
Total energy: -9.989227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.989227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.989227 (E_RNA)
where:
Base-Base interactions energy: -6.946
where: short stacking energy: -6.047
Base-Backbone interact. energy: -1.068
local terms energy: -1.974437
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: 2.267
flat angles P-C4'-P energy: 6.499
tors. eta vs tors. theta energy: 19.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 362
Temperature: 3.966667
Total energy: -1.227319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.227319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.227319 (E_RNA)
where:
Base-Base interactions energy: -0.419
where: short stacking energy: -0.419
Base-Backbone interact. energy: -0.216
local terms energy: -0.592150
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -3.092
flat angles C4'-P-C4' energy: -3.514
flat angles P-C4'-P energy: 9.030
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: 4
=====================================
Write number: 362
Temperature: 4.350000
Total energy: -3.831935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.831935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.831935 (E_RNA)
where:
Base-Base interactions energy: -7.375
where: short stacking energy: -0.354
Base-Backbone interact. energy: 9.059
local terms energy: -5.516524
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -1.600
flat angles P-C4'-P energy: 0.013
tors. eta vs tors. theta energy: 18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -375.577909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.577909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.577909 (E_RNA)
where:
Base-Base interactions energy: -246.310
where: short stacking energy: -121.607
Base-Backbone interact. energy: -0.117
local terms energy: -129.150968
where:
bonds (distance) C4'-P energy: -25.199
bonds (distance) P-C4' energy: -28.143
flat angles C4'-P-C4' energy: -28.815
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -31.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 363
Temperature: 1.283333
Total energy: -131.640403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.640403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.640403 (E_RNA)
where:
Base-Base interactions energy: -49.571
where: short stacking energy: -43.666
Base-Backbone interact. energy: -0.311
local terms energy: -81.758426
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -25.316
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.666667
Total energy: -83.565944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.565944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.565944 (E_RNA)
where:
Base-Base interactions energy: -35.587
where: short stacking energy: -31.127
Base-Backbone interact. energy: -0.312
local terms energy: -47.666765
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -25.049
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -2.365
tors. eta vs tors. theta energy: 3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 363
Temperature: 2.050000
Total energy: -57.886031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.886031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.886031 (E_RNA)
where:
Base-Base interactions energy: -8.859
where: short stacking energy: -7.178
Base-Backbone interact. energy: -0.856
local terms energy: -48.170707
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -20.031
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: 13.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 363
Temperature: 2.433333
Total energy: -50.681577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.681577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.681577 (E_RNA)
where:
Base-Base interactions energy: -22.987
where: short stacking energy: -21.772
Base-Backbone interact. energy: -0.239
local terms energy: -27.455716
where:
bonds (distance) C4'-P energy: -7.715
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -8.557
flat angles P-C4'-P energy: -0.501
tors. eta vs tors. theta energy: 1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 363
Temperature: 2.816667
Total energy: -36.889772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.889772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.889772 (E_RNA)
where:
Base-Base interactions energy: -9.305
where: short stacking energy: -4.111
Base-Backbone interact. energy: -0.295
local terms energy: -27.289441
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -2.960
flat angles P-C4'-P energy: -3.286
tors. eta vs tors. theta energy: 9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 363
Temperature: 3.200000
Total energy: -27.780944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.780944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.780944 (E_RNA)
where:
Base-Base interactions energy: -8.613
where: short stacking energy: -5.845
Base-Backbone interact. energy: -0.546
local terms energy: -18.622256
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: 1.143
tors. eta vs tors. theta energy: 16.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 363
Temperature: 3.583333
Total energy: -14.866421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.866421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.866421 (E_RNA)
where:
Base-Base interactions energy: -7.904
where: short stacking energy: -7.522
Base-Backbone interact. energy: 1.956
local terms energy: -8.918245
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -1.678
flat angles C4'-P-C4' energy: -1.705
flat angles P-C4'-P energy: 3.666
tors. eta vs tors. theta energy: 9.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 363
Temperature: 3.966667
Total energy: -6.938671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.938671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.938671 (E_RNA)
where:
Base-Base interactions energy: -1.410
where: short stacking energy: 1.474
Base-Backbone interact. energy: 1.899
local terms energy: -7.427749
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -1.583
flat angles P-C4'-P energy: 5.716
tors. eta vs tors. theta energy: 16.159
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: 4
=====================================
Write number: 363
Temperature: 4.350000
Total energy: -11.123030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.123030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.123030 (E_RNA)
where:
Base-Base interactions energy: -3.763
where: short stacking energy: -4.563
Base-Backbone interact. energy: 5.561
local terms energy: -12.920567
where:
bonds (distance) C4'-P energy: -9.214
bonds (distance) P-C4' energy: -6.021
flat angles C4'-P-C4' energy: -4.805
flat angles P-C4'-P energy: -4.428
tors. eta vs tors. theta energy: 11.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -374.586495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.586495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.586495 (E_RNA)
where:
Base-Base interactions energy: -266.696
where: short stacking energy: -116.912
Base-Backbone interact. energy: -0.701
local terms energy: -107.189262
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -27.796
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -28.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 1.283333
Total energy: -133.199305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.199305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.199305 (E_RNA)
where:
Base-Base interactions energy: -60.854
where: short stacking energy: -47.395
Base-Backbone interact. energy: -0.301
local terms energy: -72.044951
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -23.345
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: 0.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 364
Temperature: 1.666667
Total energy: -77.818030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.818030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.818030 (E_RNA)
where:
Base-Base interactions energy: -16.859
where: short stacking energy: -13.726
Base-Backbone interact. energy: -0.173
local terms energy: -60.785641
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -24.280
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: 4.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 364
Temperature: 2.050000
Total energy: -57.706784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.706784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.706784 (E_RNA)
where:
Base-Base interactions energy: -14.628
where: short stacking energy: -8.224
Base-Backbone interact. energy: 1.059
local terms energy: -44.137493
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -7.889
flat angles P-C4'-P energy: -10.608
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: 5, replica: 10
=====================================
Write number: 364
Temperature: 2.433333
Total energy: -55.616177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.616177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.616177 (E_RNA)
where:
Base-Base interactions energy: -11.688
where: short stacking energy: -13.001
Base-Backbone interact. energy: -0.622
local terms energy: -43.306177
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -27.568
flat angles C4'-P-C4' energy: -8.906
flat angles P-C4'-P energy: 4.909
tors. eta vs tors. theta energy: 5.920
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: 6
=====================================
Write number: 364
Temperature: 2.816667
Total energy: -41.534595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.534595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.534595 (E_RNA)
where:
Base-Base interactions energy: -17.704
where: short stacking energy: -16.426
Base-Backbone interact. energy: 7.028
local terms energy: -30.858615
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: 16.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 364
Temperature: 3.200000
Total energy: -17.133536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.133536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.133536 (E_RNA)
where:
Base-Base interactions energy: -10.574
where: short stacking energy: -7.378
Base-Backbone interact. energy: -0.396
local terms energy: -6.163326
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: 1.205
flat angles P-C4'-P energy: 3.706
tors. eta vs tors. theta energy: 14.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 364
Temperature: 3.583333
Total energy: -16.433535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.433535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.433535 (E_RNA)
where:
Base-Base interactions energy: -15.897
where: short stacking energy: -15.886
Base-Backbone interact. energy: 0.014
local terms energy: -0.550721
where:
bonds (distance) C4'-P energy: -9.005
bonds (distance) P-C4' energy: -0.924
flat angles C4'-P-C4' energy: 4.888
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: 10.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 364
Temperature: 3.966667
Total energy: -29.947966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.947966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.947966 (E_RNA)
where:
Base-Base interactions energy: -14.691
where: short stacking energy: -10.762
Base-Backbone interact. energy: -0.513
local terms energy: -14.744389
where:
bonds (distance) C4'-P energy: -5.644
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -4.165
flat angles P-C4'-P energy: -2.666
tors. eta vs tors. theta energy: 11.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 364
Temperature: 4.350000
Total energy: -4.917088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.917088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.917088 (E_RNA)
where:
Base-Base interactions energy: -0.588
where: short stacking energy: -1.980
Base-Backbone interact. energy: -1.333
local terms energy: -2.996044
where:
bonds (distance) C4'-P energy: -9.257
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: 2.087
flat angles P-C4'-P energy: 3.298
tors. eta vs tors. theta energy: 11.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -375.945965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.945965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.945965 (E_RNA)
where:
Base-Base interactions energy: -253.286
where: short stacking energy: -119.090
Base-Backbone interact. energy: -0.416
local terms energy: -122.244718
where:
bonds (distance) C4'-P energy: -22.571
bonds (distance) P-C4' energy: -23.615
flat angles C4'-P-C4' energy: -26.710
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -34.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 365
Temperature: 1.283333
Total energy: -133.538985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.538985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.538985 (E_RNA)
where:
Base-Base interactions energy: -46.205
where: short stacking energy: -36.336
Base-Backbone interact. energy: -0.616
local terms energy: -86.718662
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -24.977
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -15.397
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: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.666667
Total energy: -87.313085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.313085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.313085 (E_RNA)
where:
Base-Base interactions energy: -28.859
where: short stacking energy: -25.396
Base-Backbone interact. energy: -0.589
local terms energy: -57.864728
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -24.965
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -2.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 365
Temperature: 2.050000
Total energy: -76.804266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.804266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.804266 (E_RNA)
where:
Base-Base interactions energy: -32.002
where: short stacking energy: -19.186
Base-Backbone interact. energy: 0.323
local terms energy: -45.125796
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -8.807
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: 2.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 365
Temperature: 2.433333
Total energy: -42.596289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.596289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.596289 (E_RNA)
where:
Base-Base interactions energy: -9.224
where: short stacking energy: -4.976
Base-Backbone interact. energy: 2.837
local terms energy: -36.208408
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -2.793
tors. eta vs tors. theta energy: 16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 365
Temperature: 2.816667
Total energy: -34.704779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.704779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.704779 (E_RNA)
where:
Base-Base interactions energy: -11.529
where: short stacking energy: -11.529
Base-Backbone interact. energy: 2.054
local terms energy: -25.229143
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -7.210
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: 12.336
tors. eta vs tors. theta energy: 8.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 365
Temperature: 3.200000
Total energy: -26.516263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.516263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.516263 (E_RNA)
where:
Base-Base interactions energy: 0.633
where: short stacking energy: 1.525
Base-Backbone interact. energy: -0.379
local terms energy: -26.770749
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -1.478
flat angles P-C4'-P energy: -4.153
tors. eta vs tors. theta energy: 12.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 365
Temperature: 3.583333
Total energy: -24.365758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.365758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.365758 (E_RNA)
where:
Base-Base interactions energy: -4.610
where: short stacking energy: -4.610
Base-Backbone interact. energy: -0.145
local terms energy: -19.611126
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -9.248
flat angles P-C4'-P energy: 1.129
tors. eta vs tors. theta energy: 13.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 365
Temperature: 3.966667
Total energy: -8.801290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.801290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.801290 (E_RNA)
where:
Base-Base interactions energy: -2.089
where: short stacking energy: 0.012
Base-Backbone interact. energy: 1.251
local terms energy: -7.962795
where:
bonds (distance) C4'-P energy: 2.537
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -4.515
flat angles P-C4'-P energy: -4.584
tors. eta vs tors. theta energy: 16.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 365
Temperature: 4.350000
Total energy: -0.341465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.341465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.341465 (E_RNA)
where:
Base-Base interactions energy: -1.017
where: short stacking energy: 0.000
Base-Backbone interact. energy: 2.773
local terms energy: -2.097424
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -6.346
flat angles C4'-P-C4' energy: -4.980
flat angles P-C4'-P energy: 2.953
tors. eta vs tors. theta energy: 16.212
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: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -377.658263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.658263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.658263 (E_RNA)
where:
Base-Base interactions energy: -248.776
where: short stacking energy: -114.095
Base-Backbone interact. energy: -0.118
local terms energy: -128.764416
where:
bonds (distance) C4'-P energy: -24.112
bonds (distance) P-C4' energy: -27.806
flat angles C4'-P-C4' energy: -27.832
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -33.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 366
Temperature: 1.283333
Total energy: -142.850134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.850134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.850134 (E_RNA)
where:
Base-Base interactions energy: -64.634
where: short stacking energy: -58.455
Base-Backbone interact. energy: 0.353
local terms energy: -78.569464
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -23.329
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -5.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 366
Temperature: 1.666667
Total energy: -81.919452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.919452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.919452 (E_RNA)
where:
Base-Base interactions energy: -27.470
where: short stacking energy: -19.151
Base-Backbone interact. energy: -0.829
local terms energy: -53.620997
where:
bonds (distance) C4'-P energy: -23.404
bonds (distance) P-C4' energy: -10.916
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: 4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 366
Temperature: 2.050000
Total energy: -64.029527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.029527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.029527 (E_RNA)
where:
Base-Base interactions energy: -11.459
where: short stacking energy: -6.561
Base-Backbone interact. energy: 0.100
local terms energy: -52.671221
where:
bonds (distance) C4'-P energy: -24.686
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: 8.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 366
Temperature: 2.433333
Total energy: -61.595709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.595709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.595709 (E_RNA)
where:
Base-Base interactions energy: -23.940
where: short stacking energy: -20.470
Base-Backbone interact. energy: 5.038
local terms energy: -42.693972
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -22.715
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: 15.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 366
Temperature: 2.816667
Total energy: -35.964594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.964594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.964594 (E_RNA)
where:
Base-Base interactions energy: -16.521
where: short stacking energy: -10.685
Base-Backbone interact. energy: 1.435
local terms energy: -20.877721
where:
bonds (distance) C4'-P energy: -3.982
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: 11.352
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: 6
=====================================
Write number: 366
Temperature: 3.200000
Total energy: -29.955945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.955945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.955945 (E_RNA)
where:
Base-Base interactions energy: -6.595
where: short stacking energy: -3.401
Base-Backbone interact. energy: 2.132
local terms energy: -25.493112
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -7.931
flat angles P-C4'-P energy: 2.375
tors. eta vs tors. theta energy: 18.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 3.583333
Total energy: -13.891517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.891517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.891517 (E_RNA)
where:
Base-Base interactions energy: -3.256
where: short stacking energy: -3.174
Base-Backbone interact. energy: 6.107
local terms energy: -16.742182
where:
bonds (distance) C4'-P energy: -5.606
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -3.983
tors. eta vs tors. theta energy: 20.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 366
Temperature: 3.966667
Total energy: -7.044550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.044550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.044550 (E_RNA)
where:
Base-Base interactions energy: -7.634
where: short stacking energy: -6.983
Base-Backbone interact. energy: 0.406
local terms energy: 0.183422
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -1.605
flat angles C4'-P-C4' energy: 0.703
flat angles P-C4'-P energy: -0.800
tors. eta vs tors. theta energy: 16.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 366
Temperature: 4.350000
Total energy: -4.816618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.816618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.816618 (E_RNA)
where:
Base-Base interactions energy: -2.938
where: short stacking energy: -0.524
Base-Backbone interact. energy: -0.513
local terms energy: -1.366388
where:
bonds (distance) C4'-P energy: -6.377
bonds (distance) P-C4' energy: 0.829
flat angles C4'-P-C4' energy: -7.398
flat angles P-C4'-P energy: -2.614
tors. eta vs tors. theta energy: 14.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -367.372983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.372983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.372983 (E_RNA)
where:
Base-Base interactions energy: -242.923
where: short stacking energy: -110.189
Base-Backbone interact. energy: -0.106
local terms energy: -124.343926
where:
bonds (distance) C4'-P energy: -26.031
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -24.178
flat angles P-C4'-P energy: -19.978
tors. eta vs tors. theta energy: -31.139
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: 2
=====================================
Write number: 367
Temperature: 1.283333
Total energy: -140.305713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.305713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.305713 (E_RNA)
where:
Base-Base interactions energy: -57.202
where: short stacking energy: -50.386
Base-Backbone interact. energy: 0.312
local terms energy: -83.415873
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -24.161
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.666667
Total energy: -89.690487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.690487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.690487 (E_RNA)
where:
Base-Base interactions energy: -31.480
where: short stacking energy: -31.480
Base-Backbone interact. energy: -0.255
local terms energy: -57.955626
where:
bonds (distance) C4'-P energy: -20.914
bonds (distance) P-C4' energy: -25.480
flat angles C4'-P-C4' energy: -7.323
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: 4.879
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: 10
=====================================
Write number: 367
Temperature: 2.050000
Total energy: -62.148933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.148933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.148933 (E_RNA)
where:
Base-Base interactions energy: -16.717
where: short stacking energy: -5.817
Base-Backbone interact. energy: -0.959
local terms energy: -44.472746
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -1.201
tors. eta vs tors. theta energy: 2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 367
Temperature: 2.433333
Total energy: -49.449569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.449569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.449569 (E_RNA)
where:
Base-Base interactions energy: -13.282
where: short stacking energy: -12.456
Base-Backbone interact. energy: 0.577
local terms energy: -36.744616
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -3.430
tors. eta vs tors. theta energy: 12.204
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: 9
=====================================
Write number: 367
Temperature: 2.816667
Total energy: -33.271474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.271474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.271474 (E_RNA)
where:
Base-Base interactions energy: -0.430
where: short stacking energy: -0.289
Base-Backbone interact. energy: 1.659
local terms energy: -34.499706
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -22.145
flat angles C4'-P-C4' energy: -4.981
flat angles P-C4'-P energy: -0.791
tors. eta vs tors. theta energy: 13.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 367
Temperature: 3.200000
Total energy: -24.717024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.717024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.717024 (E_RNA)
where:
Base-Base interactions energy: -6.917
where: short stacking energy: -1.990
Base-Backbone interact. energy: -0.529
local terms energy: -17.271248
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -9.608
flat angles P-C4'-P energy: 2.662
tors. eta vs tors. theta energy: 20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 367
Temperature: 3.583333
Total energy: -21.096218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.096218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.096218 (E_RNA)
where:
Base-Base interactions energy: -9.878
where: short stacking energy: -9.799
Base-Backbone interact. energy: 0.733
local terms energy: -11.950989
where:
bonds (distance) C4'-P energy: -8.508
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -1.672
flat angles P-C4'-P energy: 1.471
tors. eta vs tors. theta energy: 13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 367
Temperature: 3.966667
Total energy: -10.097867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.097867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.097867 (E_RNA)
where:
Base-Base interactions energy: -1.780
where: short stacking energy: 0.000
Base-Backbone interact. energy: -1.208
local terms energy: -7.109910
where:
bonds (distance) C4'-P energy: -8.180
bonds (distance) P-C4' energy: -6.391
flat angles C4'-P-C4' energy: -4.036
flat angles P-C4'-P energy: 3.048
tors. eta vs tors. theta energy: 8.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 367
Temperature: 4.350000
Total energy: -5.048575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.048575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.048575 (E_RNA)
where:
Base-Base interactions energy: 1.728
where: short stacking energy: 2.600
Base-Backbone interact. energy: 0.802
local terms energy: -7.578834
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -8.479
flat angles C4'-P-C4' energy: 0.828
flat angles P-C4'-P energy: -0.506
tors. eta vs tors. theta energy: 13.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -375.606653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.606653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.606653 (E_RNA)
where:
Base-Base interactions energy: -246.009
where: short stacking energy: -119.778
Base-Backbone interact. energy: -0.459
local terms energy: -129.138436
where:
bonds (distance) C4'-P energy: -25.993
bonds (distance) P-C4' energy: -26.921
flat angles C4'-P-C4' energy: -25.252
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: -33.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 368
Temperature: 1.283333
Total energy: -197.268480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.268480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.268480 (E_RNA)
where:
Base-Base interactions energy: -108.349
where: short stacking energy: -56.604
Base-Backbone interact. energy: -0.468
local terms energy: -88.451507
where:
bonds (distance) C4'-P energy: -23.059
bonds (distance) P-C4' energy: -24.476
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -16.186
tors. eta vs tors. theta energy: -7.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 368
Temperature: 1.666667
Total energy: -108.976386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.976386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.976386 (E_RNA)
where:
Base-Base interactions energy: -41.152
where: short stacking energy: -27.608
Base-Backbone interact. energy: 0.803
local terms energy: -68.628114
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -24.768
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 368
Temperature: 2.050000
Total energy: -68.091821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.091821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.091821 (E_RNA)
where:
Base-Base interactions energy: -18.123
where: short stacking energy: -13.644
Base-Backbone interact. energy: -0.208
local terms energy: -49.761097
where:
bonds (distance) C4'-P energy: -8.240
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -22.864
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: 8.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 368
Temperature: 2.433333
Total energy: -46.955579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.955579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.955579 (E_RNA)
where:
Base-Base interactions energy: -8.618
where: short stacking energy: -7.198
Base-Backbone interact. energy: 0.264
local terms energy: -38.601387
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -19.814
flat angles C4'-P-C4' energy: -8.694
flat angles P-C4'-P energy: -1.517
tors. eta vs tors. theta energy: 7.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 368
Temperature: 2.816667
Total energy: -41.562002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.562002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.562002 (E_RNA)
where:
Base-Base interactions energy: -14.043
where: short stacking energy: -8.347
Base-Backbone interact. energy: -0.391
local terms energy: -27.127490
where:
bonds (distance) C4'-P energy: -4.074
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -8.929
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: 12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 368
Temperature: 3.200000
Total energy: -23.737031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.737031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.737031 (E_RNA)
where:
Base-Base interactions energy: -11.877
where: short stacking energy: -8.704
Base-Backbone interact. energy: 1.816
local terms energy: -13.676062
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -2.455
flat angles C4'-P-C4' energy: 2.198
flat angles P-C4'-P energy: -2.112
tors. eta vs tors. theta energy: 4.204
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: 6
=====================================
Write number: 368
Temperature: 3.583333
Total energy: -18.410145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.410145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.410145 (E_RNA)
where:
Base-Base interactions energy: -1.471
where: short stacking energy: 0.000
Base-Backbone interact. energy: 2.608
local terms energy: -19.547193
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -4.599
flat angles P-C4'-P energy: -2.013
tors. eta vs tors. theta energy: 14.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 368
Temperature: 3.966667
Total energy: -1.398344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.398344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.398344 (E_RNA)
where:
Base-Base interactions energy: 0.589
where: short stacking energy: 0.479
Base-Backbone interact. energy: 3.442
local terms energy: -5.429403
where:
bonds (distance) C4'-P energy: -0.548
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -4.065
flat angles P-C4'-P energy: -3.156
tors. eta vs tors. theta energy: 14.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 368
Temperature: 4.350000
Total energy: -0.811216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.811216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.811216 (E_RNA)
where:
Base-Base interactions energy: -3.029
where: short stacking energy: -1.820
Base-Backbone interact. energy: -1.007
local terms energy: 3.224037
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -5.045
flat angles C4'-P-C4' energy: 4.960
flat angles P-C4'-P energy: -3.309
tors. eta vs tors. theta energy: 19.222
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: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -368.914684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.914684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.914684 (E_RNA)
where:
Base-Base interactions energy: -243.242
where: short stacking energy: -127.248
Base-Backbone interact. energy: -0.404
local terms energy: -125.268360
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -27.678
flat angles C4'-P-C4' energy: -24.510
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: -35.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 1.283333
Total energy: -190.017486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.017486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.017486 (E_RNA)
where:
Base-Base interactions energy: -102.628
where: short stacking energy: -62.133
Base-Backbone interact. energy: -0.432
local terms energy: -86.956704
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -24.250
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 369
Temperature: 1.666667
Total energy: -79.999744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.999744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.999744 (E_RNA)
where:
Base-Base interactions energy: -18.985
where: short stacking energy: -18.261
Base-Backbone interact. energy: -0.417
local terms energy: -60.597228
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: 0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 369
Temperature: 2.050000
Total energy: -60.183273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.183273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.183273 (E_RNA)
where:
Base-Base interactions energy: -17.631
where: short stacking energy: -16.649
Base-Backbone interact. energy: -0.654
local terms energy: -41.898896
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -1.982
tors. eta vs tors. theta energy: 11.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 369
Temperature: 2.433333
Total energy: -45.410015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.410015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.410015 (E_RNA)
where:
Base-Base interactions energy: -18.673
where: short stacking energy: -16.527
Base-Backbone interact. energy: 2.954
local terms energy: -29.691249
where:
bonds (distance) C4'-P energy: -6.206
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: 10.293
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: 369
Temperature: 2.816667
Total energy: -34.400882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.400882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.400882 (E_RNA)
where:
Base-Base interactions energy: -2.440
where: short stacking energy: -1.144
Base-Backbone interact. energy: 0.193
local terms energy: -32.154132
where:
bonds (distance) C4'-P energy: -24.624
bonds (distance) P-C4' energy: -7.034
flat angles C4'-P-C4' energy: -5.405
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: 12.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 369
Temperature: 3.200000
Total energy: -20.104753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.104753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.104753 (E_RNA)
where:
Base-Base interactions energy: -5.110
where: short stacking energy: -3.855
Base-Backbone interact. energy: 4.901
local terms energy: -19.895474
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -11.201
flat angles C4'-P-C4' energy: -10.561
flat angles P-C4'-P energy: 3.344
tors. eta vs tors. theta energy: 13.776
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: 8, replica: 3
=====================================
Write number: 369
Temperature: 3.583333
Total energy: -20.630396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.630396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.630396 (E_RNA)
where:
Base-Base interactions energy: -3.617
where: short stacking energy: -4.300
Base-Backbone interact. energy: 0.125
local terms energy: -17.137659
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -8.896
flat angles C4'-P-C4' energy: -5.785
flat angles P-C4'-P energy: -2.918
tors. eta vs tors. theta energy: 13.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 369
Temperature: 3.966667
Total energy: -8.965618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.965618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.965618 (E_RNA)
where:
Base-Base interactions energy: -1.817
where: short stacking energy: -1.109
Base-Backbone interact. energy: 3.184
local terms energy: -10.332897
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: 8.330
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: 18.492
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: 10, replica: 4
=====================================
Write number: 369
Temperature: 4.350000
Total energy: -4.632150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.632150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.632150 (E_RNA)
where:
Base-Base interactions energy: -1.451
where: short stacking energy: 1.142
Base-Backbone interact. energy: 5.132
local terms energy: -8.312864
where:
bonds (distance) C4'-P energy: 4.016
bonds (distance) P-C4' energy: -19.845
flat angles C4'-P-C4' energy: -1.538
flat angles P-C4'-P energy: -3.479
tors. eta vs tors. theta energy: 12.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -369.083734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.083734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.083734 (E_RNA)
where:
Base-Base interactions energy: -238.948
where: short stacking energy: -117.093
Base-Backbone interact. energy: -1.600
local terms energy: -128.535457
where:
bonds (distance) C4'-P energy: -22.455
bonds (distance) P-C4' energy: -27.989
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -17.803
tors. eta vs tors. theta energy: -34.438
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: 2
=====================================
Write number: 370
Temperature: 1.283333
Total energy: -200.259911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.259911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.259911 (E_RNA)
where:
Base-Base interactions energy: -121.089
where: short stacking energy: -52.773
Base-Backbone interact. energy: -1.127
local terms energy: -78.044430
where:
bonds (distance) C4'-P energy: -27.098
bonds (distance) P-C4' energy: -24.261
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: 1.942
tors. eta vs tors. theta energy: -11.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 370
Temperature: 1.666667
Total energy: -91.663863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.663863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.663863 (E_RNA)
where:
Base-Base interactions energy: -30.115
where: short stacking energy: -25.570
Base-Backbone interact. energy: 0.221
local terms energy: -61.770105
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: 7.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 370
Temperature: 2.050000
Total energy: -65.741937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.741937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.741937 (E_RNA)
where:
Base-Base interactions energy: -20.562
where: short stacking energy: -23.015
Base-Backbone interact. energy: -1.537
local terms energy: -43.643327
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: 5.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 370
Temperature: 2.433333
Total energy: -45.106420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.106420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.106420 (E_RNA)
where:
Base-Base interactions energy: -11.891
where: short stacking energy: -6.314
Base-Backbone interact. energy: 0.616
local terms energy: -33.831198
where:
bonds (distance) C4'-P energy: -18.987
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -0.952
tors. eta vs tors. theta energy: 15.116
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: 7
=====================================
Write number: 370
Temperature: 2.816667
Total energy: -41.213697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.213697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.213697 (E_RNA)
where:
Base-Base interactions energy: -6.204
where: short stacking energy: -0.017
Base-Backbone interact. energy: -0.424
local terms energy: -34.586006
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: 22.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 370
Temperature: 3.200000
Total energy: -23.042740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.042740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.042740 (E_RNA)
where:
Base-Base interactions energy: -5.642
where: short stacking energy: -2.436
Base-Backbone interact. energy: 2.477
local terms energy: -19.877863
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -5.499
flat angles P-C4'-P energy: -1.518
tors. eta vs tors. theta energy: 18.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 370
Temperature: 3.583333
Total energy: -15.757920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.757920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.757920 (E_RNA)
where:
Base-Base interactions energy: -0.134
where: short stacking energy: -0.291
Base-Backbone interact. energy: 6.443
local terms energy: -22.066593
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: 3.367
flat angles P-C4'-P energy: -4.533
tors. eta vs tors. theta energy: 15.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 370
Temperature: 3.966667
Total energy: -20.576671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.576671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.576671 (E_RNA)
where:
Base-Base interactions energy: -6.047
where: short stacking energy: -2.293
Base-Backbone interact. energy: 3.234
local terms energy: -17.763929
where:
bonds (distance) C4'-P energy: -16.832
bonds (distance) P-C4' energy: -8.383
flat angles C4'-P-C4' energy: -6.518
flat angles P-C4'-P energy: 1.367
tors. eta vs tors. theta energy: 12.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 370
Temperature: 4.350000
Total energy: 3.350909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 3.350909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 3.350909 (E_RNA)
where:
Base-Base interactions energy: 0.478
where: short stacking energy: 0.381
Base-Backbone interact. energy: 0.957
local terms energy: 1.915972
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -9.359
flat angles C4'-P-C4' energy: -0.870
flat angles P-C4'-P energy: 7.645
tors. eta vs tors. theta energy: 20.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -372.696285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.696285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.696285 (E_RNA)
where:
Base-Base interactions energy: -247.060
where: short stacking energy: -121.612
Base-Backbone interact. energy: 0.071
local terms energy: -125.706371
where:
bonds (distance) C4'-P energy: -27.083
bonds (distance) P-C4' energy: -22.756
flat angles C4'-P-C4' energy: -25.494
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -36.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 1.283333
Total energy: -202.967946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.967946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.967946 (E_RNA)
where:
Base-Base interactions energy: -120.494
where: short stacking energy: -58.645
Base-Backbone interact. energy: -1.606
local terms energy: -80.868159
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -24.122
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -7.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.666667
Total energy: -82.516025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.516025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.516025 (E_RNA)
where:
Base-Base interactions energy: -27.228
where: short stacking energy: -26.681
Base-Backbone interact. energy: -0.327
local terms energy: -54.960485
where:
bonds (distance) C4'-P energy: -17.052
bonds (distance) P-C4' energy: -24.175
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -4.020
tors. eta vs tors. theta energy: 5.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 371
Temperature: 2.050000
Total energy: -67.536230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.536230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.536230 (E_RNA)
where:
Base-Base interactions energy: -20.100
where: short stacking energy: -22.952
Base-Backbone interact. energy: 1.971
local terms energy: -49.407242
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -21.491
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: 12.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 371
Temperature: 2.433333
Total energy: -42.248523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.248523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.248523 (E_RNA)
where:
Base-Base interactions energy: -11.860
where: short stacking energy: -8.260
Base-Backbone interact. energy: -1.040
local terms energy: -29.348460
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -5.042
flat angles P-C4'-P energy: -4.370
tors. eta vs tors. theta energy: 13.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 371
Temperature: 2.816667
Total energy: -37.548061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.548061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.548061 (E_RNA)
where:
Base-Base interactions energy: -12.803
where: short stacking energy: -10.281
Base-Backbone interact. energy: 1.501
local terms energy: -26.245870
where:
bonds (distance) C4'-P energy: -2.281
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -3.698
tors. eta vs tors. theta energy: 7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 371
Temperature: 3.200000
Total energy: -21.684116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.684116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.684116 (E_RNA)
where:
Base-Base interactions energy: -3.705
where: short stacking energy: -1.961
Base-Backbone interact. energy: 5.596
local terms energy: -23.575692
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: 3.257
tors. eta vs tors. theta energy: 18.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 371
Temperature: 3.583333
Total energy: -20.704834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.704834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.704834 (E_RNA)
where:
Base-Base interactions energy: -5.050
where: short stacking energy: -5.033
Base-Backbone interact. energy: 2.477
local terms energy: -18.131079
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: 2.943
tors. eta vs tors. theta energy: 16.223
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: 9
=====================================
Write number: 371
Temperature: 3.966667
Total energy: -15.199801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.199801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.199801 (E_RNA)
where:
Base-Base interactions energy: -2.214
where: short stacking energy: -0.459
Base-Backbone interact. energy: 4.949
local terms energy: -17.934109
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: 0.612
tors. eta vs tors. theta energy: 15.160
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: 6
=====================================
Write number: 371
Temperature: 4.350000
Total energy: -1.542200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.542200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.542200 (E_RNA)
where:
Base-Base interactions energy: -0.859
where: short stacking energy: 0.833
Base-Backbone interact. energy: 6.465
local terms energy: -7.148277
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -5.602
flat angles C4'-P-C4' energy: -0.026
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: 13.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -370.020786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.020786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.020786 (E_RNA)
where:
Base-Base interactions energy: -247.755
where: short stacking energy: -127.960
Base-Backbone interact. energy: -0.633
local terms energy: -121.633063
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -20.888
flat angles C4'-P-C4' energy: -28.732
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -33.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 1.283333
Total energy: -215.931353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.931353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.931353 (E_RNA)
where:
Base-Base interactions energy: -130.416
where: short stacking energy: -69.449
Base-Backbone interact. energy: -0.407
local terms energy: -85.108205
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -25.898
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -16.275
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.666667
Total energy: -86.848359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.848359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.848359 (E_RNA)
where:
Base-Base interactions energy: -23.035
where: short stacking energy: -15.458
Base-Backbone interact. energy: 0.136
local terms energy: -63.949866
where:
bonds (distance) C4'-P energy: -19.833
bonds (distance) P-C4' energy: -27.435
flat angles C4'-P-C4' energy: -6.029
flat angles P-C4'-P energy: -17.166
tors. eta vs tors. theta energy: 6.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 372
Temperature: 2.050000
Total energy: -56.751800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.751800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.751800 (E_RNA)
where:
Base-Base interactions energy: -18.729
where: short stacking energy: -8.602
Base-Backbone interact. energy: 1.322
local terms energy: -39.344893
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -24.410
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -1.186
tors. eta vs tors. theta energy: 12.730
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: 5
=====================================
Write number: 372
Temperature: 2.433333
Total energy: -50.598067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.598067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.598067 (E_RNA)
where:
Base-Base interactions energy: -7.514
where: short stacking energy: -5.551
Base-Backbone interact. energy: 0.482
local terms energy: -43.565935
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: 11.816
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: 7
=====================================
Write number: 372
Temperature: 2.816667
Total energy: -31.270980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.270980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.270980 (E_RNA)
where:
Base-Base interactions energy: -8.290
where: short stacking energy: -8.465
Base-Backbone interact. energy: 0.409
local terms energy: -23.390062
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -3.461
flat angles P-C4'-P energy: 2.876
tors. eta vs tors. theta energy: 11.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 372
Temperature: 3.200000
Total energy: -23.749427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.749427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.749427 (E_RNA)
where:
Base-Base interactions energy: -7.100
where: short stacking energy: -5.830
Base-Backbone interact. energy: 6.845
local terms energy: -23.494387
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -7.916
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: 4.634
tors. eta vs tors. theta energy: 11.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 372
Temperature: 3.583333
Total energy: -21.255626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.255626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.255626 (E_RNA)
where:
Base-Base interactions energy: -6.564
where: short stacking energy: -6.564
Base-Backbone interact. energy: -0.331
local terms energy: -14.360975
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: 0.482
flat angles P-C4'-P energy: -0.122
tors. eta vs tors. theta energy: 16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 372
Temperature: 3.966667
Total energy: -3.852578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.852578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.852578 (E_RNA)
where:
Base-Base interactions energy: -2.672
where: short stacking energy: -0.225
Base-Backbone interact. energy: 3.465
local terms energy: -4.644785
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -0.393
flat angles P-C4'-P energy: 3.342
tors. eta vs tors. theta energy: 17.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 4.350000
Total energy: -0.011085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.011085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.011085 (E_RNA)
where:
Base-Base interactions energy: -7.749
where: short stacking energy: -6.717
Base-Backbone interact. energy: 1.084
local terms energy: 6.653694
where:
bonds (distance) C4'-P energy: -2.382
bonds (distance) P-C4' energy: -9.490
flat angles C4'-P-C4' energy: -7.330
flat angles P-C4'-P energy: 5.440
tors. eta vs tors. theta energy: 20.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -371.181851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.181851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.181851 (E_RNA)
where:
Base-Base interactions energy: -235.548
where: short stacking energy: -115.669
Base-Backbone interact. energy: -0.816
local terms energy: -134.817620
where:
bonds (distance) C4'-P energy: -23.502
bonds (distance) P-C4' energy: -30.336
flat angles C4'-P-C4' energy: -25.837
flat angles P-C4'-P energy: -20.367
tors. eta vs tors. theta energy: -34.775
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: 2
=====================================
Write number: 373
Temperature: 1.283333
Total energy: -189.709227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.709227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.709227 (E_RNA)
where:
Base-Base interactions energy: -106.788
where: short stacking energy: -58.540
Base-Backbone interact. energy: -0.342
local terms energy: -82.578323
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -25.976
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -9.455
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: 8
=====================================
Write number: 373
Temperature: 1.666667
Total energy: -92.668529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.668529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.668529 (E_RNA)
where:
Base-Base interactions energy: -38.998
where: short stacking energy: -24.141
Base-Backbone interact. energy: -1.028
local terms energy: -52.642297
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -9.287
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -18.340
tors. eta vs tors. theta energy: 8.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 373
Temperature: 2.050000
Total energy: -59.359916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.359916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.359916 (E_RNA)
where:
Base-Base interactions energy: -11.919
where: short stacking energy: -10.835
Base-Backbone interact. energy: 4.109
local terms energy: -51.550444
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -24.473
flat angles C4'-P-C4' energy: -6.743
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: 10.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 373
Temperature: 2.433333
Total energy: -47.920297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.920297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.920297 (E_RNA)
where:
Base-Base interactions energy: -7.443
where: short stacking energy: -6.059
Base-Backbone interact. energy: 0.060
local terms energy: -40.536756
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: 15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 373
Temperature: 2.816667
Total energy: -39.516786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.516786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.516786 (E_RNA)
where:
Base-Base interactions energy: -7.105
where: short stacking energy: -7.105
Base-Backbone interact. energy: -0.363
local terms energy: -32.048873
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -11.075
flat angles C4'-P-C4' energy: -5.805
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: 11.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 373
Temperature: 3.200000
Total energy: -31.236357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.236357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.236357 (E_RNA)
where:
Base-Base interactions energy: -4.979
where: short stacking energy: 0.364
Base-Backbone interact. energy: -0.623
local terms energy: -25.633773
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -20.064
flat angles C4'-P-C4' energy: -4.504
flat angles P-C4'-P energy: -3.501
tors. eta vs tors. theta energy: 17.360
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: 373
Temperature: 3.583333
Total energy: -11.113704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.113704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.113704 (E_RNA)
where:
Base-Base interactions energy: -6.587
where: short stacking energy: -2.240
Base-Backbone interact. energy: 7.845
local terms energy: -12.372264
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -3.033
flat angles P-C4'-P energy: 4.747
tors. eta vs tors. theta energy: 16.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 373
Temperature: 3.966667
Total energy: -6.181703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.181703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.181703 (E_RNA)
where:
Base-Base interactions energy: -3.157
where: short stacking energy: -2.089
Base-Backbone interact. energy: 0.965
local terms energy: -3.990306
where:
bonds (distance) C4'-P energy: -6.649
bonds (distance) P-C4' energy: -6.574
flat angles C4'-P-C4' energy: -0.293
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: 16.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 4.350000
Total energy: -5.947421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.947421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.947421 (E_RNA)
where:
Base-Base interactions energy: 1.475
where: short stacking energy: 2.394
Base-Backbone interact. energy: -0.425
local terms energy: -6.996615
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: 1.793
flat angles P-C4'-P energy: 3.786
tors. eta vs tors. theta energy: 15.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -364.850831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.850831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.850831 (E_RNA)
where:
Base-Base interactions energy: -240.277
where: short stacking energy: -118.077
Base-Backbone interact. energy: -0.015
local terms energy: -124.558406
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -26.356
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -36.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 1.283333
Total energy: -202.872072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.872072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.872072 (E_RNA)
where:
Base-Base interactions energy: -114.745
where: short stacking energy: -61.322
Base-Backbone interact. energy: -0.336
local terms energy: -87.790391
where:
bonds (distance) C4'-P energy: -23.684
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -16.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 374
Temperature: 1.666667
Total energy: -87.239084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.239084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.239084 (E_RNA)
where:
Base-Base interactions energy: -23.634
where: short stacking energy: -19.228
Base-Backbone interact. energy: -1.110
local terms energy: -62.494858
where:
bonds (distance) C4'-P energy: -23.610
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: 3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 374
Temperature: 2.050000
Total energy: -59.516391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.516391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.516391 (E_RNA)
where:
Base-Base interactions energy: -21.651
where: short stacking energy: -15.380
Base-Backbone interact. energy: -0.147
local terms energy: -37.718130
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -1.448
tors. eta vs tors. theta energy: 11.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 374
Temperature: 2.433333
Total energy: -45.451277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.451277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.451277 (E_RNA)
where:
Base-Base interactions energy: -8.367
where: short stacking energy: -7.887
Base-Backbone interact. energy: -0.045
local terms energy: -37.039610
where:
bonds (distance) C4'-P energy: -19.135
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -8.941
flat angles P-C4'-P energy: -4.168
tors. eta vs tors. theta energy: 9.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 374
Temperature: 2.816667
Total energy: -35.103370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.103370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.103370 (E_RNA)
where:
Base-Base interactions energy: -15.255
where: short stacking energy: -14.342
Base-Backbone interact. energy: -0.569
local terms energy: -19.279676
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: 4.307
tors. eta vs tors. theta energy: 14.538
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: 374
Temperature: 3.200000
Total energy: -33.947497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.947497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.947497 (E_RNA)
where:
Base-Base interactions energy: -5.576
where: short stacking energy: -4.011
Base-Backbone interact. energy: 1.296
local terms energy: -29.667216
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: 2.142
tors. eta vs tors. theta energy: 12.965
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: 6
=====================================
Write number: 374
Temperature: 3.583333
Total energy: -15.834830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.834830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.834830 (E_RNA)
where:
Base-Base interactions energy: -4.151
where: short stacking energy: -1.631
Base-Backbone interact. energy: 10.419
local terms energy: -22.103026
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -9.238
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -4.105
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: 9, replica: 4
=====================================
Write number: 374
Temperature: 3.966667
Total energy: -4.570669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.570669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.570669 (E_RNA)
where:
Base-Base interactions energy: -8.307
where: short stacking energy: 0.248
Base-Backbone interact. energy: 3.571
local terms energy: 0.165515
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -1.467
flat angles P-C4'-P energy: 13.339
tors. eta vs tors. theta energy: 19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 4.350000
Total energy: 1.927494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.927494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.927494 (E_RNA)
where:
Base-Base interactions energy: -2.938
where: short stacking energy: -2.906
Base-Backbone interact. energy: 10.869
local terms energy: -6.003106
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -0.642
flat angles C4'-P-C4' energy: -8.361
flat angles P-C4'-P energy: -2.815
tors. eta vs tors. theta energy: 16.029
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: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -368.144147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.144147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.144147 (E_RNA)
where:
Base-Base interactions energy: -237.983
where: short stacking energy: -117.963
Base-Backbone interact. energy: -0.002
local terms energy: -130.158702
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -28.771
flat angles C4'-P-C4' energy: -27.325
flat angles P-C4'-P energy: -18.289
tors. eta vs tors. theta energy: -34.983
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: 2
=====================================
Write number: 375
Temperature: 1.283333
Total energy: -197.136843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.136843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.136843 (E_RNA)
where:
Base-Base interactions energy: -110.487
where: short stacking energy: -68.003
Base-Backbone interact. energy: -0.301
local terms energy: -86.348696
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -20.783
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -11.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 375
Temperature: 1.666667
Total energy: -75.363755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.363755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.363755 (E_RNA)
where:
Base-Base interactions energy: -23.221
where: short stacking energy: -23.032
Base-Backbone interact. energy: -0.438
local terms energy: -51.705273
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -21.287
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: 0.151
tors. eta vs tors. theta energy: 1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 375
Temperature: 2.050000
Total energy: -61.410106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.410106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.410106 (E_RNA)
where:
Base-Base interactions energy: -15.825
where: short stacking energy: -16.291
Base-Backbone interact. energy: 2.725
local terms energy: -48.309643
where:
bonds (distance) C4'-P energy: -21.771
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -20.750
flat angles P-C4'-P energy: -3.513
tors. eta vs tors. theta energy: 14.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 375
Temperature: 2.433333
Total energy: -45.797491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.797491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.797491 (E_RNA)
where:
Base-Base interactions energy: -9.892
where: short stacking energy: -6.183
Base-Backbone interact. energy: 2.583
local terms energy: -38.487583
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -3.745
tors. eta vs tors. theta energy: 9.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 375
Temperature: 2.816667
Total energy: -32.668440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.668440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.668440 (E_RNA)
where:
Base-Base interactions energy: -8.694
where: short stacking energy: -7.980
Base-Backbone interact. energy: 0.509
local terms energy: -24.483193
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -0.272
tors. eta vs tors. theta energy: 12.286
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: 7, replica: 7
=====================================
Write number: 375
Temperature: 3.200000
Total energy: -27.478415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.478415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.478415 (E_RNA)
where:
Base-Base interactions energy: -9.105
where: short stacking energy: -3.635
Base-Backbone interact. energy: -0.303
local terms energy: -18.070344
where:
bonds (distance) C4'-P energy: -7.122
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -4.620
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: 13.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 375
Temperature: 3.583333
Total energy: -21.121163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.121163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.121163 (E_RNA)
where:
Base-Base interactions energy: -0.837
where: short stacking energy: -0.074
Base-Backbone interact. energy: 0.458
local terms energy: -20.741348
where:
bonds (distance) C4'-P energy: -7.294
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -3.887
tors. eta vs tors. theta energy: 18.713
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: 4
=====================================
Write number: 375
Temperature: 3.966667
Total energy: -5.061092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.061092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.061092 (E_RNA)
where:
Base-Base interactions energy: -1.571
where: short stacking energy: -1.158
Base-Backbone interact. energy: 4.183
local terms energy: -7.672920
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: 4.629
flat angles P-C4'-P energy: 3.485
tors. eta vs tors. theta energy: 12.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 375
Temperature: 4.350000
Total energy: -4.663193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.663193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.663193 (E_RNA)
where:
Base-Base interactions energy: -4.618
where: short stacking energy: -0.653
Base-Backbone interact. energy: 1.865
local terms energy: -1.910623
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -7.644
flat angles C4'-P-C4' energy: -2.573
flat angles P-C4'-P energy: 5.883
tors. eta vs tors. theta energy: 18.767
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: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -369.307441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.307441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.307441 (E_RNA)
where:
Base-Base interactions energy: -245.975
where: short stacking energy: -113.964
Base-Backbone interact. energy: -1.719
local terms energy: -121.613000
where:
bonds (distance) C4'-P energy: -22.057
bonds (distance) P-C4' energy: -24.501
flat angles C4'-P-C4' energy: -27.213
flat angles P-C4'-P energy: -18.449
tors. eta vs tors. theta energy: -29.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 1.283333
Total energy: -197.259540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.259540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.259540 (E_RNA)
where:
Base-Base interactions energy: -105.912
where: short stacking energy: -55.125
Base-Backbone interact. energy: 1.812
local terms energy: -93.160103
where:
bonds (distance) C4'-P energy: -23.766
bonds (distance) P-C4' energy: -20.718
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -14.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 376
Temperature: 1.666667
Total energy: -86.244813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.244813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.244813 (E_RNA)
where:
Base-Base interactions energy: -18.189
where: short stacking energy: -14.353
Base-Backbone interact. energy: -0.528
local terms energy: -67.527321
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: 4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 376
Temperature: 2.050000
Total energy: -59.884752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.884752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.884752 (E_RNA)
where:
Base-Base interactions energy: -13.626
where: short stacking energy: -11.528
Base-Backbone interact. energy: 2.643
local terms energy: -48.902149
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -8.207
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: 10.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 376
Temperature: 2.433333
Total energy: -46.910187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.910187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.910187 (E_RNA)
where:
Base-Base interactions energy: -15.464
where: short stacking energy: -12.309
Base-Backbone interact. energy: 6.300
local terms energy: -37.745526
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -10.189
flat angles C4'-P-C4' energy: -8.113
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: 10.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 376
Temperature: 2.816667
Total energy: -34.186407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.186407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.186407 (E_RNA)
where:
Base-Base interactions energy: -10.988
where: short stacking energy: -8.173
Base-Backbone interact. energy: 1.574
local terms energy: -24.771613
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -3.432
flat angles P-C4'-P energy: -4.191
tors. eta vs tors. theta energy: 10.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 3.200000
Total energy: -29.320968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.320968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.320968 (E_RNA)
where:
Base-Base interactions energy: -0.121
where: short stacking energy: -1.021
Base-Backbone interact. energy: 0.900
local terms energy: -30.099819
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -9.414
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: 1.158
tors. eta vs tors. theta energy: 10.990
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: 8, replica: 7
=====================================
Write number: 376
Temperature: 3.583333
Total energy: -15.257062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.257062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.257062 (E_RNA)
where:
Base-Base interactions energy: -7.294
where: short stacking energy: -4.173
Base-Backbone interact. energy: 2.689
local terms energy: -10.651881
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -23.625
flat angles C4'-P-C4' energy: -1.957
flat angles P-C4'-P energy: 15.741
tors. eta vs tors. theta energy: 11.374
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: 9
=====================================
Write number: 376
Temperature: 3.966667
Total energy: -12.129551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.129551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.129551 (E_RNA)
where:
Base-Base interactions energy: -3.166
where: short stacking energy: -3.866
Base-Backbone interact. energy: 5.394
local terms energy: -14.357846
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -8.626
flat angles C4'-P-C4' energy: -4.978
flat angles P-C4'-P energy: -2.506
tors. eta vs tors. theta energy: 12.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 376
Temperature: 4.350000
Total energy: 0.507241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.507241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.507241 (E_RNA)
where:
Base-Base interactions energy: -1.279
where: short stacking energy: -0.698
Base-Backbone interact. energy: 5.674
local terms energy: -3.887496
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -10.483
flat angles C4'-P-C4' energy: -2.565
flat angles P-C4'-P energy: 7.730
tors. eta vs tors. theta energy: 16.893
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: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -370.568636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.568636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.568636 (E_RNA)
where:
Base-Base interactions energy: -244.708
where: short stacking energy: -103.648
Base-Backbone interact. energy: -0.689
local terms energy: -125.171176
where:
bonds (distance) C4'-P energy: -29.653
bonds (distance) P-C4' energy: -27.381
flat angles C4'-P-C4' energy: -23.869
flat angles P-C4'-P energy: -16.245
tors. eta vs tors. theta energy: -28.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 1.283333
Total energy: -210.270043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.270043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.270043 (E_RNA)
where:
Base-Base interactions energy: -130.993
where: short stacking energy: -63.675
Base-Backbone interact. energy: 1.598
local terms energy: -80.874969
where:
bonds (distance) C4'-P energy: -23.817
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -2.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.666667
Total energy: -88.403511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.403511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.403511 (E_RNA)
where:
Base-Base interactions energy: -30.470
where: short stacking energy: -28.013
Base-Backbone interact. energy: -0.237
local terms energy: -57.696761
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: 1.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 377
Temperature: 2.050000
Total energy: -61.252214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.252214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.252214 (E_RNA)
where:
Base-Base interactions energy: -11.260
where: short stacking energy: -8.131
Base-Backbone interact. energy: -0.529
local terms energy: -49.463332
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: 11.478
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: 10
=====================================
Write number: 377
Temperature: 2.433333
Total energy: -45.609194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.609194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.609194 (E_RNA)
where:
Base-Base interactions energy: -6.155
where: short stacking energy: -4.667
Base-Backbone interact. energy: -1.084
local terms energy: -38.370822
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -22.917
flat angles C4'-P-C4' energy: -5.290
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: 13.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 377
Temperature: 2.816667
Total energy: -31.066060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.066060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.066060 (E_RNA)
where:
Base-Base interactions energy: -13.898
where: short stacking energy: -8.316
Base-Backbone interact. energy: 1.339
local terms energy: -18.506663
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: 5.541
flat angles P-C4'-P energy: -4.144
tors. eta vs tors. theta energy: 14.383
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: 7, replica: 6
=====================================
Write number: 377
Temperature: 3.200000
Total energy: -20.244001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.244001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.244001 (E_RNA)
where:
Base-Base interactions energy: -2.931
where: short stacking energy: -3.171
Base-Backbone interact. energy: -0.820
local terms energy: -16.493376
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: 4.402
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: 12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 377
Temperature: 3.583333
Total energy: -8.401326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.401326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.401326 (E_RNA)
where:
Base-Base interactions energy: -6.799
where: short stacking energy: -3.895
Base-Backbone interact. energy: -0.765
local terms energy: -0.837242
where:
bonds (distance) C4'-P energy: -5.920
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: 2.721
flat angles P-C4'-P energy: -3.405
tors. eta vs tors. theta energy: 16.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 3.966667
Total energy: -6.864918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.864918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.864918 (E_RNA)
where:
Base-Base interactions energy: -0.035
where: short stacking energy: 0.756
Base-Backbone interact. energy: 5.899
local terms energy: -12.729207
where:
bonds (distance) C4'-P energy: -9.253
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: 1.773
flat angles P-C4'-P energy: 0.551
tors. eta vs tors. theta energy: 11.786
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: 377
Temperature: 4.350000
Total energy: 2.272644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 2.272644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 2.272644 (E_RNA)
where:
Base-Base interactions energy: -1.889
where: short stacking energy: -1.116
Base-Backbone interact. energy: 8.047
local terms energy: -3.885781
where:
bonds (distance) C4'-P energy: -4.451
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: 4.566
flat angles P-C4'-P energy: -3.833
tors. eta vs tors. theta energy: 12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -372.820353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.820353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.820353 (E_RNA)
where:
Base-Base interactions energy: -247.409
where: short stacking energy: -114.127
Base-Backbone interact. energy: -0.005
local terms energy: -125.405912
where:
bonds (distance) C4'-P energy: -24.773
bonds (distance) P-C4' energy: -26.267
flat angles C4'-P-C4' energy: -27.264
flat angles P-C4'-P energy: -21.517
tors. eta vs tors. theta energy: -25.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 378
Temperature: 1.283333
Total energy: -227.103116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.103116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.103116 (E_RNA)
where:
Base-Base interactions energy: -133.435
where: short stacking energy: -64.985
Base-Backbone interact. energy: -0.651
local terms energy: -93.017060
where:
bonds (distance) C4'-P energy: -20.939
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -18.018
tors. eta vs tors. theta energy: -12.860
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: 8
=====================================
Write number: 378
Temperature: 1.666667
Total energy: -88.960687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.960687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.960687 (E_RNA)
where:
Base-Base interactions energy: -30.922
where: short stacking energy: -30.656
Base-Backbone interact. energy: -0.159
local terms energy: -57.879078
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -0.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 378
Temperature: 2.050000
Total energy: -61.753510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.753510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.753510 (E_RNA)
where:
Base-Base interactions energy: -16.100
where: short stacking energy: -16.100
Base-Backbone interact. energy: 0.713
local terms energy: -46.366911
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -0.854
tors. eta vs tors. theta energy: 1.318
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: 5, replica: 10
=====================================
Write number: 378
Temperature: 2.433333
Total energy: -49.303601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.303601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.303601 (E_RNA)
where:
Base-Base interactions energy: -12.586
where: short stacking energy: -10.855
Base-Backbone interact. energy: -0.148
local terms energy: -36.569415
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -4.585
flat angles C4'-P-C4' energy: -5.702
flat angles P-C4'-P energy: -16.320
tors. eta vs tors. theta energy: 6.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 378
Temperature: 2.816667
Total energy: -30.078678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.078678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.078678 (E_RNA)
where:
Base-Base interactions energy: -9.717
where: short stacking energy: -8.642
Base-Backbone interact. energy: 2.587
local terms energy: -22.948268
where:
bonds (distance) C4'-P energy: -4.835
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -6.852
flat angles P-C4'-P energy: 2.385
tors. eta vs tors. theta energy: 5.244
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: 7, replica: 7
=====================================
Write number: 378
Temperature: 3.200000
Total energy: -23.069547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.069547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.069547 (E_RNA)
where:
Base-Base interactions energy: -4.261
where: short stacking energy: 0.523
Base-Backbone interact. energy: 3.633
local terms energy: -22.441944
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -5.318
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: 15.744
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: 6
=====================================
Write number: 378
Temperature: 3.583333
Total energy: -13.983935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.983935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.983935 (E_RNA)
where:
Base-Base interactions energy: -5.921
where: short stacking energy: -5.921
Base-Backbone interact. energy: 0.075
local terms energy: -8.137924
where:
bonds (distance) C4'-P energy: -9.045
bonds (distance) P-C4' energy: -7.575
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: 3.438
tors. eta vs tors. theta energy: 15.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 3.966667
Total energy: -8.372841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.372841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.372841 (E_RNA)
where:
Base-Base interactions energy: -10.257
where: short stacking energy: -5.321
Base-Backbone interact. energy: 1.001
local terms energy: 0.882854
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -10.466
flat angles P-C4'-P energy: 14.839
tors. eta vs tors. theta energy: 16.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 378
Temperature: 4.350000
Total energy: 1.987157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.987157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.987157 (E_RNA)
where:
Base-Base interactions energy: -8.580
where: short stacking energy: -2.159
Base-Backbone interact. energy: 1.662
local terms energy: 8.904411
where:
bonds (distance) C4'-P energy: -8.683
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: 4.377
flat angles P-C4'-P energy: 4.009
tors. eta vs tors. theta energy: 20.221
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: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -368.121013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.121013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.121013 (E_RNA)
where:
Base-Base interactions energy: -249.226
where: short stacking energy: -114.963
Base-Backbone interact. energy: -1.448
local terms energy: -117.446575
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -24.581
flat angles C4'-P-C4' energy: -27.371
flat angles P-C4'-P energy: -19.106
tors. eta vs tors. theta energy: -28.276
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: 2
=====================================
Write number: 379
Temperature: 1.283333
Total energy: -230.916858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.916858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.916858 (E_RNA)
where:
Base-Base interactions energy: -140.444
where: short stacking energy: -65.735
Base-Backbone interact. energy: -0.150
local terms energy: -90.322128
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -24.660
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 379
Temperature: 1.666667
Total energy: -90.301619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.301619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.301619 (E_RNA)
where:
Base-Base interactions energy: -31.866
where: short stacking energy: -29.784
Base-Backbone interact. energy: 1.878
local terms energy: -60.313131
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -23.822
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: 7.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 379
Temperature: 2.050000
Total energy: -57.817025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.817025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.817025 (E_RNA)
where:
Base-Base interactions energy: -8.867
where: short stacking energy: -7.437
Base-Backbone interact. energy: -0.578
local terms energy: -48.372076
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -8.666
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: 10.529
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: 5
=====================================
Write number: 379
Temperature: 2.433333
Total energy: -51.262036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.262036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.262036 (E_RNA)
where:
Base-Base interactions energy: -15.605
where: short stacking energy: -15.219
Base-Backbone interact. energy: 2.235
local terms energy: -37.891403
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -5.440
flat angles P-C4'-P energy: -2.748
tors. eta vs tors. theta energy: 0.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 379
Temperature: 2.816667
Total energy: -34.649875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.649875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.649875 (E_RNA)
where:
Base-Base interactions energy: -0.754
where: short stacking energy: -0.754
Base-Backbone interact. energy: 0.126
local terms energy: -34.021157
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -6.467
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: 15.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 379
Temperature: 3.200000
Total energy: -21.623886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.623886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.623886 (E_RNA)
where:
Base-Base interactions energy: -8.128
where: short stacking energy: -6.203
Base-Backbone interact. energy: -0.113
local terms energy: -13.383798
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: 1.942
tors. eta vs tors. theta energy: 19.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 379
Temperature: 3.583333
Total energy: -19.646817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.646817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.646817 (E_RNA)
where:
Base-Base interactions energy: -9.368
where: short stacking energy: -6.569
Base-Backbone interact. energy: 2.140
local terms energy: -12.419160
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: 5.778
flat angles P-C4'-P energy: -4.130
tors. eta vs tors. theta energy: 19.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 3.966667
Total energy: -13.288001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.288001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.288001 (E_RNA)
where:
Base-Base interactions energy: -6.133
where: short stacking energy: -3.593
Base-Backbone interact. energy: -0.926
local terms energy: -6.228703
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -6.176
flat angles C4'-P-C4' energy: 1.288
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: 15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 379
Temperature: 4.350000
Total energy: 1.362550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.362550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.362550 (E_RNA)
where:
Base-Base interactions energy: -2.099
where: short stacking energy: -2.464
Base-Backbone interact. energy: 4.769
local terms energy: -1.307688
where:
bonds (distance) C4'-P energy: -6.855
bonds (distance) P-C4' energy: -8.259
flat angles C4'-P-C4' energy: -2.434
flat angles P-C4'-P energy: -3.956
tors. eta vs tors. theta energy: 20.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -369.781294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.781294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.781294 (E_RNA)
where:
Base-Base interactions energy: -253.874
where: short stacking energy: -116.753
Base-Backbone interact. energy: -0.020
local terms energy: -115.886997
where:
bonds (distance) C4'-P energy: -23.764
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -25.332
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -27.360
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: 2
=====================================
Write number: 380
Temperature: 1.283333
Total energy: -228.288261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.288261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.288261 (E_RNA)
where:
Base-Base interactions energy: -152.172
where: short stacking energy: -61.531
Base-Backbone interact. energy: -0.387
local terms energy: -75.729909
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -12.636
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: 3, replica: 10
=====================================
Write number: 380
Temperature: 1.666667
Total energy: -86.401457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.401457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.401457 (E_RNA)
where:
Base-Base interactions energy: -21.415
where: short stacking energy: -17.592
Base-Backbone interact. energy: 1.344
local terms energy: -66.329742
where:
bonds (distance) C4'-P energy: -24.167
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -20.971
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: 6.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 380
Temperature: 2.050000
Total energy: -66.580111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.580111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.580111 (E_RNA)
where:
Base-Base interactions energy: -4.579
where: short stacking energy: -5.154
Base-Backbone interact. energy: -1.412
local terms energy: -60.589158
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -28.595
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: 6.992
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: 5, replica: 7
=====================================
Write number: 380
Temperature: 2.433333
Total energy: -49.130245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.130245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.130245 (E_RNA)
where:
Base-Base interactions energy: -16.949
where: short stacking energy: -15.043
Base-Backbone interact. energy: 7.283
local terms energy: -39.463376
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: 8.175
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: 6, replica: 5
=====================================
Write number: 380
Temperature: 2.816667
Total energy: -40.346851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.346851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.346851 (E_RNA)
where:
Base-Base interactions energy: -7.373
where: short stacking energy: -4.465
Base-Backbone interact. energy: 1.696
local terms energy: -34.669891
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: 15.829
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: 380
Temperature: 3.200000
Total energy: -32.426035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.426035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.426035 (E_RNA)
where:
Base-Base interactions energy: -6.746
where: short stacking energy: -5.027
Base-Backbone interact. energy: -0.647
local terms energy: -25.032928
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -3.243
flat angles P-C4'-P energy: 1.774
tors. eta vs tors. theta energy: 10.733
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: 9
=====================================
Write number: 380
Temperature: 3.583333
Total energy: -23.083550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.083550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.083550 (E_RNA)
where:
Base-Base interactions energy: -12.360
where: short stacking energy: -12.460
Base-Backbone interact. energy: 6.820
local terms energy: -17.543371
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -4.052
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: 18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 380
Temperature: 3.966667
Total energy: -21.349844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.349844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.349844 (E_RNA)
where:
Base-Base interactions energy: -2.939
where: short stacking energy: -0.149
Base-Backbone interact. energy: 1.899
local terms energy: -20.310247
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -7.059
flat angles P-C4'-P energy: 1.475
tors. eta vs tors. theta energy: 16.620
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: 6
=====================================
Write number: 380
Temperature: 4.350000
Total energy: -0.763536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.763536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.763536 (E_RNA)
where:
Base-Base interactions energy: -0.244
where: short stacking energy: 0.000
Base-Backbone interact. energy: 0.530
local terms energy: -1.049778
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: 4.652
flat angles P-C4'-P energy: 1.997
tors. eta vs tors. theta energy: 18.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -359.203937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.203937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.203937 (E_RNA)
where:
Base-Base interactions energy: -242.287
where: short stacking energy: -114.882
Base-Backbone interact. energy: -0.561
local terms energy: -116.355513
where:
bonds (distance) C4'-P energy: -26.493
bonds (distance) P-C4' energy: -19.000
flat angles C4'-P-C4' energy: -25.187
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -34.551
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: 2
=====================================
Write number: 381
Temperature: 1.283333
Total energy: -230.244170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.244170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.244170 (E_RNA)
where:
Base-Base interactions energy: -135.721
where: short stacking energy: -63.832
Base-Backbone interact. energy: -0.135
local terms energy: -94.388672
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -14.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 381
Temperature: 1.666667
Total energy: -84.129957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.129957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.129957 (E_RNA)
where:
Base-Base interactions energy: -19.525
where: short stacking energy: -15.764
Base-Backbone interact. energy: 2.852
local terms energy: -67.456818
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -24.406
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -0.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 381
Temperature: 2.050000
Total energy: -70.225221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.225221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.225221 (E_RNA)
where:
Base-Base interactions energy: -15.813
where: short stacking energy: -10.008
Base-Backbone interact. energy: -2.160
local terms energy: -52.251432
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: 5.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 381
Temperature: 2.433333
Total energy: -43.380532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.380532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.380532 (E_RNA)
where:
Base-Base interactions energy: -5.466
where: short stacking energy: -5.466
Base-Backbone interact. energy: -0.411
local terms energy: -37.503318
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -4.936
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: 15.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 381
Temperature: 2.816667
Total energy: -36.908481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.908481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.908481 (E_RNA)
where:
Base-Base interactions energy: -6.094
where: short stacking energy: -5.363
Base-Backbone interact. energy: -1.962
local terms energy: -28.852175
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -8.426
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: 11.574
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: 381
Temperature: 3.200000
Total energy: -27.230356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.230356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.230356 (E_RNA)
where:
Base-Base interactions energy: -9.027
where: short stacking energy: -8.797
Base-Backbone interact. energy: 1.438
local terms energy: -19.640842
where:
bonds (distance) C4'-P energy: -9.684
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -6.539
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: 14.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 381
Temperature: 3.583333
Total energy: -13.784133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.784133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.784133 (E_RNA)
where:
Base-Base interactions energy: -0.847
where: short stacking energy: -1.258
Base-Backbone interact. energy: 0.774
local terms energy: -13.710586
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -11.657
flat angles C4'-P-C4' energy: 1.222
flat angles P-C4'-P energy: -2.473
tors. eta vs tors. theta energy: 15.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 381
Temperature: 3.966667
Total energy: -5.695087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.695087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.695087 (E_RNA)
where:
Base-Base interactions energy: -5.489
where: short stacking energy: -3.452
Base-Backbone interact. energy: -0.586
local terms energy: 0.379541
where:
bonds (distance) C4'-P energy: -9.488
bonds (distance) P-C4' energy: -8.194
flat angles C4'-P-C4' energy: 2.660
flat angles P-C4'-P energy: 1.378
tors. eta vs tors. theta energy: 14.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 381
Temperature: 4.350000
Total energy: 4.294168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4.294168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 4.294168 (E_RNA)
where:
Base-Base interactions energy: -9.556
where: short stacking energy: -1.863
Base-Backbone interact. energy: -0.122
local terms energy: 13.971314
where:
bonds (distance) C4'-P energy: 0.086
bonds (distance) P-C4' energy: -0.861
flat angles C4'-P-C4' energy: -5.822
flat angles P-C4'-P energy: 10.712
tors. eta vs tors. theta energy: 9.855
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: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -363.174516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.174516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.174516 (E_RNA)
where:
Base-Base interactions energy: -242.066
where: short stacking energy: -112.097
Base-Backbone interact. energy: -0.392
local terms energy: -120.716639
where:
bonds (distance) C4'-P energy: -25.757
bonds (distance) P-C4' energy: -24.065
flat angles C4'-P-C4' energy: -25.206
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -27.065
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: 2
=====================================
Write number: 382
Temperature: 1.283333
Total energy: -230.338955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.338955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.338955 (E_RNA)
where:
Base-Base interactions energy: -140.726
where: short stacking energy: -69.929
Base-Backbone interact. energy: -0.389
local terms energy: -89.224272
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -14.998
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: 8
=====================================
Write number: 382
Temperature: 1.666667
Total energy: -85.449572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.449572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.449572 (E_RNA)
where:
Base-Base interactions energy: -18.564
where: short stacking energy: -18.564
Base-Backbone interact. energy: 2.281
local terms energy: -69.166359
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -26.009
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: 2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 382
Temperature: 2.050000
Total energy: -62.748965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.748965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.748965 (E_RNA)
where:
Base-Base interactions energy: -19.315
where: short stacking energy: -13.343
Base-Backbone interact. energy: -0.448
local terms energy: -42.986256
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: 8.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 382
Temperature: 2.433333
Total energy: -43.473542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.473542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.473542 (E_RNA)
where:
Base-Base interactions energy: -1.658
where: short stacking energy: 0.000
Base-Backbone interact. energy: 0.164
local terms energy: -41.979143
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: 13.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 382
Temperature: 2.816667
Total energy: -32.552586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.552586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.552586 (E_RNA)
where:
Base-Base interactions energy: -13.665
where: short stacking energy: -11.770
Base-Backbone interact. energy: 2.910
local terms energy: -21.797528
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -9.742
flat angles C4'-P-C4' energy: -8.813
flat angles P-C4'-P energy: -4.320
tors. eta vs tors. theta energy: 13.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 3.200000
Total energy: -26.217194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.217194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.217194 (E_RNA)
where:
Base-Base interactions energy: -1.096
where: short stacking energy: -1.496
Base-Backbone interact. energy: 4.690
local terms energy: -29.811735
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -5.666
flat angles P-C4'-P energy: 2.889
tors. eta vs tors. theta energy: 9.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 382
Temperature: 3.583333
Total energy: -16.511929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.511929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.511929 (E_RNA)
where:
Base-Base interactions energy: -2.828
where: short stacking energy: -0.018
Base-Backbone interact. energy: 0.895
local terms energy: -14.579403
where:
bonds (distance) C4'-P energy: -10.582
bonds (distance) P-C4' energy: -8.231
flat angles C4'-P-C4' energy: -8.463
flat angles P-C4'-P energy: 2.794
tors. eta vs tors. theta energy: 9.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 382
Temperature: 3.966667
Total energy: -3.052051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.052051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.052051 (E_RNA)
where:
Base-Base interactions energy: 0.766
where: short stacking energy: 1.150
Base-Backbone interact. energy: -0.107
local terms energy: -3.711860
where:
bonds (distance) C4'-P energy: -7.973
bonds (distance) P-C4' energy: -9.224
flat angles C4'-P-C4' energy: 3.398
flat angles P-C4'-P energy: -2.499
tors. eta vs tors. theta energy: 12.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 4.350000
Total energy: -0.924663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.924663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.924663 (E_RNA)
where:
Base-Base interactions energy: -4.567
where: short stacking energy: -4.226
Base-Backbone interact. energy: -0.019
local terms energy: 3.661631
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: 7.927
flat angles P-C4'-P energy: 1.999
tors. eta vs tors. theta energy: 16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -365.014408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.014408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.014408 (E_RNA)
where:
Base-Base interactions energy: -243.826
where: short stacking energy: -114.257
Base-Backbone interact. energy: -0.216
local terms energy: -120.972420
where:
bonds (distance) C4'-P energy: -23.014
bonds (distance) P-C4' energy: -27.568
flat angles C4'-P-C4' energy: -22.316
flat angles P-C4'-P energy: -18.257
tors. eta vs tors. theta energy: -29.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 383
Temperature: 1.283333
Total energy: -237.559384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.559384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.559384 (E_RNA)
where:
Base-Base interactions energy: -143.636
where: short stacking energy: -65.929
Base-Backbone interact. energy: 0.804
local terms energy: -94.727354
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -26.745
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -13.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 383
Temperature: 1.666667
Total energy: -90.332123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.332123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.332123 (E_RNA)
where:
Base-Base interactions energy: -25.644
where: short stacking energy: -25.644
Base-Backbone interact. energy: -0.063
local terms energy: -64.625915
where:
bonds (distance) C4'-P energy: -24.802
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -22.105
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: 5.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 383
Temperature: 2.050000
Total energy: -66.085136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.085136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.085136 (E_RNA)
where:
Base-Base interactions energy: -26.812
where: short stacking energy: -12.109
Base-Backbone interact. energy: 0.451
local terms energy: -39.723591
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -1.120
tors. eta vs tors. theta energy: 9.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 383
Temperature: 2.433333
Total energy: -52.604555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.604555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.604555 (E_RNA)
where:
Base-Base interactions energy: -15.817
where: short stacking energy: -10.300
Base-Backbone interact. energy: 1.290
local terms energy: -38.078115
where:
bonds (distance) C4'-P energy: -23.126
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -4.794
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: 13.991
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: 7
=====================================
Write number: 383
Temperature: 2.816667
Total energy: -32.925302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.925302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.925302 (E_RNA)
where:
Base-Base interactions energy: -5.170
where: short stacking energy: -4.141
Base-Backbone interact. energy: -0.502
local terms energy: -27.253469
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -1.843
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: 14.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 383
Temperature: 3.200000
Total energy: -30.177223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.177223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.177223 (E_RNA)
where:
Base-Base interactions energy: -16.141
where: short stacking energy: -6.964
Base-Backbone interact. energy: -0.207
local terms energy: -13.829737
where:
bonds (distance) C4'-P energy: -7.476
bonds (distance) P-C4' energy: -6.403
flat angles C4'-P-C4' energy: -10.516
flat angles P-C4'-P energy: -3.955
tors. eta vs tors. theta energy: 14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 383
Temperature: 3.583333
Total energy: -17.439867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.439867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.439867 (E_RNA)
where:
Base-Base interactions energy: -2.625
where: short stacking energy: -0.869
Base-Backbone interact. energy: 2.790
local terms energy: -17.604963
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -7.999
flat angles P-C4'-P energy: 3.662
tors. eta vs tors. theta energy: 15.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 383
Temperature: 3.966667
Total energy: -7.409945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.409945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.409945 (E_RNA)
where:
Base-Base interactions energy: -8.486
where: short stacking energy: -6.611
Base-Backbone interact. energy: 0.513
local terms energy: 0.563304
where:
bonds (distance) C4'-P energy: -1.167
bonds (distance) P-C4' energy: -9.444
flat angles C4'-P-C4' energy: -5.090
flat angles P-C4'-P energy: -0.996
tors. eta vs tors. theta energy: 17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 4.350000
Total energy: -11.370356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.370356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.370356 (E_RNA)
where:
Base-Base interactions energy: -4.744
where: short stacking energy: -4.364
Base-Backbone interact. energy: -0.786
local terms energy: -5.840450
where:
bonds (distance) C4'-P energy: -3.715
bonds (distance) P-C4' energy: -10.469
flat angles C4'-P-C4' energy: -10.014
flat angles P-C4'-P energy: 2.872
tors. eta vs tors. theta energy: 15.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -371.871011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.871011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.871011 (E_RNA)
where:
Base-Base interactions energy: -244.769
where: short stacking energy: -109.673
Base-Backbone interact. energy: 1.530
local terms energy: -128.631556
where:
bonds (distance) C4'-P energy: -23.331
bonds (distance) P-C4' energy: -28.365
flat angles C4'-P-C4' energy: -28.393
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -30.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 1.283333
Total energy: -241.187233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.187233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.187233 (E_RNA)
where:
Base-Base interactions energy: -156.626
where: short stacking energy: -77.929
Base-Backbone interact. energy: 0.198
local terms energy: -84.759518
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -21.990
flat angles C4'-P-C4' energy: -23.507
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -13.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 384
Temperature: 1.666667
Total energy: -88.012653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.012653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.012653 (E_RNA)
where:
Base-Base interactions energy: -22.992
where: short stacking energy: -19.726
Base-Backbone interact. energy: 0.825
local terms energy: -65.845755
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -23.974
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 384
Temperature: 2.050000
Total energy: -66.770132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.770132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.770132 (E_RNA)
where:
Base-Base interactions energy: -20.743
where: short stacking energy: -20.336
Base-Backbone interact. energy: -0.311
local terms energy: -45.716596
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -23.711
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -0.023
tors. eta vs tors. theta energy: 4.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 384
Temperature: 2.433333
Total energy: -45.603478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.603478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.603478 (E_RNA)
where:
Base-Base interactions energy: -12.089
where: short stacking energy: -5.609
Base-Backbone interact. energy: -0.179
local terms energy: -33.335694
where:
bonds (distance) C4'-P energy: -19.082
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -9.304
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: 16.057
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: 3
=====================================
Write number: 384
Temperature: 2.816667
Total energy: -39.539631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.539631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.539631 (E_RNA)
where:
Base-Base interactions energy: -5.510
where: short stacking energy: -5.510
Base-Backbone interact. energy: 2.112
local terms energy: -36.141247
where:
bonds (distance) C4'-P energy: -6.724
bonds (distance) P-C4' energy: -22.919
flat angles C4'-P-C4' energy: -9.564
flat angles P-C4'-P energy: -3.286
tors. eta vs tors. theta energy: 6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 384
Temperature: 3.200000
Total energy: -22.185115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.185115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.185115 (E_RNA)
where:
Base-Base interactions energy: -4.974
where: short stacking energy: -4.555
Base-Backbone interact. energy: 2.671
local terms energy: -19.882081
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -4.555
flat angles P-C4'-P energy: 1.089
tors. eta vs tors. theta energy: 13.763
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: 384
Temperature: 3.583333
Total energy: -17.987637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.987637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.987637 (E_RNA)
where:
Base-Base interactions energy: -8.567
where: short stacking energy: -4.271
Base-Backbone interact. energy: -1.132
local terms energy: -8.287968
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -7.992
flat angles C4'-P-C4' energy: 2.819
flat angles P-C4'-P energy: -1.268
tors. eta vs tors. theta energy: 14.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 3.966667
Total energy: -18.126132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.126132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.126132 (E_RNA)
where:
Base-Base interactions energy: -1.531
where: short stacking energy: -1.531
Base-Backbone interact. energy: 0.095
local terms energy: -16.690517
where:
bonds (distance) C4'-P energy: -6.119
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: 3.244
tors. eta vs tors. theta energy: 17.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 384
Temperature: 4.350000
Total energy: -2.895405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.895405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.895405 (E_RNA)
where:
Base-Base interactions energy: 3.163
where: short stacking energy: 0.563
Base-Backbone interact. energy: 2.969
local terms energy: -9.027159
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -6.419
flat angles P-C4'-P energy: 14.754
tors. eta vs tors. theta energy: 15.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -379.614295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.614295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.614295 (E_RNA)
where:
Base-Base interactions energy: -249.349
where: short stacking energy: -127.321
Base-Backbone interact. energy: -0.208
local terms energy: -130.056365
where:
bonds (distance) C4'-P energy: -29.291
bonds (distance) P-C4' energy: -22.324
flat angles C4'-P-C4' energy: -25.845
flat angles P-C4'-P energy: -16.151
tors. eta vs tors. theta energy: -36.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 1.283333
Total energy: -230.319167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.319167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.319167 (E_RNA)
where:
Base-Base interactions energy: -140.810
where: short stacking energy: -61.104
Base-Backbone interact. energy: -0.908
local terms energy: -88.600685
where:
bonds (distance) C4'-P energy: -23.665
bonds (distance) P-C4' energy: -23.311
flat angles C4'-P-C4' energy: -24.305
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: -12.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 385
Temperature: 1.666667
Total energy: -86.305811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.305811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.305811 (E_RNA)
where:
Base-Base interactions energy: -35.920
where: short stacking energy: -34.304
Base-Backbone interact. energy: 2.353
local terms energy: -52.739144
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -1.626
tors. eta vs tors. theta energy: 7.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 385
Temperature: 2.050000
Total energy: -63.815234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.815234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.815234 (E_RNA)
where:
Base-Base interactions energy: -9.114
where: short stacking energy: -8.082
Base-Backbone interact. energy: -0.669
local terms energy: -54.032226
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: 9.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 385
Temperature: 2.433333
Total energy: -46.448858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.448858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.448858 (E_RNA)
where:
Base-Base interactions energy: -4.823
where: short stacking energy: -5.301
Base-Backbone interact. energy: 1.556
local terms energy: -43.181420
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -8.504
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: 9.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 385
Temperature: 2.816667
Total energy: -35.026694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.026694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.026694 (E_RNA)
where:
Base-Base interactions energy: -4.691
where: short stacking energy: -3.231
Base-Backbone interact. energy: 3.632
local terms energy: -33.967670
where:
bonds (distance) C4'-P energy: -23.277
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -6.751
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: 19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 385
Temperature: 3.200000
Total energy: -24.331009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.331009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.331009 (E_RNA)
where:
Base-Base interactions energy: -13.571
where: short stacking energy: -11.907
Base-Backbone interact. energy: 0.922
local terms energy: -11.682035
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -9.139
flat angles C4'-P-C4' energy: 5.255
flat angles P-C4'-P energy: -4.780
tors. eta vs tors. theta energy: 15.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 385
Temperature: 3.583333
Total energy: -22.029308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.029308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.029308 (E_RNA)
where:
Base-Base interactions energy: -1.210
where: short stacking energy: 1.500
Base-Backbone interact. energy: -0.381
local terms energy: -20.438446
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -24.319
flat angles C4'-P-C4' energy: 10.779
flat angles P-C4'-P energy: -1.483
tors. eta vs tors. theta energy: 11.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 385
Temperature: 3.966667
Total energy: -5.011325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.011325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.011325 (E_RNA)
where:
Base-Base interactions energy: -2.872
where: short stacking energy: -0.142
Base-Backbone interact. energy: 4.742
local terms energy: -6.881498
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -5.232
flat angles C4'-P-C4' energy: -6.542
flat angles P-C4'-P energy: 5.975
tors. eta vs tors. theta energy: 15.211
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: 4
=====================================
Write number: 385
Temperature: 4.350000
Total energy: 2.044481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 2.044481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 2.044481 (E_RNA)
where:
Base-Base interactions energy: -11.178
where: short stacking energy: -11.778
Base-Backbone interact. energy: 4.038
local terms energy: 9.184554
where:
bonds (distance) C4'-P energy: 2.712
bonds (distance) P-C4' energy: -11.579
flat angles C4'-P-C4' energy: -1.001
flat angles P-C4'-P energy: 2.159
tors. eta vs tors. theta energy: 16.894
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: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -383.794700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.794700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.794700 (E_RNA)
where:
Base-Base interactions energy: -257.755
where: short stacking energy: -127.967
Base-Backbone interact. energy: -0.128
local terms energy: -125.911339
where:
bonds (distance) C4'-P energy: -25.123
bonds (distance) P-C4' energy: -23.154
flat angles C4'-P-C4' energy: -27.073
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -35.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 386
Temperature: 1.283333
Total energy: -236.889820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.889820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.889820 (E_RNA)
where:
Base-Base interactions energy: -143.334
where: short stacking energy: -74.281
Base-Backbone interact. energy: -0.423
local terms energy: -93.132401
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -17.635
tors. eta vs tors. theta energy: -17.172
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: 8
=====================================
Write number: 386
Temperature: 1.666667
Total energy: -93.159633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.159633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.159633 (E_RNA)
where:
Base-Base interactions energy: -25.291
where: short stacking energy: -25.291
Base-Backbone interact. energy: -0.365
local terms energy: -67.504024
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -21.596
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: 5.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 386
Temperature: 2.050000
Total energy: -60.858443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.858443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.858443 (E_RNA)
where:
Base-Base interactions energy: -8.609
where: short stacking energy: -8.331
Base-Backbone interact. energy: -0.688
local terms energy: -51.561537
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -21.952
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: 11.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 386
Temperature: 2.433333
Total energy: -46.710259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.710259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.710259 (E_RNA)
where:
Base-Base interactions energy: -14.159
where: short stacking energy: -10.412
Base-Backbone interact. energy: 5.477
local terms energy: -38.028327
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -16.689
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: 9.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 386
Temperature: 2.816667
Total energy: -33.915597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.915597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.915597 (E_RNA)
where:
Base-Base interactions energy: -15.394
where: short stacking energy: -14.916
Base-Backbone interact. energy: 0.407
local terms energy: -18.928279
where:
bonds (distance) C4'-P energy: -5.289
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -4.839
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: 12.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 386
Temperature: 3.200000
Total energy: -25.810478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.810478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.810478 (E_RNA)
where:
Base-Base interactions energy: -9.731
where: short stacking energy: -2.745
Base-Backbone interact. energy: 7.223
local terms energy: -23.302434
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -1.585
flat angles P-C4'-P energy: -2.990
tors. eta vs tors. theta energy: 10.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 386
Temperature: 3.583333
Total energy: -11.048688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.048688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.048688 (E_RNA)
where:
Base-Base interactions energy: 0.253
where: short stacking energy: -1.364
Base-Backbone interact. energy: 4.666
local terms energy: -15.967443
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -6.682
flat angles P-C4'-P energy: 1.379
tors. eta vs tors. theta energy: 13.612
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: 4
=====================================
Write number: 386
Temperature: 3.966667
Total energy: -5.959387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.959387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.959387 (E_RNA)
where:
Base-Base interactions energy: -6.842
where: short stacking energy: -6.816
Base-Backbone interact. energy: -0.278
local terms energy: 1.161205
where:
bonds (distance) C4'-P energy: 2.113
bonds (distance) P-C4' energy: -11.434
flat angles C4'-P-C4' energy: -3.967
flat angles P-C4'-P energy: 1.592
tors. eta vs tors. theta energy: 12.857
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: 9
=====================================
Write number: 386
Temperature: 4.350000
Total energy: -0.033006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.033006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.033006 (E_RNA)
where:
Base-Base interactions energy: -3.244
where: short stacking energy: -3.244
Base-Backbone interact. energy: 4.384
local terms energy: -1.172837
where:
bonds (distance) C4'-P energy: -7.849
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -2.006
flat angles P-C4'-P energy: 2.507
tors. eta vs tors. theta energy: 23.691
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: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -385.172673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.172673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.172673 (E_RNA)
where:
Base-Base interactions energy: -256.608
where: short stacking energy: -126.225
Base-Backbone interact. energy: 0.115
local terms energy: -128.679876
where:
bonds (distance) C4'-P energy: -22.904
bonds (distance) P-C4' energy: -26.832
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: -34.557
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: 2
=====================================
Write number: 387
Temperature: 1.283333
Total energy: -212.888449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.888449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.888449 (E_RNA)
where:
Base-Base interactions energy: -122.662
where: short stacking energy: -67.183
Base-Backbone interact. energy: -0.371
local terms energy: -89.855093
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -22.962
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -9.016
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: 8
=====================================
Write number: 387
Temperature: 1.666667
Total energy: -88.146091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.146091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.146091 (E_RNA)
where:
Base-Base interactions energy: -18.122
where: short stacking energy: -17.891
Base-Backbone interact. energy: -1.193
local terms energy: -68.831444
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -23.651
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -18.859
tors. eta vs tors. theta energy: 11.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 387
Temperature: 2.050000
Total energy: -64.879238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.879238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.879238 (E_RNA)
where:
Base-Base interactions energy: -7.196
where: short stacking energy: -7.396
Base-Backbone interact. energy: -0.310
local terms energy: -57.372891
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: 7.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 387
Temperature: 2.433333
Total energy: -45.743347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.743347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.743347 (E_RNA)
where:
Base-Base interactions energy: -20.231
where: short stacking energy: -19.941
Base-Backbone interact. energy: 1.137
local terms energy: -26.649312
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -2.927
flat angles P-C4'-P energy: 3.937
tors. eta vs tors. theta energy: 8.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 387
Temperature: 2.816667
Total energy: -41.871330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.871330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.871330 (E_RNA)
where:
Base-Base interactions energy: -10.547
where: short stacking energy: -4.351
Base-Backbone interact. energy: 1.770
local terms energy: -33.094190
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -23.307
flat angles C4'-P-C4' energy: -8.490
flat angles P-C4'-P energy: -3.106
tors. eta vs tors. theta energy: 14.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 387
Temperature: 3.200000
Total energy: -31.520719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.520719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.520719 (E_RNA)
where:
Base-Base interactions energy: -10.830
where: short stacking energy: -5.077
Base-Backbone interact. energy: -1.129
local terms energy: -19.560859
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -7.575
flat angles P-C4'-P energy: 3.548
tors. eta vs tors. theta energy: 11.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 387
Temperature: 3.583333
Total energy: -28.387396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.387396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.387396 (E_RNA)
where:
Base-Base interactions energy: -5.579
where: short stacking energy: -3.610
Base-Backbone interact. energy: -0.686
local terms energy: -22.121502
where:
bonds (distance) C4'-P energy: -4.447
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: 1.832
tors. eta vs tors. theta energy: 19.123
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: 5
=====================================
Write number: 387
Temperature: 3.966667
Total energy: -10.536090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.536090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.536090 (E_RNA)
where:
Base-Base interactions energy: -2.612
where: short stacking energy: -3.412
Base-Backbone interact. energy: -1.365
local terms energy: -6.558796
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -6.357
flat angles P-C4'-P energy: 3.737
tors. eta vs tors. theta energy: 18.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 387
Temperature: 4.350000
Total energy: -10.906747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.906747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.906747 (E_RNA)
where:
Base-Base interactions energy: 0.087
where: short stacking energy: -1.321
Base-Backbone interact. energy: 4.242
local terms energy: -15.236454
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: 6.211
tors. eta vs tors. theta energy: 16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -366.973900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.973900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.973900 (E_RNA)
where:
Base-Base interactions energy: -240.974
where: short stacking energy: -113.457
Base-Backbone interact. energy: 0.433
local terms energy: -126.433511
where:
bonds (distance) C4'-P energy: -22.507
bonds (distance) P-C4' energy: -27.849
flat angles C4'-P-C4' energy: -29.037
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: -31.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 1.283333
Total energy: -228.579190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.579190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.579190 (E_RNA)
where:
Base-Base interactions energy: -136.738
where: short stacking energy: -77.271
Base-Backbone interact. energy: -0.313
local terms energy: -91.527442
where:
bonds (distance) C4'-P energy: -24.430
bonds (distance) P-C4' energy: -26.012
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -15.985
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: 3, replica: 8
=====================================
Write number: 388
Temperature: 1.666667
Total energy: -98.137291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.137291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.137291 (E_RNA)
where:
Base-Base interactions energy: -32.356
where: short stacking energy: -32.356
Base-Backbone interact. energy: -0.613
local terms energy: -65.168519
where:
bonds (distance) C4'-P energy: -22.550
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -3.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 388
Temperature: 2.050000
Total energy: -61.057397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.057397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.057397 (E_RNA)
where:
Base-Base interactions energy: -12.509
where: short stacking energy: -11.506
Base-Backbone interact. energy: 2.272
local terms energy: -50.820714
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: 15.014
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: 3
=====================================
Write number: 388
Temperature: 2.433333
Total energy: -42.771095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.771095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.771095 (E_RNA)
where:
Base-Base interactions energy: -9.173
where: short stacking energy: -7.932
Base-Backbone interact. energy: -0.803
local terms energy: -32.795391
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: 11.474
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: 10
=====================================
Write number: 388
Temperature: 2.816667
Total energy: -33.703665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.703665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.703665 (E_RNA)
where:
Base-Base interactions energy: -8.172
where: short stacking energy: -6.957
Base-Backbone interact. energy: 2.288
local terms energy: -27.820384
where:
bonds (distance) C4'-P energy: -6.326
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -6.951
flat angles P-C4'-P energy: -2.567
tors. eta vs tors. theta energy: 8.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 3.200000
Total energy: -24.700596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.700596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.700596 (E_RNA)
where:
Base-Base interactions energy: -5.844
where: short stacking energy: -4.123
Base-Backbone interact. energy: -0.911
local terms energy: -17.945942
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -8.945
flat angles C4'-P-C4' energy: -1.498
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: 13.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 388
Temperature: 3.583333
Total energy: -18.442219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.442219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.442219 (E_RNA)
where:
Base-Base interactions energy: -3.067
where: short stacking energy: -2.109
Base-Backbone interact. energy: 4.805
local terms energy: -20.180351
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: 2.417
tors. eta vs tors. theta energy: 17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 388
Temperature: 3.966667
Total energy: -7.614299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.614299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.614299 (E_RNA)
where:
Base-Base interactions energy: -2.520
where: short stacking energy: -2.415
Base-Backbone interact. energy: 5.903
local terms energy: -10.997059
where:
bonds (distance) C4'-P energy: -5.768
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -3.149
tors. eta vs tors. theta energy: 21.354
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: 9
=====================================
Write number: 388
Temperature: 4.350000
Total energy: -0.317987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.317987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.317987 (E_RNA)
where:
Base-Base interactions energy: 1.642
where: short stacking energy: -0.558
Base-Backbone interact. energy: -0.438
local terms energy: -1.521540
where:
bonds (distance) C4'-P energy: -8.797
bonds (distance) P-C4' energy: -9.176
flat angles C4'-P-C4' energy: -0.865
flat angles P-C4'-P energy: 7.277
tors. eta vs tors. theta energy: 10.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -374.304573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.304573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.304573 (E_RNA)
where:
Base-Base interactions energy: -250.041
where: short stacking energy: -123.303
Base-Backbone interact. energy: -0.028
local terms energy: -124.235667
where:
bonds (distance) C4'-P energy: -21.434
bonds (distance) P-C4' energy: -26.173
flat angles C4'-P-C4' energy: -23.989
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -33.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 389
Temperature: 1.283333
Total energy: -248.443397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.443397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.443397 (E_RNA)
where:
Base-Base interactions energy: -150.677
where: short stacking energy: -71.393
Base-Backbone interact. energy: -1.137
local terms energy: -96.628860
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -26.312
flat angles C4'-P-C4' energy: -19.584
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -19.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 389
Temperature: 1.666667
Total energy: -90.502432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.502432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.502432 (E_RNA)
where:
Base-Base interactions energy: -26.136
where: short stacking energy: -21.496
Base-Backbone interact. energy: 0.284
local terms energy: -64.650085
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: 3.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 389
Temperature: 2.050000
Total energy: -64.248395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.248395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.248395 (E_RNA)
where:
Base-Base interactions energy: -17.534
where: short stacking energy: -13.988
Base-Backbone interact. energy: -0.718
local terms energy: -45.997052
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: 10.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 389
Temperature: 2.433333
Total energy: -53.927484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.927484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.927484 (E_RNA)
where:
Base-Base interactions energy: -14.724
where: short stacking energy: -12.072
Base-Backbone interact. energy: 6.744
local terms energy: -45.947989
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -3.799
tors. eta vs tors. theta energy: 8.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 389
Temperature: 2.816667
Total energy: -37.179277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.179277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.179277 (E_RNA)
where:
Base-Base interactions energy: -10.200
where: short stacking energy: -9.414
Base-Backbone interact. energy: -0.273
local terms energy: -26.706360
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -3.645
tors. eta vs tors. theta energy: 13.514
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: 6
=====================================
Write number: 389
Temperature: 3.200000
Total energy: -29.087334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.087334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.087334 (E_RNA)
where:
Base-Base interactions energy: -12.565
where: short stacking energy: -13.428
Base-Backbone interact. energy: -0.717
local terms energy: -15.805091
where:
bonds (distance) C4'-P energy: -9.685
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: 4.062
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: 13.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 389
Temperature: 3.583333
Total energy: -11.800440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.800440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.800440 (E_RNA)
where:
Base-Base interactions energy: 0.845
where: short stacking energy: 2.654
Base-Backbone interact. energy: -0.830
local terms energy: -11.815075
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -8.154
flat angles P-C4'-P energy: 3.601
tors. eta vs tors. theta energy: 20.531
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: 4
=====================================
Write number: 389
Temperature: 3.966667
Total energy: -12.479973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.479973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.479973 (E_RNA)
where:
Base-Base interactions energy: -4.438
where: short stacking energy: -3.302
Base-Backbone interact. energy: -0.520
local terms energy: -7.521816
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -1.252
flat angles P-C4'-P energy: 3.655
tors. eta vs tors. theta energy: 16.067
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: 9
=====================================
Write number: 389
Temperature: 4.350000
Total energy: 3.226319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 3.226319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 3.226319 (E_RNA)
where:
Base-Base interactions energy: -5.217
where: short stacking energy: 6.872
Base-Backbone interact. energy: -1.333
local terms energy: 9.776244
where:
bonds (distance) C4'-P energy: -5.638
bonds (distance) P-C4' energy: 7.454
flat angles C4'-P-C4' energy: -3.761
flat angles P-C4'-P energy: 2.966
tors. eta vs tors. theta energy: 8.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -366.071583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.071583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.071583 (E_RNA)
where:
Base-Base interactions energy: -244.222
where: short stacking energy: -108.792
Base-Backbone interact. energy: -0.366
local terms energy: -121.483928
where:
bonds (distance) C4'-P energy: -26.082
bonds (distance) P-C4' energy: -24.601
flat angles C4'-P-C4' energy: -27.671
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -33.066
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: 2
=====================================
Write number: 390
Temperature: 1.283333
Total energy: -247.777899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.777899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.777899 (E_RNA)
where:
Base-Base interactions energy: -162.699
where: short stacking energy: -73.455
Base-Backbone interact. energy: -0.706
local terms energy: -84.372964
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -24.989
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -12.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 390
Temperature: 1.666667
Total energy: -92.192447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.192447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.192447 (E_RNA)
where:
Base-Base interactions energy: -38.087
where: short stacking energy: -31.502
Base-Backbone interact. energy: -1.439
local terms energy: -52.666179
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: 1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 390
Temperature: 2.050000
Total energy: -62.925579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.925579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.925579 (E_RNA)
where:
Base-Base interactions energy: -10.132
where: short stacking energy: -10.089
Base-Backbone interact. energy: 1.178
local terms energy: -53.971929
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: 9.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 390
Temperature: 2.433333
Total energy: -41.027793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.027793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.027793 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.259
local terms energy: -39.167990
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: 12.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 390
Temperature: 2.816667
Total energy: -32.402007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.402007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.402007 (E_RNA)
where:
Base-Base interactions energy: -15.975
where: short stacking energy: -15.588
Base-Backbone interact. energy: 0.336
local terms energy: -16.763455
where:
bonds (distance) C4'-P energy: -6.903
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: 3.127
tors. eta vs tors. theta energy: 14.295
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: 7, replica: 6
=====================================
Write number: 390
Temperature: 3.200000
Total energy: -27.115374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.115374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.115374 (E_RNA)
where:
Base-Base interactions energy: -8.893
where: short stacking energy: -6.607
Base-Backbone interact. energy: -0.357
local terms energy: -17.865284
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -11.043
flat angles C4'-P-C4' energy: -7.842
flat angles P-C4'-P energy: -0.232
tors. eta vs tors. theta energy: 12.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 390
Temperature: 3.583333
Total energy: -14.774400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.774400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.774400 (E_RNA)
where:
Base-Base interactions energy: -10.592
where: short stacking energy: -9.889
Base-Backbone interact. energy: 2.171
local terms energy: -6.354283
where:
bonds (distance) C4'-P energy: 2.830
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -6.351
flat angles P-C4'-P energy: -0.107
tors. eta vs tors. theta energy: 10.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 390
Temperature: 3.966667
Total energy: -3.160160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.160160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.160160 (E_RNA)
where:
Base-Base interactions energy: -6.153
where: short stacking energy: -1.265
Base-Backbone interact. energy: -0.627
local terms energy: 3.619677
where:
bonds (distance) C4'-P energy: -5.691
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: 7.644
flat angles P-C4'-P energy: -1.913
tors. eta vs tors. theta energy: 15.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 390
Temperature: 4.350000
Total energy: -8.653032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.653032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.653032 (E_RNA)
where:
Base-Base interactions energy: -8.040
where: short stacking energy: -8.559
Base-Backbone interact. energy: -0.445
local terms energy: -0.167510
where:
bonds (distance) C4'-P energy: -9.015
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -0.204
flat angles P-C4'-P energy: 2.410
tors. eta vs tors. theta energy: 18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -378.753634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.753634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.753634 (E_RNA)
where:
Base-Base interactions energy: -253.409
where: short stacking energy: -118.189
Base-Backbone interact. energy: -0.160
local terms energy: -125.184642
where:
bonds (distance) C4'-P energy: -22.211
bonds (distance) P-C4' energy: -29.564
flat angles C4'-P-C4' energy: -25.823
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -34.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 391
Temperature: 1.283333
Total energy: -240.986715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.986715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.986715 (E_RNA)
where:
Base-Base interactions energy: -152.380
where: short stacking energy: -70.898
Base-Backbone interact. energy: -0.395
local terms energy: -88.212314
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -17.956
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 391
Temperature: 1.666667
Total energy: -86.332223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.332223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.332223 (E_RNA)
where:
Base-Base interactions energy: -33.098
where: short stacking energy: -22.307
Base-Backbone interact. energy: -0.620
local terms energy: -52.614650
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: 9.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 391
Temperature: 2.050000
Total energy: -60.594347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.594347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.594347 (E_RNA)
where:
Base-Base interactions energy: -24.075
where: short stacking energy: -17.231
Base-Backbone interact. energy: 0.551
local terms energy: -37.070324
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -3.625
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: 12.268
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: 8
=====================================
Write number: 391
Temperature: 2.433333
Total energy: -41.445255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.445255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.445255 (E_RNA)
where:
Base-Base interactions energy: -15.422
where: short stacking energy: -5.923
Base-Backbone interact. energy: -0.899
local terms energy: -25.123367
where:
bonds (distance) C4'-P energy: -7.924
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: 13.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 391
Temperature: 2.816667
Total energy: -43.564605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.564605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.564605 (E_RNA)
where:
Base-Base interactions energy: -4.387
where: short stacking energy: -2.376
Base-Backbone interact. energy: -0.423
local terms energy: -38.754802
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -2.635
tors. eta vs tors. theta energy: 12.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 391
Temperature: 3.200000
Total energy: -29.621497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.621497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.621497 (E_RNA)
where:
Base-Base interactions energy: -15.107
where: short stacking energy: -13.360
Base-Backbone interact. energy: 3.794
local terms energy: -18.308490
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -7.208
flat angles P-C4'-P energy: 12.369
tors. eta vs tors. theta energy: 5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 391
Temperature: 3.583333
Total energy: -12.423331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.423331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.423331 (E_RNA)
where:
Base-Base interactions energy: -8.695
where: short stacking energy: -7.683
Base-Backbone interact. energy: 2.404
local terms energy: -6.132470
where:
bonds (distance) C4'-P energy: -7.991
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: 3.064
flat angles P-C4'-P energy: 1.052
tors. eta vs tors. theta energy: 18.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 391
Temperature: 3.966667
Total energy: -14.993780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.993780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.993780 (E_RNA)
where:
Base-Base interactions energy: -11.719
where: short stacking energy: -12.348
Base-Backbone interact. energy: -0.433
local terms energy: -2.840973
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -4.222
flat angles C4'-P-C4' energy: 1.546
flat angles P-C4'-P energy: 2.447
tors. eta vs tors. theta energy: 15.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 391
Temperature: 4.350000
Total energy: 0.490952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.490952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.490952 (E_RNA)
where:
Base-Base interactions energy: -0.884
where: short stacking energy: 1.400
Base-Backbone interact. energy: -0.448
local terms energy: 1.822750
where:
bonds (distance) C4'-P energy: -5.818
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -0.132
flat angles P-C4'-P energy: 6.980
tors. eta vs tors. theta energy: 14.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -375.350249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.350249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.350249 (E_RNA)
where:
Base-Base interactions energy: -250.865
where: short stacking energy: -116.331
Base-Backbone interact. energy: -0.072
local terms energy: -124.413381
where:
bonds (distance) C4'-P energy: -25.821
bonds (distance) P-C4' energy: -26.307
flat angles C4'-P-C4' energy: -25.887
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -31.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 392
Temperature: 1.283333
Total energy: -226.226201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.226201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.226201 (E_RNA)
where:
Base-Base interactions energy: -149.416
where: short stacking energy: -68.574
Base-Backbone interact. energy: -0.519
local terms energy: -76.291403
where:
bonds (distance) C4'-P energy: -25.739
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -5.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.666667
Total energy: -85.696871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.696871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.696871 (E_RNA)
where:
Base-Base interactions energy: -23.461
where: short stacking energy: -14.811
Base-Backbone interact. energy: -0.823
local terms energy: -61.412344
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: 1.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 392
Temperature: 2.050000
Total energy: -59.502753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.502753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.502753 (E_RNA)
where:
Base-Base interactions energy: -3.194
where: short stacking energy: -3.194
Base-Backbone interact. energy: 0.368
local terms energy: -56.677383
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: 9.097
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: 8
=====================================
Write number: 392
Temperature: 2.433333
Total energy: -45.342933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.342933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.342933 (E_RNA)
where:
Base-Base interactions energy: -27.078
where: short stacking energy: -22.713
Base-Backbone interact. energy: -1.218
local terms energy: -17.046747
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -9.260
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: 10.208
tors. eta vs tors. theta energy: 2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 392
Temperature: 2.816667
Total energy: -29.726433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.726433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.726433 (E_RNA)
where:
Base-Base interactions energy: -0.198
where: short stacking energy: 0.100
Base-Backbone interact. energy: 0.367
local terms energy: -29.895057
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -4.585
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: 17.829
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: 5
=====================================
Write number: 392
Temperature: 3.200000
Total energy: -18.892276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.892276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.892276 (E_RNA)
where:
Base-Base interactions energy: -14.037
where: short stacking energy: -7.465
Base-Backbone interact. energy: 2.080
local terms energy: -6.935862
where:
bonds (distance) C4'-P energy: -0.289
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -7.085
flat angles P-C4'-P energy: 4.039
tors. eta vs tors. theta energy: 15.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 392
Temperature: 3.583333
Total energy: -12.832783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.832783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.832783 (E_RNA)
where:
Base-Base interactions energy: -13.272
where: short stacking energy: -2.013
Base-Backbone interact. energy: -0.907
local terms energy: 1.345980
where:
bonds (distance) C4'-P energy: -7.804
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: 3.097
flat angles P-C4'-P energy: 4.544
tors. eta vs tors. theta energy: 15.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 392
Temperature: 3.966667
Total energy: -6.531049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.531049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.531049 (E_RNA)
where:
Base-Base interactions energy: -3.967
where: short stacking energy: -3.601
Base-Backbone interact. energy: -0.827
local terms energy: -1.736841
where:
bonds (distance) C4'-P energy: -3.141
bonds (distance) P-C4' energy: -18.824
flat angles C4'-P-C4' energy: 2.576
flat angles P-C4'-P energy: -0.008
tors. eta vs tors. theta energy: 17.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 392
Temperature: 4.350000
Total energy: 3.613913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 3.613913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 3.613913 (E_RNA)
where:
Base-Base interactions energy: -2.010
where: short stacking energy: -1.999
Base-Backbone interact. energy: -0.194
local terms energy: 5.818013
where:
bonds (distance) C4'-P energy: 1.965
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: 4.723
flat angles P-C4'-P energy: -3.780
tors. eta vs tors. theta energy: 13.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -382.116359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.116359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.116359 (E_RNA)
where:
Base-Base interactions energy: -261.001
where: short stacking energy: -124.585
Base-Backbone interact. energy: 0.576
local terms energy: -121.691793
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -26.385
flat angles C4'-P-C4' energy: -27.388
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -31.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 393
Temperature: 1.283333
Total energy: -227.403024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.403024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.403024 (E_RNA)
where:
Base-Base interactions energy: -144.130
where: short stacking energy: -65.539
Base-Backbone interact. energy: -0.841
local terms energy: -82.432177
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -22.535
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 393
Temperature: 1.666667
Total energy: -82.931586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.931586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.931586 (E_RNA)
where:
Base-Base interactions energy: -13.029
where: short stacking energy: -11.390
Base-Backbone interact. energy: 1.643
local terms energy: -71.545866
where:
bonds (distance) C4'-P energy: -26.467
bonds (distance) P-C4' energy: -26.530
flat angles C4'-P-C4' energy: -8.935
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: 4.198
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: 8
=====================================
Write number: 393
Temperature: 2.050000
Total energy: -63.709544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.709544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.709544 (E_RNA)
where:
Base-Base interactions energy: -8.841
where: short stacking energy: -8.344
Base-Backbone interact. energy: -0.542
local terms energy: -54.326082
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -19.223
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: 6.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 393
Temperature: 2.433333
Total energy: -45.997519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.997519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.997519 (E_RNA)
where:
Base-Base interactions energy: -10.626
where: short stacking energy: -11.038
Base-Backbone interact. energy: -1.688
local terms energy: -33.683881
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -7.362
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: 7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 393
Temperature: 2.816667
Total energy: -50.598791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.598791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.598791 (E_RNA)
where:
Base-Base interactions energy: -17.035
where: short stacking energy: -16.143
Base-Backbone interact. energy: 1.525
local terms energy: -35.088586
where:
bonds (distance) C4'-P energy: -8.084
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -6.095
flat angles P-C4'-P energy: -2.615
tors. eta vs tors. theta energy: 4.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 393
Temperature: 3.200000
Total energy: -26.305317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.305317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.305317 (E_RNA)
where:
Base-Base interactions energy: -6.157
where: short stacking energy: -2.723
Base-Backbone interact. energy: 0.077
local terms energy: -20.224712
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -11.027
flat angles C4'-P-C4' energy: -7.070
flat angles P-C4'-P energy: -2.496
tors. eta vs tors. theta energy: 14.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 393
Temperature: 3.583333
Total energy: -14.721877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.721877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.721877 (E_RNA)
where:
Base-Base interactions energy: -1.074
where: short stacking energy: -1.074
Base-Backbone interact. energy: 0.480
local terms energy: -14.128567
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: 12.079
tors. eta vs tors. theta energy: 15.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 393
Temperature: 3.966667
Total energy: -15.115537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.115537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.115537 (E_RNA)
where:
Base-Base interactions energy: -7.103
where: short stacking energy: -5.208
Base-Backbone interact. energy: 0.969
local terms energy: -8.980895
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -10.292
flat angles C4'-P-C4' energy: -6.253
flat angles P-C4'-P energy: 3.860
tors. eta vs tors. theta energy: 17.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 393
Temperature: 4.350000
Total energy: -6.955655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.955655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.955655 (E_RNA)
where:
Base-Base interactions energy: -0.491
where: short stacking energy: 0.000
Base-Backbone interact. energy: 1.150
local terms energy: -7.614662
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -12.959
flat angles C4'-P-C4' energy: -0.008
flat angles P-C4'-P energy: 7.054
tors. eta vs tors. theta energy: 13.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -366.366990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.366990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.366990 (E_RNA)
where:
Base-Base interactions energy: -249.463
where: short stacking energy: -109.754
Base-Backbone interact. energy: -0.025
local terms energy: -116.879097
where:
bonds (distance) C4'-P energy: -27.231
bonds (distance) P-C4' energy: -26.860
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -24.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 394
Temperature: 1.283333
Total energy: -227.808760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.808760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.808760 (E_RNA)
where:
Base-Base interactions energy: -143.569
where: short stacking energy: -73.093
Base-Backbone interact. energy: 0.167
local terms energy: -84.406545
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -16.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 394
Temperature: 1.666667
Total energy: -77.860892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.860892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.860892 (E_RNA)
where:
Base-Base interactions energy: -24.281
where: short stacking energy: -20.340
Base-Backbone interact. energy: 0.464
local terms energy: -54.043026
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: 9.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 394
Temperature: 2.050000
Total energy: -56.954117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.954117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.954117 (E_RNA)
where:
Base-Base interactions energy: -15.810
where: short stacking energy: -14.133
Base-Backbone interact. energy: -0.660
local terms energy: -40.483886
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: 12.408
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: 5
=====================================
Write number: 394
Temperature: 2.433333
Total energy: -47.200941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.200941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.200941 (E_RNA)
where:
Base-Base interactions energy: -24.890
where: short stacking energy: -21.515
Base-Backbone interact. energy: 0.833
local terms energy: -23.143970
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -8.283
flat angles C4'-P-C4' energy: -6.904
flat angles P-C4'-P energy: 0.966
tors. eta vs tors. theta energy: 10.405
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: 10
=====================================
Write number: 394
Temperature: 2.816667
Total energy: -30.313267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.313267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.313267 (E_RNA)
where:
Base-Base interactions energy: -7.895
where: short stacking energy: -7.733
Base-Backbone interact. energy: 3.531
local terms energy: -25.948557
where:
bonds (distance) C4'-P energy: -6.029
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: 0.056
tors. eta vs tors. theta energy: 8.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 394
Temperature: 3.200000
Total energy: -28.575814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.575814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.575814 (E_RNA)
where:
Base-Base interactions energy: -4.780
where: short stacking energy: -2.792
Base-Backbone interact. energy: -0.371
local terms energy: -23.424680
where:
bonds (distance) C4'-P energy: -5.813
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -1.017
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: 11.728
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: 9
=====================================
Write number: 394
Temperature: 3.583333
Total energy: -9.170055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.170055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.170055 (E_RNA)
where:
Base-Base interactions energy: -0.187
where: short stacking energy: -0.787
Base-Backbone interact. energy: 0.899
local terms energy: -9.881103
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -1.222
flat angles P-C4'-P energy: -0.216
tors. eta vs tors. theta energy: 14.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 394
Temperature: 3.966667
Total energy: -2.443976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.443976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.443976 (E_RNA)
where:
Base-Base interactions energy: -2.397
where: short stacking energy: 0.000
Base-Backbone interact. energy: 1.502
local terms energy: -1.549687
where:
bonds (distance) C4'-P energy: -0.967
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -4.131
flat angles P-C4'-P energy: 5.203
tors. eta vs tors. theta energy: 16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 394
Temperature: 4.350000
Total energy: -2.861452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.861452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.861452 (E_RNA)
where:
Base-Base interactions energy: -8.304
where: short stacking energy: -3.714
Base-Backbone interact. energy: 3.467
local terms energy: 1.975688
where:
bonds (distance) C4'-P energy: -4.292
bonds (distance) P-C4' energy: -9.104
flat angles C4'-P-C4' energy: -2.359
flat angles P-C4'-P energy: -1.582
tors. eta vs tors. theta energy: 19.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -367.137059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.137059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.137059 (E_RNA)
where:
Base-Base interactions energy: -245.680
where: short stacking energy: -114.345
Base-Backbone interact. energy: -0.095
local terms energy: -121.361667
where:
bonds (distance) C4'-P energy: -21.280
bonds (distance) P-C4' energy: -28.178
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -32.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 1.283333
Total energy: -244.300132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.300132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.300132 (E_RNA)
where:
Base-Base interactions energy: -155.347
where: short stacking energy: -71.448
Base-Backbone interact. energy: 1.921
local terms energy: -90.874195
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -14.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 395
Temperature: 1.666667
Total energy: -83.464441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.464441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.464441 (E_RNA)
where:
Base-Base interactions energy: -25.717
where: short stacking energy: -24.620
Base-Backbone interact. energy: 2.465
local terms energy: -60.212271
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -8.684
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: 3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 395
Temperature: 2.050000
Total energy: -61.155178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.155178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.155178 (E_RNA)
where:
Base-Base interactions energy: -14.666
where: short stacking energy: -15.378
Base-Backbone interact. energy: 1.352
local terms energy: -47.841155
where:
bonds (distance) C4'-P energy: -21.090
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: 3.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 395
Temperature: 2.433333
Total energy: -51.692327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.692327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.692327 (E_RNA)
where:
Base-Base interactions energy: -5.839
where: short stacking energy: -0.010
Base-Backbone interact. energy: -1.289
local terms energy: -44.564395
where:
bonds (distance) C4'-P energy: -21.147
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: 18.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 395
Temperature: 2.816667
Total energy: -46.669011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.669011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.669011 (E_RNA)
where:
Base-Base interactions energy: -19.302
where: short stacking energy: -17.972
Base-Backbone interact. energy: 2.332
local terms energy: -29.698889
where:
bonds (distance) C4'-P energy: -2.887
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -5.964
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: 9.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 395
Temperature: 3.200000
Total energy: -25.348825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.348825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.348825 (E_RNA)
where:
Base-Base interactions energy: -7.107
where: short stacking energy: -6.395
Base-Backbone interact. energy: 0.249
local terms energy: -18.490808
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: 4.596
flat angles P-C4'-P energy: 0.386
tors. eta vs tors. theta energy: 15.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 395
Temperature: 3.583333
Total energy: -18.318127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.318127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.318127 (E_RNA)
where:
Base-Base interactions energy: -10.039
where: short stacking energy: -4.789
Base-Backbone interact. energy: 3.401
local terms energy: -11.679907
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -1.330
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: 2.535
tors. eta vs tors. theta energy: 16.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 3.966667
Total energy: -11.698814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.698814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.698814 (E_RNA)
where:
Base-Base interactions energy: -9.941
where: short stacking energy: -9.110
Base-Backbone interact. energy: 4.785
local terms energy: -6.543665
where:
bonds (distance) C4'-P energy: -9.115
bonds (distance) P-C4' energy: -9.145
flat angles C4'-P-C4' energy: 3.948
flat angles P-C4'-P energy: -1.039
tors. eta vs tors. theta energy: 8.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 395
Temperature: 4.350000
Total energy: -2.229828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.229828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.229828 (E_RNA)
where:
Base-Base interactions energy: -3.823
where: short stacking energy: -2.209
Base-Backbone interact. energy: 5.801
local terms energy: -4.208606
where:
bonds (distance) C4'-P energy: -9.074
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -7.599
flat angles P-C4'-P energy: 2.825
tors. eta vs tors. theta energy: 16.075
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: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -378.100247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.100247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.100247 (E_RNA)
where:
Base-Base interactions energy: -261.240
where: short stacking energy: -121.475
Base-Backbone interact. energy: -0.020
local terms energy: -116.839748
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -24.943
flat angles C4'-P-C4' energy: -26.309
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -32.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 1.283333
Total energy: -170.954944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.954944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.954944 (E_RNA)
where:
Base-Base interactions energy: -94.152
where: short stacking energy: -56.550
Base-Backbone interact. energy: -0.268
local terms energy: -76.534689
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -9.063
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: 7
=====================================
Write number: 396
Temperature: 1.666667
Total energy: -87.420371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.420371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.420371 (E_RNA)
where:
Base-Base interactions energy: -19.684
where: short stacking energy: -19.684
Base-Backbone interact. energy: 0.126
local terms energy: -67.862466
where:
bonds (distance) C4'-P energy: -26.756
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: 6.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 2.050000
Total energy: -67.670857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.670857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.670857 (E_RNA)
where:
Base-Base interactions energy: -16.323
where: short stacking energy: -8.943
Base-Backbone interact. energy: 0.815
local terms energy: -52.162931
where:
bonds (distance) C4'-P energy: -8.903
bonds (distance) P-C4' energy: -22.005
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: 8.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 2.433333
Total energy: -43.398274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.398274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.398274 (E_RNA)
where:
Base-Base interactions energy: -4.392
where: short stacking energy: -6.092
Base-Backbone interact. energy: 0.612
local terms energy: -39.618466
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: 13.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 396
Temperature: 2.816667
Total energy: -32.902882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.902882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.902882 (E_RNA)
where:
Base-Base interactions energy: -4.182
where: short stacking energy: -4.182
Base-Backbone interact. energy: -0.843
local terms energy: -27.877926
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -9.008
flat angles P-C4'-P energy: -1.925
tors. eta vs tors. theta energy: 14.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 396
Temperature: 3.200000
Total energy: -25.740587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.740587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.740587 (E_RNA)
where:
Base-Base interactions energy: -8.287
where: short stacking energy: -8.287
Base-Backbone interact. energy: 0.589
local terms energy: -18.042311
where:
bonds (distance) C4'-P energy: -8.992
bonds (distance) P-C4' energy: -5.690
flat angles C4'-P-C4' energy: -9.117
flat angles P-C4'-P energy: -2.806
tors. eta vs tors. theta energy: 8.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 3.583333
Total energy: -15.277159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.277159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.277159 (E_RNA)
where:
Base-Base interactions energy: -2.067
where: short stacking energy: 2.230
Base-Backbone interact. energy: -0.373
local terms energy: -12.837777
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -6.691
flat angles P-C4'-P energy: 2.341
tors. eta vs tors. theta energy: 17.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 396
Temperature: 3.966667
Total energy: -12.606631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.606631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.606631 (E_RNA)
where:
Base-Base interactions energy: -7.740
where: short stacking energy: -5.594
Base-Backbone interact. energy: -1.079
local terms energy: -3.787248
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -21.759
flat angles C4'-P-C4' energy: -4.210
flat angles P-C4'-P energy: 16.858
tors. eta vs tors. theta energy: 18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 4.350000
Total energy: -2.765038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.765038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.765038 (E_RNA)
where:
Base-Base interactions energy: -9.596
where: short stacking energy: -4.260
Base-Backbone interact. energy: 8.673
local terms energy: -1.842219
where:
bonds (distance) C4'-P energy: -9.518
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -0.225
flat angles P-C4'-P energy: 7.250
tors. eta vs tors. theta energy: 14.647
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: 1
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -360.173467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.173467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.173467 (E_RNA)
where:
Base-Base interactions energy: -238.533
where: short stacking energy: -108.803
Base-Backbone interact. energy: -0.306
local terms energy: -121.334943
where:
bonds (distance) C4'-P energy: -27.211
bonds (distance) P-C4' energy: -24.537
flat angles C4'-P-C4' energy: -23.715
flat angles P-C4'-P energy: -16.814
tors. eta vs tors. theta energy: -29.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 397
Temperature: 1.283333
Total energy: -128.858844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.858844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.858844 (E_RNA)
where:
Base-Base interactions energy: -48.466
where: short stacking energy: -42.430
Base-Backbone interact. energy: -0.828
local terms energy: -79.564465
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -21.101
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -3.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 397
Temperature: 1.666667
Total energy: -90.284509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.284509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.284509 (E_RNA)
where:
Base-Base interactions energy: -35.423
where: short stacking energy: -29.410
Base-Backbone interact. energy: -0.294
local terms energy: -54.567609
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: 1.891
tors. eta vs tors. theta energy: 4.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 397
Temperature: 2.050000
Total energy: -64.773625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.773625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.773625 (E_RNA)
where:
Base-Base interactions energy: -18.340
where: short stacking energy: -13.721
Base-Backbone interact. energy: -0.629
local terms energy: -45.804529
where:
bonds (distance) C4'-P energy: -5.225
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: 5.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 397
Temperature: 2.433333
Total energy: -40.817556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.817556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.817556 (E_RNA)
where:
Base-Base interactions energy: -3.478
where: short stacking energy: -3.354
Base-Backbone interact. energy: -0.335
local terms energy: -37.004002
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -22.329
flat angles C4'-P-C4' energy: -0.347
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: 12.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 397
Temperature: 2.816667
Total energy: -26.060875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.060875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.060875 (E_RNA)
where:
Base-Base interactions energy: -5.352
where: short stacking energy: -1.822
Base-Backbone interact. energy: 0.084
local terms energy: -20.792033
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -8.159
flat angles P-C4'-P energy: 3.849
tors. eta vs tors. theta energy: 12.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 397
Temperature: 3.200000
Total energy: -24.393492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.393492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.393492 (E_RNA)
where:
Base-Base interactions energy: -8.803
where: short stacking energy: -5.250
Base-Backbone interact. energy: -1.072
local terms energy: -14.518577
where:
bonds (distance) C4'-P energy: -9.140
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -6.320
flat angles P-C4'-P energy: -1.161
tors. eta vs tors. theta energy: 15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 397
Temperature: 3.583333
Total energy: -23.903747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.903747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.903747 (E_RNA)
where:
Base-Base interactions energy: -3.338
where: short stacking energy: -3.338
Base-Backbone interact. energy: 3.605
local terms energy: -24.170897
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -2.550
tors. eta vs tors. theta energy: 12.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 397
Temperature: 3.966667
Total energy: -13.696461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.696461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.696461 (E_RNA)
where:
Base-Base interactions energy: -10.612
where: short stacking energy: -5.436
Base-Backbone interact. energy: -0.585
local terms energy: -2.499091
where:
bonds (distance) C4'-P energy: -4.873
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: 4.378
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: 18.691
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: 9
=====================================
Write number: 397
Temperature: 4.350000
Total energy: -12.946797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.946797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.946797 (E_RNA)
where:
Base-Base interactions energy: -9.133
where: short stacking energy: -7.366
Base-Backbone interact. energy: 2.223
local terms energy: -6.037064
where:
bonds (distance) C4'-P energy: -3.178
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -8.542
flat angles P-C4'-P energy: 1.069
tors. eta vs tors. theta energy: 14.918
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: 398
Temperature: 0.900000
Total energy: -367.905206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.905206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.905206 (E_RNA)
where:
Base-Base interactions energy: -246.673
where: short stacking energy: -119.704
Base-Backbone interact. energy: -0.168
local terms energy: -121.064119
where:
bonds (distance) C4'-P energy: -27.886
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -23.672
flat angles P-C4'-P energy: -17.027
tors. eta vs tors. theta energy: -29.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 398
Temperature: 1.283333
Total energy: -137.663119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.663119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.663119 (E_RNA)
where:
Base-Base interactions energy: -60.636
where: short stacking energy: -47.943
Base-Backbone interact. energy: -0.130
local terms energy: -76.897172
where:
bonds (distance) C4'-P energy: -25.418
bonds (distance) P-C4' energy: -24.347
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 398
Temperature: 1.666667
Total energy: -92.591824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.591824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.591824 (E_RNA)
where:
Base-Base interactions energy: -42.329
where: short stacking energy: -30.353
Base-Backbone interact. energy: -1.315
local terms energy: -48.948598
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: 9.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 398
Temperature: 2.050000
Total energy: -62.097732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.097732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.097732 (E_RNA)
where:
Base-Base interactions energy: -18.391
where: short stacking energy: -18.259
Base-Backbone interact. energy: -0.601
local terms energy: -43.105669
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -2.944
tors. eta vs tors. theta energy: 6.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 398
Temperature: 2.433333
Total energy: -54.994001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.994001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.994001 (E_RNA)
where:
Base-Base interactions energy: -13.366
where: short stacking energy: -10.381
Base-Backbone interact. energy: 0.580
local terms energy: -42.207748
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -26.676
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: 9.161
tors. eta vs tors. theta energy: 8.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 398
Temperature: 2.816667
Total energy: -35.901363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.901363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.901363 (E_RNA)
where:
Base-Base interactions energy: -7.401
where: short stacking energy: -2.755
Base-Backbone interact. energy: -0.479
local terms energy: -28.020993
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: -2.466
tors. eta vs tors. theta energy: 17.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 398
Temperature: 3.200000
Total energy: -32.923375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.923375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.923375 (E_RNA)
where:
Base-Base interactions energy: -2.644
where: short stacking energy: -2.644
Base-Backbone interact. energy: 1.248
local terms energy: -31.527640
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -22.061
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -4.059
tors. eta vs tors. theta energy: 14.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 398
Temperature: 3.583333
Total energy: -17.553142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.553142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.553142 (E_RNA)
where:
Base-Base interactions energy: -4.298
where: short stacking energy: -3.346
Base-Backbone interact. energy: -0.099
local terms energy: -13.155809
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -2.486
flat angles P-C4'-P energy: 0.030
tors. eta vs tors. theta energy: 13.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 398
Temperature: 3.966667
Total energy: -9.995971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.995971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.995971 (E_RNA)
where:
Base-Base interactions energy: -15.339
where: short stacking energy: -5.323
Base-Backbone interact. energy: 7.252
local terms energy: -1.908446
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: 2.333
flat angles P-C4'-P energy: 6.040
tors. eta vs tors. theta energy: 17.620
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: 6
=====================================
Write number: 398
Temperature: 4.350000
Total energy: 1.363715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.363715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.363715 (E_RNA)
where:
Base-Base interactions energy: -2.080
where: short stacking energy: -1.366
Base-Backbone interact. energy: 12.245
local terms energy: -8.800565
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -6.524
flat angles C4'-P-C4' energy: -2.767
flat angles P-C4'-P energy: -0.708
tors. eta vs tors. theta energy: 19.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -354.910836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.910836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.910836 (E_RNA)
where:
Base-Base interactions energy: -242.317
where: short stacking energy: -130.470
Base-Backbone interact. energy: -0.040
local terms energy: -112.553689
where:
bonds (distance) C4'-P energy: -25.401
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -23.640
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -30.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 399
Temperature: 1.283333
Total energy: -136.889691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.889691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.889691 (E_RNA)
where:
Base-Base interactions energy: -58.398
where: short stacking energy: -53.561
Base-Backbone interact. energy: -0.277
local terms energy: -78.213996
where:
bonds (distance) C4'-P energy: -19.942
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -21.307
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -6.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 399
Temperature: 1.666667
Total energy: -79.114156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.114156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.114156 (E_RNA)
where:
Base-Base interactions energy: -24.649
where: short stacking energy: -16.369
Base-Backbone interact. energy: 1.248
local terms energy: -55.712622
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -22.505
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: 5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 399
Temperature: 2.050000
Total energy: -67.204485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.204485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.204485 (E_RNA)
where:
Base-Base interactions energy: -16.374
where: short stacking energy: -10.439
Base-Backbone interact. energy: 0.163
local terms energy: -50.993221
where:
bonds (distance) C4'-P energy: -23.979
bonds (distance) P-C4' energy: -20.909
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -0.262
tors. eta vs tors. theta energy: 12.794
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: 5, replica: 7
=====================================
Write number: 399
Temperature: 2.433333
Total energy: -48.736916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.736916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.736916 (E_RNA)
where:
Base-Base interactions energy: -15.431
where: short stacking energy: -14.624
Base-Backbone interact. energy: 0.294
local terms energy: -33.599925
where:
bonds (distance) C4'-P energy: -9.085
bonds (distance) P-C4' energy: -7.671
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: 4.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 2.816667
Total energy: -32.648516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.648516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.648516 (E_RNA)
where:
Base-Base interactions energy: -12.508
where: short stacking energy: -10.481
Base-Backbone interact. energy: -0.389
local terms energy: -19.751074
where:
bonds (distance) C4'-P energy: -9.864
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -5.279
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: 12.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 399
Temperature: 3.200000
Total energy: -25.216020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.216020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.216020 (E_RNA)
where:
Base-Base interactions energy: -3.094
where: short stacking energy: -1.670
Base-Backbone interact. energy: 4.891
local terms energy: -27.013273
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -0.807
flat angles P-C4'-P energy: 3.588
tors. eta vs tors. theta energy: 7.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 3.583333
Total energy: -17.749859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.749859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.749859 (E_RNA)
where:
Base-Base interactions energy: -3.299
where: short stacking energy: -1.116
Base-Backbone interact. energy: 1.969
local terms energy: -16.419872
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: 3.583
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: 15.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 3.966667
Total energy: -8.891820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.891820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.891820 (E_RNA)
where:
Base-Base interactions energy: -3.355
where: short stacking energy: -3.355
Base-Backbone interact. energy: -0.471
local terms energy: -5.066289
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -10.249
flat angles C4'-P-C4' energy: -0.300
flat angles P-C4'-P energy: 2.386
tors. eta vs tors. theta energy: 19.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 399
Temperature: 4.350000
Total energy: 5.006810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 5.006810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 5.006810 (E_RNA)
where:
Base-Base interactions energy: -3.163
where: short stacking energy: -2.492
Base-Backbone interact. energy: 4.130
local terms energy: 4.040145
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -3.589
flat angles C4'-P-C4' energy: -0.978
flat angles P-C4'-P energy: 4.235
tors. eta vs tors. theta energy: 15.585
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: 1
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -361.007033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.007033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.007033 (E_RNA)
where:
Base-Base interactions energy: -250.626
where: short stacking energy: -120.570
Base-Backbone interact. energy: -1.708
local terms energy: -108.672244
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -27.517
flat angles C4'-P-C4' energy: -22.815
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -29.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 400
Temperature: 1.283333
Total energy: -135.636278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.636278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.636278 (E_RNA)
where:
Base-Base interactions energy: -58.873
where: short stacking energy: -52.416
Base-Backbone interact. energy: 0.895
local terms energy: -77.657955
where:
bonds (distance) C4'-P energy: -25.386
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -8.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 400
Temperature: 1.666667
Total energy: -84.974916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.974916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.974916 (E_RNA)
where:
Base-Base interactions energy: -33.288
where: short stacking energy: -23.031
Base-Backbone interact. energy: 2.133
local terms energy: -53.819286
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: 5.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 400
Temperature: 2.050000
Total energy: -67.525917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.525917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.525917 (E_RNA)
where:
Base-Base interactions energy: -19.290
where: short stacking energy: -12.204
Base-Backbone interact. energy: -0.713
local terms energy: -47.522563
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -18.307
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: 7.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 400
Temperature: 2.433333
Total energy: -47.085967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.085967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.085967 (E_RNA)
where:
Base-Base interactions energy: -8.073
where: short stacking energy: -6.210
Base-Backbone interact. energy: 2.610
local terms energy: -41.623140
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: 16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 400
Temperature: 2.816667
Total energy: -34.991504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.991504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.991504 (E_RNA)
where:
Base-Base interactions energy: -9.505
where: short stacking energy: -9.505
Base-Backbone interact. energy: 7.005
local terms energy: -32.492171
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -2.510
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: 10.043
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: 7, replica: 4
=====================================
Write number: 400
Temperature: 3.200000
Total energy: -24.093230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.093230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.093230 (E_RNA)
where:
Base-Base interactions energy: -10.832
where: short stacking energy: -5.968
Base-Backbone interact. energy: 2.717
local terms energy: -15.978205
where:
bonds (distance) C4'-P energy: -7.634
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: 1.529
tors. eta vs tors. theta energy: 15.975
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: 3
=====================================
Write number: 400
Temperature: 3.583333
Total energy: -18.790403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.790403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.790403 (E_RNA)
where:
Base-Base interactions energy: -8.086
where: short stacking energy: -1.806
Base-Backbone interact. energy: -1.426
local terms energy: -9.278542
where:
bonds (distance) C4'-P energy: -8.950
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -0.484
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: 20.660
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: 6
=====================================
Write number: 400
Temperature: 3.966667
Total energy: -14.999581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.999581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.999581 (E_RNA)
where:
Base-Base interactions energy: -3.018
where: short stacking energy: -2.188
Base-Backbone interact. energy: 2.418
local terms energy: -14.399332
where:
bonds (distance) C4'-P energy: -8.725
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -2.752
flat angles P-C4'-P energy: 0.058
tors. eta vs tors. theta energy: 11.569
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: 9
=====================================
Write number: 400
Temperature: 4.350000
Total energy: -0.526033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.526033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.526033 (E_RNA)
where:
Base-Base interactions energy: -2.024
where: short stacking energy: -2.220
Base-Backbone interact. energy: 0.097
local terms energy: 1.400904
where:
bonds (distance) C4'-P energy: -5.729
bonds (distance) P-C4' energy: -8.999
flat angles C4'-P-C4' energy: 2.963
flat angles P-C4'-P energy: -3.566
tors. eta vs tors. theta energy: 16.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -365.376728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.376728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.376728 (E_RNA)
where:
Base-Base interactions energy: -242.868
where: short stacking energy: -115.818
Base-Backbone interact. energy: -0.287
local terms energy: -122.221400
where:
bonds (distance) C4'-P energy: -24.449
bonds (distance) P-C4' energy: -25.127
flat angles C4'-P-C4' energy: -24.744
flat angles P-C4'-P energy: -19.984
tors. eta vs tors. theta energy: -27.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 401
Temperature: 1.283333
Total energy: -129.447039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.447039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.447039 (E_RNA)
where:
Base-Base interactions energy: -47.624
where: short stacking energy: -47.624
Base-Backbone interact. energy: 0.720
local terms energy: -82.542783
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -22.612
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -7.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 401
Temperature: 1.666667
Total energy: -93.891182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.891182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.891182 (E_RNA)
where:
Base-Base interactions energy: -27.142
where: short stacking energy: -18.700
Base-Backbone interact. energy: 0.083
local terms energy: -66.832882
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: 6.566
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: 401
Temperature: 2.050000
Total energy: -55.429130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.429130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.429130 (E_RNA)
where:
Base-Base interactions energy: -11.163
where: short stacking energy: -8.367
Base-Backbone interact. energy: -0.749
local terms energy: -43.516346
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: 16.741
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: 5
=====================================
Write number: 401
Temperature: 2.433333
Total energy: -51.668446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.668446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.668446 (E_RNA)
where:
Base-Base interactions energy: -16.040
where: short stacking energy: -15.949
Base-Backbone interact. energy: 0.730
local terms energy: -36.358698
where:
bonds (distance) C4'-P energy: -6.144
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: 10.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 401
Temperature: 2.816667
Total energy: -30.712254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.712254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.712254 (E_RNA)
where:
Base-Base interactions energy: -11.566
where: short stacking energy: -4.724
Base-Backbone interact. energy: 0.095
local terms energy: -19.240977
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -9.543
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -0.681
tors. eta vs tors. theta energy: 14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 401
Temperature: 3.200000
Total energy: -24.418084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.418084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.418084 (E_RNA)
where:
Base-Base interactions energy: -3.999
where: short stacking energy: -3.415
Base-Backbone interact. energy: 0.097
local terms energy: -20.515568
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -4.772
flat angles P-C4'-P energy: -0.994
tors. eta vs tors. theta energy: 14.433
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: 3
=====================================
Write number: 401
Temperature: 3.583333
Total energy: -14.979957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.979957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.979957 (E_RNA)
where:
Base-Base interactions energy: -4.632
where: short stacking energy: -8.180
Base-Backbone interact. energy: -0.795
local terms energy: -9.553768
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -9.227
flat angles C4'-P-C4' energy: -1.497
flat angles P-C4'-P energy: 2.708
tors. eta vs tors. theta energy: 13.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 401
Temperature: 3.966667
Total energy: -10.133156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.133156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.133156 (E_RNA)
where:
Base-Base interactions energy: -6.345
where: short stacking energy: -4.022
Base-Backbone interact. energy: 2.963
local terms energy: -6.751623
where:
bonds (distance) C4'-P energy: -0.763
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: 8.126
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: 10.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 401
Temperature: 4.350000
Total energy: -4.473632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.473632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.473632 (E_RNA)
where:
Base-Base interactions energy: -8.556
where: short stacking energy: -3.962
Base-Backbone interact. energy: 5.659
local terms energy: -1.576560
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -7.248
flat angles C4'-P-C4' energy: 3.737
flat angles P-C4'-P energy: 0.753
tors. eta vs tors. theta energy: 12.511
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: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -362.902520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.902520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.902520 (E_RNA)
where:
Base-Base interactions energy: -255.332
where: short stacking energy: -111.118
Base-Backbone interact. energy: -0.080
local terms energy: -107.490622
where:
bonds (distance) C4'-P energy: -23.569
bonds (distance) P-C4' energy: -26.112
flat angles C4'-P-C4' energy: -19.442
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -27.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 1.283333
Total energy: -158.689363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.689363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.689363 (E_RNA)
where:
Base-Base interactions energy: -70.324
where: short stacking energy: -59.732
Base-Backbone interact. energy: 0.861
local terms energy: -89.226386
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -19.163
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -15.255
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: 8
=====================================
Write number: 402
Temperature: 1.666667
Total energy: -84.188370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.188370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.188370 (E_RNA)
where:
Base-Base interactions energy: -30.637
where: short stacking energy: -29.113
Base-Backbone interact. energy: -0.282
local terms energy: -53.269948
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -22.467
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: 9.535
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: 10
=====================================
Write number: 402
Temperature: 2.050000
Total energy: -63.394894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.394894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.394894 (E_RNA)
where:
Base-Base interactions energy: -24.219
where: short stacking energy: -24.219
Base-Backbone interact. energy: 0.224
local terms energy: -39.399528
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -2.658
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: 7.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 402
Temperature: 2.433333
Total energy: -44.748090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.748090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.748090 (E_RNA)
where:
Base-Base interactions energy: -18.683
where: short stacking energy: -15.899
Base-Backbone interact. energy: 1.779
local terms energy: -27.844233
where:
bonds (distance) C4'-P energy: -3.877
bonds (distance) P-C4' energy: -8.116
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: 8.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 2.816667
Total energy: -30.021023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.021023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.021023 (E_RNA)
where:
Base-Base interactions energy: -13.765
where: short stacking energy: -8.482
Base-Backbone interact. energy: 0.009
local terms energy: -16.265742
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -9.586
flat angles C4'-P-C4' energy: 3.674
flat angles P-C4'-P energy: -4.270
tors. eta vs tors. theta energy: 12.384
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: 7
=====================================
Write number: 402
Temperature: 3.200000
Total energy: -19.089038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.089038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.089038 (E_RNA)
where:
Base-Base interactions energy: -8.670
where: short stacking energy: -3.806
Base-Backbone interact. energy: -1.485
local terms energy: -8.933686
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -5.848
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -0.189
tors. eta vs tors. theta energy: 20.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 402
Temperature: 3.583333
Total energy: -8.847309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.847309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.847309 (E_RNA)
where:
Base-Base interactions energy: -5.462
where: short stacking energy: -2.851
Base-Backbone interact. energy: -0.690
local terms energy: -2.694964
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -4.456
flat angles P-C4'-P energy: 9.869
tors. eta vs tors. theta energy: 18.520
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: 9
=====================================
Write number: 402
Temperature: 3.966667
Total energy: -9.910734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.910734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.910734 (E_RNA)
where:
Base-Base interactions energy: 4.889
where: short stacking energy: 4.889
Base-Backbone interact. energy: 7.934
local terms energy: -22.734021
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -3.621
flat angles P-C4'-P energy: -1.813
tors. eta vs tors. theta energy: 13.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 402
Temperature: 4.350000
Total energy: -0.060285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.060285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.060285 (E_RNA)
where:
Base-Base interactions energy: -1.545
where: short stacking energy: 0.375
Base-Backbone interact. energy: 4.952
local terms energy: -3.467077
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: 4.977
flat angles P-C4'-P energy: 4.874
tors. eta vs tors. theta energy: 18.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -377.599449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.599449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.599449 (E_RNA)
where:
Base-Base interactions energy: -252.028
where: short stacking energy: -123.547
Base-Backbone interact. energy: -0.035
local terms energy: -125.536404
where:
bonds (distance) C4'-P energy: -22.064
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -29.957
flat angles P-C4'-P energy: -15.865
tors. eta vs tors. theta energy: -33.081
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: 2
=====================================
Write number: 403
Temperature: 1.283333
Total energy: -142.057896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.057896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.057896 (E_RNA)
where:
Base-Base interactions energy: -61.554
where: short stacking energy: -61.322
Base-Backbone interact. energy: -0.341
local terms energy: -80.162869
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -25.252
flat angles C4'-P-C4' energy: -19.268
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -7.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 403
Temperature: 1.666667
Total energy: -89.003903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.003903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.003903 (E_RNA)
where:
Base-Base interactions energy: -34.418
where: short stacking energy: -33.726
Base-Backbone interact. energy: -0.414
local terms energy: -54.171137
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -3.381
tors. eta vs tors. theta energy: 1.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 403
Temperature: 2.050000
Total energy: -59.074953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.074953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.074953 (E_RNA)
where:
Base-Base interactions energy: -11.909
where: short stacking energy: -11.419
Base-Backbone interact. energy: 5.302
local terms energy: -52.467662
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: 12.198
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: 403
Temperature: 2.433333
Total energy: -48.501787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.501787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.501787 (E_RNA)
where:
Base-Base interactions energy: -18.313
where: short stacking energy: -18.070
Base-Backbone interact. energy: 1.511
local terms energy: -31.699002
where:
bonds (distance) C4'-P energy: -24.578
bonds (distance) P-C4' energy: -2.746
flat angles C4'-P-C4' energy: -7.702
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: 8.760
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: 7
=====================================
Write number: 403
Temperature: 2.816667
Total energy: -33.309142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.309142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.309142 (E_RNA)
where:
Base-Base interactions energy: -2.628
where: short stacking energy: -1.762
Base-Backbone interact. energy: 3.166
local terms energy: -33.846745
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: 19.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 403
Temperature: 3.200000
Total energy: -27.720136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.720136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.720136 (E_RNA)
where:
Base-Base interactions energy: -8.639
where: short stacking energy: -4.956
Base-Backbone interact. energy: 1.759
local terms energy: -20.839424
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -8.145
flat angles C4'-P-C4' energy: -3.664
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: 13.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 403
Temperature: 3.583333
Total energy: -9.943391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.943391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.943391 (E_RNA)
where:
Base-Base interactions energy: -7.650
where: short stacking energy: 0.500
Base-Backbone interact. energy: 0.784
local terms energy: -3.077982
where:
bonds (distance) C4'-P energy: -5.645
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: 0.746
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: 22.627
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: 9
=====================================
Write number: 403
Temperature: 3.966667
Total energy: -6.263696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.263696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.263696 (E_RNA)
where:
Base-Base interactions energy: -4.275
where: short stacking energy: -3.877
Base-Backbone interact. energy: 1.363
local terms energy: -3.351958
where:
bonds (distance) C4'-P energy: -9.073
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: 12.580
flat angles P-C4'-P energy: -1.980
tors. eta vs tors. theta energy: 17.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 403
Temperature: 4.350000
Total energy: 0.053798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.053798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.053798 (E_RNA)
where:
Base-Base interactions energy: 0.573
where: short stacking energy: 0.775
Base-Backbone interact. energy: 3.960
local terms energy: -4.479973
where:
bonds (distance) C4'-P energy: 8.978
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -6.359
flat angles P-C4'-P energy: -5.708
tors. eta vs tors. theta energy: 15.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -368.399265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.399265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.399265 (E_RNA)
where:
Base-Base interactions energy: -242.666
where: short stacking energy: -105.852
Base-Backbone interact. energy: -0.589
local terms energy: -125.144014
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -24.787
flat angles C4'-P-C4' energy: -27.604
flat angles P-C4'-P energy: -18.398
tors. eta vs tors. theta energy: -29.272
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: 2
=====================================
Write number: 404
Temperature: 1.283333
Total energy: -132.886162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.886162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.886162 (E_RNA)
where:
Base-Base interactions energy: -67.164
where: short stacking energy: -39.431
Base-Backbone interact. energy: 0.103
local terms energy: -65.825674
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -4.547
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: 404
Temperature: 1.666667
Total energy: -82.641765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.641765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.641765 (E_RNA)
where:
Base-Base interactions energy: -23.859
where: short stacking energy: -22.389
Base-Backbone interact. energy: -0.386
local terms energy: -58.397263
where:
bonds (distance) C4'-P energy: -25.134
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: 3.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 404
Temperature: 2.050000
Total energy: -61.139018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.139018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.139018 (E_RNA)
where:
Base-Base interactions energy: -16.112
where: short stacking energy: -15.145
Base-Backbone interact. energy: -0.497
local terms energy: -44.530328
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: 10.414
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: 404
Temperature: 2.433333
Total energy: -49.433024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.433024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.433024 (E_RNA)
where:
Base-Base interactions energy: -8.560
where: short stacking energy: -5.271
Base-Backbone interact. energy: -0.201
local terms energy: -40.671631
where:
bonds (distance) C4'-P energy: -20.084
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -6.185
flat angles P-C4'-P energy: -1.910
tors. eta vs tors. theta energy: 9.444
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: 404
Temperature: 2.816667
Total energy: -29.805228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.805228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.805228 (E_RNA)
where:
Base-Base interactions energy: -14.492
where: short stacking energy: -9.158
Base-Backbone interact. energy: 1.443
local terms energy: -16.756007
where:
bonds (distance) C4'-P energy: -4.541
bonds (distance) P-C4' energy: -8.776
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: 14.465
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: 3
=====================================
Write number: 404
Temperature: 3.200000
Total energy: -26.951234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.951234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.951234 (E_RNA)
where:
Base-Base interactions energy: -5.016
where: short stacking energy: -4.237
Base-Backbone interact. energy: -0.551
local terms energy: -21.383893
where:
bonds (distance) C4'-P energy: -7.255
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -1.753
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: 13.896
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: 4
=====================================
Write number: 404
Temperature: 3.583333
Total energy: -13.705140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.705140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.705140 (E_RNA)
where:
Base-Base interactions energy: -9.591
where: short stacking energy: -9.084
Base-Backbone interact. energy: -0.768
local terms energy: -3.346024
where:
bonds (distance) C4'-P energy: -8.290
bonds (distance) P-C4' energy: -10.617
flat angles C4'-P-C4' energy: -1.829
flat angles P-C4'-P energy: 4.267
tors. eta vs tors. theta energy: 13.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 404
Temperature: 3.966667
Total energy: -4.787690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.787690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.787690 (E_RNA)
where:
Base-Base interactions energy: -9.142
where: short stacking energy: -4.592
Base-Backbone interact. energy: -1.023
local terms energy: 5.377595
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: 12.310
flat angles P-C4'-P energy: 4.147
tors. eta vs tors. theta energy: 11.614
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: 6
=====================================
Write number: 404
Temperature: 4.350000
Total energy: -2.085759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.085759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.085759 (E_RNA)
where:
Base-Base interactions energy: 4.587
where: short stacking energy: 3.128
Base-Backbone interact. energy: 0.492
local terms energy: -7.165057
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -6.989
flat angles C4'-P-C4' energy: -5.230
flat angles P-C4'-P energy: -2.715
tors. eta vs tors. theta energy: 23.099
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: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -375.044427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.044427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.044427 (E_RNA)
where:
Base-Base interactions energy: -240.423
where: short stacking energy: -108.096
Base-Backbone interact. energy: -0.253
local terms energy: -134.368360
where:
bonds (distance) C4'-P energy: -26.205
bonds (distance) P-C4' energy: -25.215
flat angles C4'-P-C4' energy: -29.286
flat angles P-C4'-P energy: -19.063
tors. eta vs tors. theta energy: -34.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 405
Temperature: 1.283333
Total energy: -152.352392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.352392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.352392 (E_RNA)
where:
Base-Base interactions energy: -57.460
where: short stacking energy: -49.728
Base-Backbone interact. energy: -0.232
local terms energy: -94.660260
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -25.507
flat angles C4'-P-C4' energy: -26.608
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -8.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 405
Temperature: 1.666667
Total energy: -89.809764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.809764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.809764 (E_RNA)
where:
Base-Base interactions energy: -30.603
where: short stacking energy: -16.197
Base-Backbone interact. energy: -0.315
local terms energy: -58.890994
where:
bonds (distance) C4'-P energy: -24.528
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: 10.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 405
Temperature: 2.050000
Total energy: -59.656435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.656435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.656435 (E_RNA)
where:
Base-Base interactions energy: -18.253
where: short stacking energy: -18.205
Base-Backbone interact. energy: -0.605
local terms energy: -40.798433
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -6.191
flat angles P-C4'-P energy: -5.731
tors. eta vs tors. theta energy: 2.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 405
Temperature: 2.433333
Total energy: -44.121539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.121539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.121539 (E_RNA)
where:
Base-Base interactions energy: -4.577
where: short stacking energy: -3.711
Base-Backbone interact. energy: 0.998
local terms energy: -40.542707
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -6.956
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: 17.792
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: 3
=====================================
Write number: 405
Temperature: 2.816667
Total energy: -38.537883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.537883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.537883 (E_RNA)
where:
Base-Base interactions energy: -11.390
where: short stacking energy: -9.196
Base-Backbone interact. energy: -0.393
local terms energy: -26.755024
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -0.359
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: 12.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 405
Temperature: 3.200000
Total energy: -27.527010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.527010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.527010 (E_RNA)
where:
Base-Base interactions energy: -11.528
where: short stacking energy: -9.454
Base-Backbone interact. energy: -0.569
local terms energy: -15.430100
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -7.902
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: 5.547
tors. eta vs tors. theta energy: 14.106
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: 4
=====================================
Write number: 405
Temperature: 3.583333
Total energy: -13.327864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.327864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.327864 (E_RNA)
where:
Base-Base interactions energy: -0.788
where: short stacking energy: -0.450
Base-Backbone interact. energy: 2.299
local terms energy: -14.838828
where:
bonds (distance) C4'-P energy: -5.096
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -5.152
flat angles P-C4'-P energy: -2.007
tors. eta vs tors. theta energy: 18.694
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: 9
=====================================
Write number: 405
Temperature: 3.966667
Total energy: -15.465245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.465245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.465245 (E_RNA)
where:
Base-Base interactions energy: -4.842
where: short stacking energy: -4.881
Base-Backbone interact. energy: 1.270
local terms energy: -11.893225
where:
bonds (distance) C4'-P energy: -6.140
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -1.838
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: 14.461
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: 10, replica: 6
=====================================
Write number: 405
Temperature: 4.350000
Total energy: -11.911037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.911037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.911037 (E_RNA)
where:
Base-Base interactions energy: -0.586
where: short stacking energy: 4.470
Base-Backbone interact. energy: 2.410
local terms energy: -13.735901
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -0.206
flat angles P-C4'-P energy: 2.850
tors. eta vs tors. theta energy: 16.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -370.019596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.019596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.019596 (E_RNA)
where:
Base-Base interactions energy: -246.639
where: short stacking energy: -109.195
Base-Backbone interact. energy: -0.231
local terms energy: -123.149885
where:
bonds (distance) C4'-P energy: -25.346
bonds (distance) P-C4' energy: -25.085
flat angles C4'-P-C4' energy: -25.486
flat angles P-C4'-P energy: -15.241
tors. eta vs tors. theta energy: -31.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 406
Temperature: 1.283333
Total energy: -142.473617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.473617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.473617 (E_RNA)
where:
Base-Base interactions energy: -75.123
where: short stacking energy: -52.392
Base-Backbone interact. energy: -0.180
local terms energy: -67.170398
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: -2.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 406
Temperature: 1.666667
Total energy: -89.151706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.151706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.151706 (E_RNA)
where:
Base-Base interactions energy: -35.837
where: short stacking energy: -26.863
Base-Backbone interact. energy: 2.967
local terms energy: -56.282244
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -23.439
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: 4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 406
Temperature: 2.050000
Total energy: -72.602412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.602412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.602412 (E_RNA)
where:
Base-Base interactions energy: -26.990
where: short stacking energy: -18.132
Base-Backbone interact. energy: 4.642
local terms energy: -50.254483
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: 7.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 406
Temperature: 2.433333
Total energy: -42.170397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.170397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.170397 (E_RNA)
where:
Base-Base interactions energy: -1.721
where: short stacking energy: -1.721
Base-Backbone interact. energy: 1.238
local terms energy: -41.687462
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -19.348
flat angles P-C4'-P energy: 1.010
tors. eta vs tors. theta energy: 10.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 406
Temperature: 2.816667
Total energy: -32.648573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.648573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.648573 (E_RNA)
where:
Base-Base interactions energy: -11.485
where: short stacking energy: -11.872
Base-Backbone interact. energy: -0.739
local terms energy: -20.424349
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -8.361
flat angles P-C4'-P energy: -4.763
tors. eta vs tors. theta energy: 16.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 406
Temperature: 3.200000
Total energy: -22.360723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.360723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.360723 (E_RNA)
where:
Base-Base interactions energy: -8.658
where: short stacking energy: -7.045
Base-Backbone interact. energy: 4.321
local terms energy: -18.024031
where:
bonds (distance) C4'-P energy: -5.332
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -8.923
flat angles P-C4'-P energy: -3.122
tors. eta vs tors. theta energy: 10.447
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: 8, replica: 4
=====================================
Write number: 406
Temperature: 3.583333
Total energy: -17.935009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.935009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.935009 (E_RNA)
where:
Base-Base interactions energy: -1.881
where: short stacking energy: -3.210
Base-Backbone interact. energy: 1.127
local terms energy: -17.180824
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: 7.676
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: 13.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 406
Temperature: 3.966667
Total energy: -7.661399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.661399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.661399 (E_RNA)
where:
Base-Base interactions energy: -10.737
where: short stacking energy: -9.003
Base-Backbone interact. energy: 2.690
local terms energy: 0.385008
where:
bonds (distance) C4'-P energy: -6.833
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -0.395
flat angles P-C4'-P energy: 6.457
tors. eta vs tors. theta energy: 18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 4.350000
Total energy: -2.649965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.649965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.649965 (E_RNA)
where:
Base-Base interactions energy: -6.929
where: short stacking energy: -1.306
Base-Backbone interact. energy: 4.684
local terms energy: -0.404649
where:
bonds (distance) C4'-P energy: -2.483
bonds (distance) P-C4' energy: -5.672
flat angles C4'-P-C4' energy: -2.865
flat angles P-C4'-P energy: -2.994
tors. eta vs tors. theta energy: 13.610
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: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -364.732184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.732184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.732184 (E_RNA)
where:
Base-Base interactions energy: -246.059
where: short stacking energy: -108.349
Base-Backbone interact. energy: -0.065
local terms energy: -118.607804
where:
bonds (distance) C4'-P energy: -24.772
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -25.220
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -30.671
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: 2
=====================================
Write number: 407
Temperature: 1.283333
Total energy: -142.059867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.059867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.059867 (E_RNA)
where:
Base-Base interactions energy: -63.913
where: short stacking energy: -56.491
Base-Backbone interact. energy: -0.264
local terms energy: -77.882749
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -3.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 407
Temperature: 1.666667
Total energy: -106.384261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.384261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.384261 (E_RNA)
where:
Base-Base interactions energy: -35.415
where: short stacking energy: -26.876
Base-Backbone interact. energy: -0.264
local terms energy: -70.705326
where:
bonds (distance) C4'-P energy: -22.090
bonds (distance) P-C4' energy: -22.899
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 407
Temperature: 2.050000
Total energy: -79.101786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.101786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.101786 (E_RNA)
where:
Base-Base interactions energy: -22.669
where: short stacking energy: -20.819
Base-Backbone interact. energy: -0.412
local terms energy: -56.020473
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: 8.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 407
Temperature: 2.433333
Total energy: -45.673151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.673151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.673151 (E_RNA)
where:
Base-Base interactions energy: -7.959
where: short stacking energy: -7.959
Base-Backbone interact. energy: -0.630
local terms energy: -37.084653
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -4.532
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: 12.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 407
Temperature: 2.816667
Total energy: -30.544137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.544137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.544137 (E_RNA)
where:
Base-Base interactions energy: -8.435
where: short stacking energy: -5.946
Base-Backbone interact. energy: -0.367
local terms energy: -21.742579
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -7.664
flat angles C4'-P-C4' energy: 1.621
flat angles P-C4'-P energy: -1.029
tors. eta vs tors. theta energy: 9.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 407
Temperature: 3.200000
Total energy: -21.505599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.505599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.505599 (E_RNA)
where:
Base-Base interactions energy: -10.278
where: short stacking energy: -10.031
Base-Backbone interact. energy: 0.208
local terms energy: -11.435825
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -3.720
flat angles P-C4'-P energy: 6.880
tors. eta vs tors. theta energy: 8.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 407
Temperature: 3.583333
Total energy: -21.473697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.473697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.473697 (E_RNA)
where:
Base-Base interactions energy: -9.931
where: short stacking energy: -6.762
Base-Backbone interact. energy: -0.068
local terms energy: -11.474960
where:
bonds (distance) C4'-P energy: -1.390
bonds (distance) P-C4' energy: -6.333
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -0.497
tors. eta vs tors. theta energy: 13.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 407
Temperature: 3.966667
Total energy: -5.745504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.745504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.745504 (E_RNA)
where:
Base-Base interactions energy: -0.464
where: short stacking energy: 0.940
Base-Backbone interact. energy: -0.517
local terms energy: -4.763797
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -10.335
flat angles C4'-P-C4' energy: 2.404
flat angles P-C4'-P energy: 2.733
tors. eta vs tors. theta energy: 19.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 407
Temperature: 4.350000
Total energy: -2.760151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.760151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.760151 (E_RNA)
where:
Base-Base interactions energy: 3.000
where: short stacking energy: 0.600
Base-Backbone interact. energy: -0.367
local terms energy: -5.393606
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: 1.975
flat angles P-C4'-P energy: 0.372
tors. eta vs tors. theta energy: 18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -371.115013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.115013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.115013 (E_RNA)
where:
Base-Base interactions energy: -244.062
where: short stacking energy: -116.201
Base-Backbone interact. energy: -0.522
local terms energy: -126.530960
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -27.074
flat angles C4'-P-C4' energy: -27.360
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -32.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 1.283333
Total energy: -181.295309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.295309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.295309 (E_RNA)
where:
Base-Base interactions energy: -98.424
where: short stacking energy: -53.695
Base-Backbone interact. energy: -0.490
local terms energy: -82.381621
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -24.469
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -7.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 408
Temperature: 1.666667
Total energy: -99.806883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.806883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.806883 (E_RNA)
where:
Base-Base interactions energy: -36.661
where: short stacking energy: -28.681
Base-Backbone interact. energy: -0.154
local terms energy: -62.991593
where:
bonds (distance) C4'-P energy: -21.983
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -22.634
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: 6.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 408
Temperature: 2.050000
Total energy: -67.935390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.935390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.935390 (E_RNA)
where:
Base-Base interactions energy: -22.323
where: short stacking energy: -13.260
Base-Backbone interact. energy: -0.220
local terms energy: -45.392425
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -19.100
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: 10.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 408
Temperature: 2.433333
Total energy: -46.058300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.058300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.058300 (E_RNA)
where:
Base-Base interactions energy: -15.124
where: short stacking energy: -8.697
Base-Backbone interact. energy: 4.558
local terms energy: -35.492129
where:
bonds (distance) C4'-P energy: -9.024
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -5.549
flat angles P-C4'-P energy: -16.573
tors. eta vs tors. theta energy: 9.662
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: 8
=====================================
Write number: 408
Temperature: 2.816667
Total energy: -38.946176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.946176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.946176 (E_RNA)
where:
Base-Base interactions energy: -7.659
where: short stacking energy: -3.875
Base-Backbone interact. energy: 1.190
local terms energy: -32.477358
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -22.873
flat angles C4'-P-C4' energy: -5.501
flat angles P-C4'-P energy: -1.881
tors. eta vs tors. theta energy: 13.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 408
Temperature: 3.200000
Total energy: -27.896574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.896574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.896574 (E_RNA)
where:
Base-Base interactions energy: -9.249
where: short stacking energy: -4.186
Base-Backbone interact. energy: -0.467
local terms energy: -18.180356
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -4.014
flat angles P-C4'-P energy: -1.053
tors. eta vs tors. theta energy: 11.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 408
Temperature: 3.583333
Total energy: -10.730166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.730166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.730166 (E_RNA)
where:
Base-Base interactions energy: -6.965
where: short stacking energy: 0.017
Base-Backbone interact. energy: 0.912
local terms energy: -4.676540
where:
bonds (distance) C4'-P energy: -1.510
bonds (distance) P-C4' energy: -21.882
flat angles C4'-P-C4' energy: -9.149
flat angles P-C4'-P energy: 7.578
tors. eta vs tors. theta energy: 20.288
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: 9, replica: 9
=====================================
Write number: 408
Temperature: 3.966667
Total energy: -5.247162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.247162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.247162 (E_RNA)
where:
Base-Base interactions energy: -17.623
where: short stacking energy: -14.440
Base-Backbone interact. energy: 3.382
local terms energy: 8.993670
where:
bonds (distance) C4'-P energy: -4.778
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: 15.784
flat angles P-C4'-P energy: -0.314
tors. eta vs tors. theta energy: 12.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 408
Temperature: 4.350000
Total energy: -5.408397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.408397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.408397 (E_RNA)
where:
Base-Base interactions energy: -9.538
where: short stacking energy: -8.039
Base-Backbone interact. energy: -0.479
local terms energy: 4.608680
where:
bonds (distance) C4'-P energy: -7.165
bonds (distance) P-C4' energy: -8.143
flat angles C4'-P-C4' energy: -2.806
flat angles P-C4'-P energy: 6.609
tors. eta vs tors. theta energy: 16.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -373.205983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.205983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.205983 (E_RNA)
where:
Base-Base interactions energy: -242.856
where: short stacking energy: -116.755
Base-Backbone interact. energy: -0.888
local terms energy: -129.462073
where:
bonds (distance) C4'-P energy: -24.003
bonds (distance) P-C4' energy: -27.827
flat angles C4'-P-C4' energy: -24.810
flat angles P-C4'-P energy: -17.387
tors. eta vs tors. theta energy: -35.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 409
Temperature: 1.283333
Total energy: -183.731956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.731956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.731956 (E_RNA)
where:
Base-Base interactions energy: -95.699
where: short stacking energy: -51.610
Base-Backbone interact. energy: -0.830
local terms energy: -87.202973
where:
bonds (distance) C4'-P energy: -20.418
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -20.510
flat angles P-C4'-P energy: -16.433
tors. eta vs tors. theta energy: -6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 409
Temperature: 1.666667
Total energy: -86.008552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.008552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.008552 (E_RNA)
where:
Base-Base interactions energy: -27.013
where: short stacking energy: -27.013
Base-Backbone interact. energy: -0.500
local terms energy: -58.495214
where:
bonds (distance) C4'-P energy: -23.899
bonds (distance) P-C4' energy: -22.754
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: 6.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 409
Temperature: 2.050000
Total energy: -57.573540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.573540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.573540 (E_RNA)
where:
Base-Base interactions energy: -13.719
where: short stacking energy: -9.783
Base-Backbone interact. energy: -0.374
local terms energy: -43.480418
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: 12.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 409
Temperature: 2.433333
Total energy: -48.398148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.398148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.398148 (E_RNA)
where:
Base-Base interactions energy: -9.912
where: short stacking energy: -8.335
Base-Backbone interact. energy: -0.533
local terms energy: -37.953618
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -4.996
flat angles P-C4'-P energy: -5.646
tors. eta vs tors. theta energy: 14.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 409
Temperature: 2.816667
Total energy: -33.976820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.976820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.976820 (E_RNA)
where:
Base-Base interactions energy: -6.382
where: short stacking energy: -3.600
Base-Backbone interact. energy: 3.177
local terms energy: -30.771808
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -19.906
flat angles C4'-P-C4' energy: -5.570
flat angles P-C4'-P energy: -1.356
tors. eta vs tors. theta energy: 16.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 409
Temperature: 3.200000
Total energy: -31.153004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.153004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.153004 (E_RNA)
where:
Base-Base interactions energy: -7.544
where: short stacking energy: -2.367
Base-Backbone interact. energy: -0.230
local terms energy: -23.378634
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -7.979
flat angles P-C4'-P energy: -0.575
tors. eta vs tors. theta energy: 20.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 409
Temperature: 3.583333
Total energy: -12.033691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.033691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.033691 (E_RNA)
where:
Base-Base interactions energy: -5.811
where: short stacking energy: -2.267
Base-Backbone interact. energy: 5.297
local terms energy: -11.519419
where:
bonds (distance) C4'-P energy: -4.793
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: 1.043
flat angles P-C4'-P energy: 7.083
tors. eta vs tors. theta energy: 4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 3.966667
Total energy: -5.896795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.896795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.896795 (E_RNA)
where:
Base-Base interactions energy: -1.965
where: short stacking energy: -0.688
Base-Backbone interact. energy: 2.532
local terms energy: -6.463443
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -19.047
flat angles C4'-P-C4' energy: -7.304
flat angles P-C4'-P energy: 17.956
tors. eta vs tors. theta energy: 14.771
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: 409
Temperature: 4.350000
Total energy: -7.170304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.170304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.170304 (E_RNA)
where:
Base-Base interactions energy: -0.047
where: short stacking energy: -3.232
Base-Backbone interact. energy: 4.472
local terms energy: -11.595613
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -8.943
flat angles C4'-P-C4' energy: -6.958
flat angles P-C4'-P energy: 1.261
tors. eta vs tors. theta energy: 17.314
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: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -368.153955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.153955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.153955 (E_RNA)
where:
Base-Base interactions energy: -246.300
where: short stacking energy: -110.795
Base-Backbone interact. energy: -0.258
local terms energy: -121.596055
where:
bonds (distance) C4'-P energy: -25.119
bonds (distance) P-C4' energy: -25.704
flat angles C4'-P-C4' energy: -27.797
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -28.177
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: 410
Temperature: 1.283333
Total energy: -200.471840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.471840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.471840 (E_RNA)
where:
Base-Base interactions energy: -113.084
where: short stacking energy: -65.270
Base-Backbone interact. energy: -0.119
local terms energy: -87.268381
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -21.771
flat angles P-C4'-P energy: -17.597
tors. eta vs tors. theta energy: -15.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 410
Temperature: 1.666667
Total energy: -95.256636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.256636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.256636 (E_RNA)
where:
Base-Base interactions energy: -30.550
where: short stacking energy: -29.597
Base-Backbone interact. energy: 0.190
local terms energy: -64.897246
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -22.368
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -3.013
tors. eta vs tors. theta energy: -4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 410
Temperature: 2.050000
Total energy: -57.093438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.093438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.093438 (E_RNA)
where:
Base-Base interactions energy: -6.569
where: short stacking energy: -1.831
Base-Backbone interact. energy: -0.091
local terms energy: -50.432627
where:
bonds (distance) C4'-P energy: -5.685
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: 11.942
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: 7
=====================================
Write number: 410
Temperature: 2.433333
Total energy: -43.546543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.546543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.546543 (E_RNA)
where:
Base-Base interactions energy: -10.241
where: short stacking energy: -9.060
Base-Backbone interact. energy: -0.032
local terms energy: -33.274045
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -20.866
flat angles C4'-P-C4' energy: -9.956
flat angles P-C4'-P energy: 4.051
tors. eta vs tors. theta energy: 6.032
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: 4
=====================================
Write number: 410
Temperature: 2.816667
Total energy: -32.116957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.116957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.116957 (E_RNA)
where:
Base-Base interactions energy: -2.345
where: short stacking energy: -1.052
Base-Backbone interact. energy: 3.625
local terms energy: -33.397487
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -2.272
tors. eta vs tors. theta energy: 11.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 410
Temperature: 3.200000
Total energy: -32.919922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.919922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.919922 (E_RNA)
where:
Base-Base interactions energy: -3.530
where: short stacking energy: -1.357
Base-Backbone interact. energy: -1.146
local terms energy: -28.243048
where:
bonds (distance) C4'-P energy: -3.859
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -8.009
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: 6.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 410
Temperature: 3.583333
Total energy: -21.928474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.928474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.928474 (E_RNA)
where:
Base-Base interactions energy: -5.806
where: short stacking energy: -1.715
Base-Backbone interact. energy: 2.217
local terms energy: -18.339588
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -8.527
flat angles P-C4'-P energy: 3.563
tors. eta vs tors. theta energy: 17.267
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: 6
=====================================
Write number: 410
Temperature: 3.966667
Total energy: -6.199072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.199072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.199072 (E_RNA)
where:
Base-Base interactions energy: -3.795
where: short stacking energy: -6.466
Base-Backbone interact. energy: 1.662
local terms energy: -4.066292
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -17.444
flat angles C4'-P-C4' energy: 8.775
flat angles P-C4'-P energy: 2.352
tors. eta vs tors. theta energy: 17.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 410
Temperature: 4.350000
Total energy: -1.882492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.882492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.882492 (E_RNA)
where:
Base-Base interactions energy: -4.072
where: short stacking energy: -2.142
Base-Backbone interact. energy: 2.302
local terms energy: -0.113150
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -6.948
flat angles C4'-P-C4' energy: -6.120
flat angles P-C4'-P energy: 9.755
tors. eta vs tors. theta energy: 16.856
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: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -362.996419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.996419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.996419 (E_RNA)
where:
Base-Base interactions energy: -241.131
where: short stacking energy: -107.042
Base-Backbone interact. energy: 0.978
local terms energy: -122.842551
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -27.882
flat angles C4'-P-C4' energy: -25.307
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: -33.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 411
Temperature: 1.283333
Total energy: -193.089788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.089788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.089788 (E_RNA)
where:
Base-Base interactions energy: -99.879
where: short stacking energy: -55.693
Base-Backbone interact. energy: -0.289
local terms energy: -92.921970
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -27.015
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -9.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 411
Temperature: 1.666667
Total energy: -98.891083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.891083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.891083 (E_RNA)
where:
Base-Base interactions energy: -25.833
where: short stacking energy: -25.833
Base-Backbone interact. energy: -0.066
local terms energy: -72.992386
where:
bonds (distance) C4'-P energy: -24.567
bonds (distance) P-C4' energy: -30.377
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: 8.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 411
Temperature: 2.050000
Total energy: -65.128688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.128688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.128688 (E_RNA)
where:
Base-Base interactions energy: -25.709
where: short stacking energy: -20.964
Base-Backbone interact. energy: -0.900
local terms energy: -38.520579
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: 12.214
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: 7
=====================================
Write number: 411
Temperature: 2.433333
Total energy: -44.931725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.931725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.931725 (E_RNA)
where:
Base-Base interactions energy: -12.052
where: short stacking energy: -5.797
Base-Backbone interact. energy: -0.576
local terms energy: -32.303995
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: 10.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 411
Temperature: 2.816667
Total energy: -34.523663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.523663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.523663 (E_RNA)
where:
Base-Base interactions energy: -12.192
where: short stacking energy: -7.387
Base-Backbone interact. energy: 0.575
local terms energy: -22.907042
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: 5.496
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: 11.634
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: 10
=====================================
Write number: 411
Temperature: 3.200000
Total energy: -20.214886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.214886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.214886 (E_RNA)
where:
Base-Base interactions energy: -9.140
where: short stacking energy: -9.140
Base-Backbone interact. energy: -0.595
local terms energy: -10.479882
where:
bonds (distance) C4'-P energy: -6.247
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -6.682
flat angles P-C4'-P energy: 5.920
tors. eta vs tors. theta energy: 13.319
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: 8
=====================================
Write number: 411
Temperature: 3.583333
Total energy: -15.019249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.019249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.019249 (E_RNA)
where:
Base-Base interactions energy: -6.026
where: short stacking energy: -6.335
Base-Backbone interact. energy: 0.104
local terms energy: -9.097501
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -4.661
flat angles C4'-P-C4' energy: -8.277
flat angles P-C4'-P energy: -2.136
tors. eta vs tors. theta energy: 15.578
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: 9, replica: 6
=====================================
Write number: 411
Temperature: 3.966667
Total energy: -8.431214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.431214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.431214 (E_RNA)
where:
Base-Base interactions energy: -6.398
where: short stacking energy: -2.423
Base-Backbone interact. energy: 3.210
local terms energy: -5.243514
where:
bonds (distance) C4'-P energy: -1.927
bonds (distance) P-C4' energy: -2.399
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -3.118
tors. eta vs tors. theta energy: 15.051
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: 10, replica: 9
=====================================
Write number: 411
Temperature: 4.350000
Total energy: -5.287817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.287817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.287817 (E_RNA)
where:
Base-Base interactions energy: -3.073
where: short stacking energy: -3.073
Base-Backbone interact. energy: 3.518
local terms energy: -5.732181
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -7.914
flat angles C4'-P-C4' energy: -5.410
flat angles P-C4'-P energy: 3.167
tors. eta vs tors. theta energy: 21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -370.205980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.205980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.205980 (E_RNA)
where:
Base-Base interactions energy: -245.506
where: short stacking energy: -106.771
Base-Backbone interact. energy: -0.101
local terms energy: -124.599010
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -27.056
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -18.402
tors. eta vs tors. theta energy: -33.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 412
Temperature: 1.283333
Total energy: -198.740131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.740131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.740131 (E_RNA)
where:
Base-Base interactions energy: -120.996
where: short stacking energy: -60.425
Base-Backbone interact. energy: -0.510
local terms energy: -77.234264
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -22.166
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -4.486
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: 3
=====================================
Write number: 412
Temperature: 1.666667
Total energy: -89.306739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.306739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.306739 (E_RNA)
where:
Base-Base interactions energy: -16.503
where: short stacking energy: -16.503
Base-Backbone interact. energy: -0.391
local terms energy: -72.413074
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -2.639
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: 5
=====================================
Write number: 412
Temperature: 2.050000
Total energy: -64.715780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.715780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.715780 (E_RNA)
where:
Base-Base interactions energy: -30.033
where: short stacking energy: -25.978
Base-Backbone interact. energy: 1.545
local terms energy: -36.227432
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: 4.700
tors. eta vs tors. theta energy: 7.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 412
Temperature: 2.433333
Total energy: -53.015850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.015850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.015850 (E_RNA)
where:
Base-Base interactions energy: -6.886
where: short stacking energy: -6.886
Base-Backbone interact. energy: 0.938
local terms energy: -47.067433
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -22.064
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: 7.091
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: 4
=====================================
Write number: 412
Temperature: 2.816667
Total energy: -39.225950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.225950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.225950 (E_RNA)
where:
Base-Base interactions energy: -10.118
where: short stacking energy: -9.269
Base-Backbone interact. energy: -0.043
local terms energy: -29.065010
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -8.293
flat angles P-C4'-P energy: 2.792
tors. eta vs tors. theta energy: 8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 412
Temperature: 3.200000
Total energy: -26.213346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.213346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.213346 (E_RNA)
where:
Base-Base interactions energy: -7.791
where: short stacking energy: -7.687
Base-Backbone interact. energy: -0.906
local terms energy: -17.515516
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -2.351
flat angles P-C4'-P energy: 0.886
tors. eta vs tors. theta energy: 16.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 412
Temperature: 3.583333
Total energy: -13.990898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.990898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.990898 (E_RNA)
where:
Base-Base interactions energy: -5.640
where: short stacking energy: -4.756
Base-Backbone interact. energy: -0.425
local terms energy: -7.926407
where:
bonds (distance) C4'-P energy: -6.098
bonds (distance) P-C4' energy: -8.779
flat angles C4'-P-C4' energy: -0.344
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: 15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 412
Temperature: 3.966667
Total energy: -3.536711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.536711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.536711 (E_RNA)
where:
Base-Base interactions energy: -4.313
where: short stacking energy: -3.308
Base-Backbone interact. energy: 3.362
local terms energy: -2.585770
where:
bonds (distance) C4'-P energy: 6.054
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -7.147
flat angles P-C4'-P energy: -0.046
tors. eta vs tors. theta energy: 13.572
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: 6
=====================================
Write number: 412
Temperature: 4.350000
Total energy: -17.300722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.300722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.300722 (E_RNA)
where:
Base-Base interactions energy: -2.458
where: short stacking energy: -1.083
Base-Backbone interact. energy: -0.695
local terms energy: -14.148030
where:
bonds (distance) C4'-P energy: -10.577
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -0.505
flat angles P-C4'-P energy: -3.672
tors. eta vs tors. theta energy: 18.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -371.355039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.355039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.355039 (E_RNA)
where:
Base-Base interactions energy: -251.978
where: short stacking energy: -115.700
Base-Backbone interact. energy: -0.113
local terms energy: -119.264963
where:
bonds (distance) C4'-P energy: -24.102
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -24.635
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -32.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 1.283333
Total energy: -192.918399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.918399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.918399 (E_RNA)
where:
Base-Base interactions energy: -99.580
where: short stacking energy: -53.240
Base-Backbone interact. energy: -0.448
local terms energy: -92.889756
where:
bonds (distance) C4'-P energy: -24.230
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -29.991
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -6.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.666667
Total energy: -90.433792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.433792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.433792 (E_RNA)
where:
Base-Base interactions energy: -32.716
where: short stacking energy: -24.108
Base-Backbone interact. energy: -0.295
local terms energy: -57.422677
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -21.282
flat angles P-C4'-P energy: -5.115
tors. eta vs tors. theta energy: 10.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 413
Temperature: 2.050000
Total energy: -63.946081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.946081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.946081 (E_RNA)
where:
Base-Base interactions energy: -20.758
where: short stacking energy: -15.013
Base-Backbone interact. energy: -0.314
local terms energy: -42.874711
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -7.010
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: 10.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 413
Temperature: 2.433333
Total energy: -53.923250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.923250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.923250 (E_RNA)
where:
Base-Base interactions energy: -13.993
where: short stacking energy: -13.993
Base-Backbone interact. energy: 0.252
local terms energy: -40.182268
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -6.183
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: 3.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 413
Temperature: 2.816667
Total energy: -33.318500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.318500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.318500 (E_RNA)
where:
Base-Base interactions energy: -8.672
where: short stacking energy: -2.600
Base-Backbone interact. energy: 0.319
local terms energy: -24.965462
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -4.855
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: 14.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 413
Temperature: 3.200000
Total energy: -21.087643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.087643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.087643 (E_RNA)
where:
Base-Base interactions energy: -14.841
where: short stacking energy: -14.011
Base-Backbone interact. energy: -0.387
local terms energy: -5.860027
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: 1.709
flat angles P-C4'-P energy: 2.353
tors. eta vs tors. theta energy: 16.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 413
Temperature: 3.583333
Total energy: -11.321129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.321129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.321129 (E_RNA)
where:
Base-Base interactions energy: -15.503
where: short stacking energy: -7.833
Base-Backbone interact. energy: 5.257
local terms energy: -1.075438
where:
bonds (distance) C4'-P energy: -7.992
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -6.088
flat angles P-C4'-P energy: 1.383
tors. eta vs tors. theta energy: 20.744
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: 8
=====================================
Write number: 413
Temperature: 3.966667
Total energy: -15.541037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.541037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.541037 (E_RNA)
where:
Base-Base interactions energy: -2.253
where: short stacking energy: -2.704
Base-Backbone interact. energy: 0.363
local terms energy: -13.650939
where:
bonds (distance) C4'-P energy: -3.883
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -10.275
flat angles P-C4'-P energy: 2.083
tors. eta vs tors. theta energy: 14.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 4.350000
Total energy: -1.724259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.724259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.724259 (E_RNA)
where:
Base-Base interactions energy: -2.384
where: short stacking energy: -1.592
Base-Backbone interact. energy: 8.614
local terms energy: -7.954203
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: 1.334
flat angles P-C4'-P energy: 3.191
tors. eta vs tors. theta energy: 16.991
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: 1
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -370.749370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.749370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.749370 (E_RNA)
where:
Base-Base interactions energy: -246.044
where: short stacking energy: -120.933
Base-Backbone interact. energy: -0.110
local terms energy: -124.595209
where:
bonds (distance) C4'-P energy: -27.465
bonds (distance) P-C4' energy: -25.440
flat angles C4'-P-C4' energy: -24.903
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -31.500
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: 2
=====================================
Write number: 414
Temperature: 1.283333
Total energy: -188.041442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.041442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.041442 (E_RNA)
where:
Base-Base interactions energy: -126.408
where: short stacking energy: -64.732
Base-Backbone interact. energy: 2.329
local terms energy: -63.963047
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -18.149
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -4.425
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: 3, replica: 3
=====================================
Write number: 414
Temperature: 1.666667
Total energy: -88.234591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.234591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.234591 (E_RNA)
where:
Base-Base interactions energy: -30.526
where: short stacking energy: -26.340
Base-Backbone interact. energy: 0.286
local terms energy: -57.993964
where:
bonds (distance) C4'-P energy: -7.211
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: 0.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 414
Temperature: 2.050000
Total energy: -68.211936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.211936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.211936 (E_RNA)
where:
Base-Base interactions energy: -21.080
where: short stacking energy: -21.106
Base-Backbone interact. energy: 2.636
local terms energy: -49.768150
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -9.704
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: 6.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 414
Temperature: 2.433333
Total energy: -58.415998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.415998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.415998 (E_RNA)
where:
Base-Base interactions energy: -18.420
where: short stacking energy: -18.420
Base-Backbone interact. energy: -0.031
local terms energy: -39.965784
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -5.313
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: 7.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 414
Temperature: 2.816667
Total energy: -41.322641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.322641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.322641 (E_RNA)
where:
Base-Base interactions energy: -10.514
where: short stacking energy: -10.123
Base-Backbone interact. energy: 2.311
local terms energy: -33.120344
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -10.711
flat angles C4'-P-C4' energy: -5.127
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: 8.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 414
Temperature: 3.200000
Total energy: -34.962033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.962033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.962033 (E_RNA)
where:
Base-Base interactions energy: -7.574
where: short stacking energy: -7.223
Base-Backbone interact. energy: -0.026
local terms energy: -27.362213
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -6.235
flat angles P-C4'-P energy: -0.962
tors. eta vs tors. theta energy: 12.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 414
Temperature: 3.583333
Total energy: -19.329386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.329386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.329386 (E_RNA)
where:
Base-Base interactions energy: -10.093
where: short stacking energy: -8.554
Base-Backbone interact. energy: 2.631
local terms energy: -11.867824
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -6.556
flat angles C4'-P-C4' energy: -8.495
flat angles P-C4'-P energy: -0.664
tors. eta vs tors. theta energy: 15.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 414
Temperature: 3.966667
Total energy: -10.456003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.456003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.456003 (E_RNA)
where:
Base-Base interactions energy: -5.543
where: short stacking energy: 0.000
Base-Backbone interact. energy: 0.433
local terms energy: -5.346271
where:
bonds (distance) C4'-P energy: -9.832
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -1.326
flat angles P-C4'-P energy: 5.920
tors. eta vs tors. theta energy: 12.521
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: 10, replica: 8
=====================================
Write number: 414
Temperature: 4.350000
Total energy: -4.638493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.638493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.638493 (E_RNA)
where:
Base-Base interactions energy: -13.267
where: short stacking energy: -8.060
Base-Backbone interact. energy: 2.249
local terms energy: 6.379226
where:
bonds (distance) C4'-P energy: -6.769
bonds (distance) P-C4' energy: -7.716
flat angles C4'-P-C4' energy: 1.686
flat angles P-C4'-P energy: 1.333
tors. eta vs tors. theta energy: 17.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -360.926509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.926509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.926509 (E_RNA)
where:
Base-Base interactions energy: -237.367
where: short stacking energy: -116.362
Base-Backbone interact. energy: -0.147
local terms energy: -123.413185
where:
bonds (distance) C4'-P energy: -26.424
bonds (distance) P-C4' energy: -24.067
flat angles C4'-P-C4' energy: -23.445
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -34.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 415
Temperature: 1.283333
Total energy: -199.087829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.087829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.087829 (E_RNA)
where:
Base-Base interactions energy: -113.664
where: short stacking energy: -68.277
Base-Backbone interact. energy: -0.260
local terms energy: -85.164501
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -25.109
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: -3.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 415
Temperature: 1.666667
Total energy: -91.966960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.966960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.966960 (E_RNA)
where:
Base-Base interactions energy: -40.004
where: short stacking energy: -35.566
Base-Backbone interact. energy: 1.441
local terms energy: -53.404611
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: 3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 415
Temperature: 2.050000
Total energy: -60.030810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.030810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.030810 (E_RNA)
where:
Base-Base interactions energy: -27.858
where: short stacking energy: -25.751
Base-Backbone interact. energy: -0.114
local terms energy: -32.058991
where:
bonds (distance) C4'-P energy: -3.340
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -4.384
tors. eta vs tors. theta energy: 9.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 2.433333
Total energy: -48.617082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.617082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.617082 (E_RNA)
where:
Base-Base interactions energy: -12.213
where: short stacking energy: -11.563
Base-Backbone interact. energy: -0.173
local terms energy: -36.230320
where:
bonds (distance) C4'-P energy: -5.497
bonds (distance) P-C4' energy: -23.080
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -2.307
tors. eta vs tors. theta energy: 7.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 415
Temperature: 2.816667
Total energy: -29.306580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.306580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.306580 (E_RNA)
where:
Base-Base interactions energy: -10.929
where: short stacking energy: -4.855
Base-Backbone interact. energy: 2.918
local terms energy: -21.295588
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -18.881
flat angles C4'-P-C4' energy: -2.911
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: 22.081
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: 10
=====================================
Write number: 415
Temperature: 3.200000
Total energy: -21.794255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.794255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.794255 (E_RNA)
where:
Base-Base interactions energy: -3.540
where: short stacking energy: -1.256
Base-Backbone interact. energy: 3.304
local terms energy: -21.558908
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -5.772
flat angles P-C4'-P energy: 0.903
tors. eta vs tors. theta energy: 13.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 415
Temperature: 3.583333
Total energy: -22.957375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.957375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.957375 (E_RNA)
where:
Base-Base interactions energy: -5.518
where: short stacking energy: -4.642
Base-Backbone interact. energy: 0.674
local terms energy: -18.113948
where:
bonds (distance) C4'-P energy: -5.005
bonds (distance) P-C4' energy: -8.591
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: 17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 415
Temperature: 3.966667
Total energy: -11.893738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.893738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.893738 (E_RNA)
where:
Base-Base interactions energy: -6.180
where: short stacking energy: -5.078
Base-Backbone interact. energy: 7.167
local terms energy: -12.881376
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -5.904
flat angles P-C4'-P energy: 4.364
tors. eta vs tors. theta energy: 15.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 415
Temperature: 4.350000
Total energy: -4.104084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.104084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.104084 (E_RNA)
where:
Base-Base interactions energy: -4.392
where: short stacking energy: -3.411
Base-Backbone interact. energy: 3.503
local terms energy: -3.214175
where:
bonds (distance) C4'-P energy: -8.335
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -1.019
flat angles P-C4'-P energy: 10.462
tors. eta vs tors. theta energy: 16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -381.146376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.146376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.146376 (E_RNA)
where:
Base-Base interactions energy: -251.033
where: short stacking energy: -120.659
Base-Backbone interact. energy: -0.113
local terms energy: -130.000072
where:
bonds (distance) C4'-P energy: -26.510
bonds (distance) P-C4' energy: -27.306
flat angles C4'-P-C4' energy: -27.060
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -31.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 416
Temperature: 1.283333
Total energy: -202.549371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.549371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.549371 (E_RNA)
where:
Base-Base interactions energy: -122.771
where: short stacking energy: -63.920
Base-Backbone interact. energy: -0.739
local terms energy: -79.039560
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -9.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 416
Temperature: 1.666667
Total energy: -103.905108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.905108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.905108 (E_RNA)
where:
Base-Base interactions energy: -42.375
where: short stacking energy: -42.375
Base-Backbone interact. energy: 1.045
local terms energy: -62.575905
where:
bonds (distance) C4'-P energy: -7.707
bonds (distance) P-C4' energy: -23.699
flat angles C4'-P-C4' energy: -20.554
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -0.528
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: 3
=====================================
Write number: 416
Temperature: 2.050000
Total energy: -71.299631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.299631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.299631 (E_RNA)
where:
Base-Base interactions energy: -19.771
where: short stacking energy: -16.373
Base-Backbone interact. energy: 0.738
local terms energy: -52.266114
where:
bonds (distance) C4'-P energy: -19.756
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: 5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 2.433333
Total energy: -49.574883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.574883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.574883 (E_RNA)
where:
Base-Base interactions energy: -7.645
where: short stacking energy: -7.645
Base-Backbone interact. energy: -0.576
local terms energy: -41.354153
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -4.232
tors. eta vs tors. theta energy: 8.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 416
Temperature: 2.816667
Total energy: -44.575330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.575330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.575330 (E_RNA)
where:
Base-Base interactions energy: -12.323
where: short stacking energy: -11.242
Base-Backbone interact. energy: 3.218
local terms energy: -35.470271
where:
bonds (distance) C4'-P energy: -21.426
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -7.610
flat angles P-C4'-P energy: -4.235
tors. eta vs tors. theta energy: 18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 3.200000
Total energy: -24.417636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.417636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.417636 (E_RNA)
where:
Base-Base interactions energy: -7.455
where: short stacking energy: -4.031
Base-Backbone interact. energy: 2.837
local terms energy: -19.799839
where:
bonds (distance) C4'-P energy: -6.262
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -8.895
flat angles P-C4'-P energy: -2.139
tors. eta vs tors. theta energy: 11.833
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: 6
=====================================
Write number: 416
Temperature: 3.583333
Total energy: -25.299914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.299914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.299914 (E_RNA)
where:
Base-Base interactions energy: -4.193
where: short stacking energy: -3.996
Base-Backbone interact. energy: -0.840
local terms energy: -20.267202
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -8.202
flat angles C4'-P-C4' energy: -3.223
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: 12.551
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: 8
=====================================
Write number: 416
Temperature: 3.966667
Total energy: -16.967112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.967112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.967112 (E_RNA)
where:
Base-Base interactions energy: -9.723
where: short stacking energy: -8.525
Base-Backbone interact. energy: 2.260
local terms energy: -9.504196
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -6.771
flat angles P-C4'-P energy: 2.864
tors. eta vs tors. theta energy: 18.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 416
Temperature: 4.350000
Total energy: -8.003325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.003325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.003325 (E_RNA)
where:
Base-Base interactions energy: -8.794
where: short stacking energy: -8.794
Base-Backbone interact. energy: 3.210
local terms energy: -2.419757
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: 3.034
flat angles P-C4'-P energy: 7.265
tors. eta vs tors. theta energy: 17.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -370.882262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.882262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.882262 (E_RNA)
where:
Base-Base interactions energy: -251.138
where: short stacking energy: -117.694
Base-Backbone interact. energy: -0.386
local terms energy: -119.358940
where:
bonds (distance) C4'-P energy: -26.689
bonds (distance) P-C4' energy: -25.220
flat angles C4'-P-C4' energy: -26.638
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -31.500
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: 2
=====================================
Write number: 417
Temperature: 1.283333
Total energy: -180.374437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.374437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.374437 (E_RNA)
where:
Base-Base interactions energy: -118.621
where: short stacking energy: -42.182
Base-Backbone interact. energy: 10.240
local terms energy: -71.993296
where:
bonds (distance) C4'-P energy: -25.873
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: 2.163
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: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.666667
Total energy: -98.873126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.873126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.873126 (E_RNA)
where:
Base-Base interactions energy: -25.950
where: short stacking energy: -22.900
Base-Backbone interact. energy: -0.745
local terms energy: -72.177672
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 417
Temperature: 2.050000
Total energy: -64.797954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.797954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.797954 (E_RNA)
where:
Base-Base interactions energy: -22.263
where: short stacking energy: -16.727
Base-Backbone interact. energy: -0.026
local terms energy: -42.508512
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: 2.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 2.433333
Total energy: -42.826373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.826373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.826373 (E_RNA)
where:
Base-Base interactions energy: -5.433
where: short stacking energy: -0.940
Base-Backbone interact. energy: 3.289
local terms energy: -40.681534
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -8.403
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: 12.773
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: 417
Temperature: 2.816667
Total energy: -33.810306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.810306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.810306 (E_RNA)
where:
Base-Base interactions energy: -15.142
where: short stacking energy: -15.142
Base-Backbone interact. energy: -0.169
local terms energy: -18.499365
where:
bonds (distance) C4'-P energy: -7.190
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -7.340
flat angles P-C4'-P energy: 2.932
tors. eta vs tors. theta energy: 9.999
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: 7, replica: 10
=====================================
Write number: 417
Temperature: 3.200000
Total energy: -27.128853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.128853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.128853 (E_RNA)
where:
Base-Base interactions energy: -6.076
where: short stacking energy: -6.176
Base-Backbone interact. energy: 0.370
local terms energy: -21.422679
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -1.116
flat angles P-C4'-P energy: 4.592
tors. eta vs tors. theta energy: 13.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 417
Temperature: 3.583333
Total energy: -16.729550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.729550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.729550 (E_RNA)
where:
Base-Base interactions energy: -13.212
where: short stacking energy: -13.212
Base-Backbone interact. energy: 4.035
local terms energy: -7.552025
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: 2.492
flat angles P-C4'-P energy: 1.623
tors. eta vs tors. theta energy: 13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 417
Temperature: 3.966667
Total energy: -14.988930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.988930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.988930 (E_RNA)
where:
Base-Base interactions energy: -3.904
where: short stacking energy: -3.904
Base-Backbone interact. energy: -0.318
local terms energy: -10.766648
where:
bonds (distance) C4'-P energy: -7.742
bonds (distance) P-C4' energy: -10.727
flat angles C4'-P-C4' energy: -1.628
flat angles P-C4'-P energy: -2.851
tors. eta vs tors. theta energy: 12.181
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: 4
=====================================
Write number: 417
Temperature: 4.350000
Total energy: -3.338102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.338102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.338102 (E_RNA)
where:
Base-Base interactions energy: -5.783
where: short stacking energy: -3.818
Base-Backbone interact. energy: 6.525
local terms energy: -4.080409
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: 2.314
flat angles C4'-P-C4' energy: -1.917
flat angles P-C4'-P energy: 2.575
tors. eta vs tors. theta energy: 11.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -365.437891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.437891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.437891 (E_RNA)
where:
Base-Base interactions energy: -245.638
where: short stacking energy: -114.827
Base-Backbone interact. energy: -1.172
local terms energy: -118.628493
where:
bonds (distance) C4'-P energy: -24.778
bonds (distance) P-C4' energy: -23.361
flat angles C4'-P-C4' energy: -25.009
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -33.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 418
Temperature: 1.283333
Total energy: -198.451203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.451203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.451203 (E_RNA)
where:
Base-Base interactions energy: -115.513
where: short stacking energy: -71.729
Base-Backbone interact. energy: 0.260
local terms energy: -83.198119
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -23.423
flat angles C4'-P-C4' energy: -20.973
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -12.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 418
Temperature: 1.666667
Total energy: -86.039450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.039450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.039450 (E_RNA)
where:
Base-Base interactions energy: -35.920
where: short stacking energy: -16.952
Base-Backbone interact. energy: 0.728
local terms energy: -50.847297
where:
bonds (distance) C4'-P energy: -22.932
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: 6.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 418
Temperature: 2.050000
Total energy: -63.891020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.891020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.891020 (E_RNA)
where:
Base-Base interactions energy: -10.794
where: short stacking energy: -8.670
Base-Backbone interact. energy: 1.032
local terms energy: -54.128712
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: 7.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 418
Temperature: 2.433333
Total energy: -51.253301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.253301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.253301 (E_RNA)
where:
Base-Base interactions energy: -9.702
where: short stacking energy: -7.261
Base-Backbone interact. energy: -0.662
local terms energy: -40.889226
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -4.566
tors. eta vs tors. theta energy: 10.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 418
Temperature: 2.816667
Total energy: -31.407610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.407610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.407610 (E_RNA)
where:
Base-Base interactions energy: -12.838
where: short stacking energy: -12.317
Base-Backbone interact. energy: -0.407
local terms energy: -18.162065
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: 5.241
tors. eta vs tors. theta energy: 12.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 418
Temperature: 3.200000
Total energy: -34.298433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.298433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.298433 (E_RNA)
where:
Base-Base interactions energy: -15.416
where: short stacking energy: -6.525
Base-Backbone interact. energy: 0.274
local terms energy: -19.156237
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -5.959
flat angles C4'-P-C4' energy: -7.169
flat angles P-C4'-P energy: 0.225
tors. eta vs tors. theta energy: 12.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 418
Temperature: 3.583333
Total energy: -10.311341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.311341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.311341 (E_RNA)
where:
Base-Base interactions energy: 3.493
where: short stacking energy: 3.493
Base-Backbone interact. energy: -0.604
local terms energy: -13.200790
where:
bonds (distance) C4'-P energy: -5.988
bonds (distance) P-C4' energy: -19.397
flat angles C4'-P-C4' energy: 3.412
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: 17.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 418
Temperature: 3.966667
Total energy: -4.887594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.887594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.887594 (E_RNA)
where:
Base-Base interactions energy: -5.797
where: short stacking energy: -4.758
Base-Backbone interact. energy: 4.339
local terms energy: -3.429606
where:
bonds (distance) C4'-P energy: -5.911
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: 5.152
flat angles P-C4'-P energy: -3.636
tors. eta vs tors. theta energy: 14.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 418
Temperature: 4.350000
Total energy: -1.167737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.167737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.167737 (E_RNA)
where:
Base-Base interactions energy: -5.998
where: short stacking energy: -5.446
Base-Backbone interact. energy: 5.507
local terms energy: -0.675975
where:
bonds (distance) C4'-P energy: -3.878
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -3.784
flat angles P-C4'-P energy: 2.534
tors. eta vs tors. theta energy: 16.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -370.196316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.196316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.196316 (E_RNA)
where:
Base-Base interactions energy: -244.740
where: short stacking energy: -118.384
Base-Backbone interact. energy: -2.845
local terms energy: -122.611860
where:
bonds (distance) C4'-P energy: -27.286
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -24.119
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -33.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 419
Temperature: 1.283333
Total energy: -214.766071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.766071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.766071 (E_RNA)
where:
Base-Base interactions energy: -122.768
where: short stacking energy: -70.948
Base-Backbone interact. energy: -0.532
local terms energy: -91.466631
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -19.447
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -21.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 419
Temperature: 1.666667
Total energy: -84.310969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.310969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.310969 (E_RNA)
where:
Base-Base interactions energy: -37.669
where: short stacking energy: -36.082
Base-Backbone interact. energy: 0.160
local terms energy: -46.802238
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -4.712
tors. eta vs tors. theta energy: 1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 419
Temperature: 2.050000
Total energy: -67.539815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.539815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.539815 (E_RNA)
where:
Base-Base interactions energy: -23.943
where: short stacking energy: -19.490
Base-Backbone interact. energy: 1.782
local terms energy: -45.378325
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -1.209
tors. eta vs tors. theta energy: 5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 419
Temperature: 2.433333
Total energy: -43.620840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.620840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.620840 (E_RNA)
where:
Base-Base interactions energy: -3.617
where: short stacking energy: -3.617
Base-Backbone interact. energy: 1.046
local terms energy: -41.049957
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -2.868
tors. eta vs tors. theta energy: 7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 419
Temperature: 2.816667
Total energy: -29.060188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.060188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.060188 (E_RNA)
where:
Base-Base interactions energy: -7.550
where: short stacking energy: -5.344
Base-Backbone interact. energy: 1.120
local terms energy: -22.630089
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: 1.819
tors. eta vs tors. theta energy: 14.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 419
Temperature: 3.200000
Total energy: -20.107991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.107991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.107991 (E_RNA)
where:
Base-Base interactions energy: -4.249
where: short stacking energy: -4.249
Base-Backbone interact. energy: 3.248
local terms energy: -19.106731
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -7.756
flat angles C4'-P-C4' energy: -2.345
flat angles P-C4'-P energy: -4.746
tors. eta vs tors. theta energy: 8.315
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: 4
=====================================
Write number: 419
Temperature: 3.583333
Total energy: -22.157310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.157310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.157310 (E_RNA)
where:
Base-Base interactions energy: -0.217
where: short stacking energy: 0.833
Base-Backbone interact. energy: -0.357
local terms energy: -21.583850
where:
bonds (distance) C4'-P energy: -10.747
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: 5.327
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: 20.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 419
Temperature: 3.966667
Total energy: -15.044318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.044318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.044318 (E_RNA)
where:
Base-Base interactions energy: 0.600
where: short stacking energy: 2.144
Base-Backbone interact. energy: 0.234
local terms energy: -15.878810
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -7.089
flat angles P-C4'-P energy: 10.445
tors. eta vs tors. theta energy: 14.749
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: 6
=====================================
Write number: 419
Temperature: 4.350000
Total energy: 4.584408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 4.584408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 4.584408 (E_RNA)
where:
Base-Base interactions energy: -5.331
where: short stacking energy: -5.076
Base-Backbone interact. energy: 7.201
local terms energy: 2.714006
where:
bonds (distance) C4'-P energy: -7.930
bonds (distance) P-C4' energy: -11.484
flat angles C4'-P-C4' energy: -0.585
flat angles P-C4'-P energy: 5.730
tors. eta vs tors. theta energy: 16.983
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: 420
Temperature: 0.900000
Total energy: -374.845253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.845253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.845253 (E_RNA)
where:
Base-Base interactions energy: -244.066
where: short stacking energy: -117.911
Base-Backbone interact. energy: -0.020
local terms energy: -130.759382
where:
bonds (distance) C4'-P energy: -25.435
bonds (distance) P-C4' energy: -26.250
flat angles C4'-P-C4' energy: -27.510
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -32.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 420
Temperature: 1.283333
Total energy: -216.381626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.381626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.381626 (E_RNA)
where:
Base-Base interactions energy: -127.399
where: short stacking energy: -75.951
Base-Backbone interact. energy: -0.206
local terms energy: -88.776436
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -22.955
flat angles P-C4'-P energy: -18.377
tors. eta vs tors. theta energy: -6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.666667
Total energy: -103.294484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.294484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.294484 (E_RNA)
where:
Base-Base interactions energy: -34.660
where: short stacking energy: -33.417
Base-Backbone interact. energy: -0.484
local terms energy: -68.150331
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -22.218
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: 1.222
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: 5
=====================================
Write number: 420
Temperature: 2.050000
Total energy: -60.728506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.728506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.728506 (E_RNA)
where:
Base-Base interactions energy: -38.441
where: short stacking energy: -21.141
Base-Backbone interact. energy: 0.073
local terms energy: -22.361227
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -4.234
flat angles P-C4'-P energy: 2.889
tors. eta vs tors. theta energy: 10.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 420
Temperature: 2.433333
Total energy: -48.524639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.524639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.524639 (E_RNA)
where:
Base-Base interactions energy: -12.388
where: short stacking energy: -8.997
Base-Backbone interact. energy: -0.148
local terms energy: -35.988707
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -20.482
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: 1.585
tors. eta vs tors. theta energy: 10.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 420
Temperature: 2.816667
Total energy: -46.184864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.184864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.184864 (E_RNA)
where:
Base-Base interactions energy: -18.417
where: short stacking energy: -13.099
Base-Backbone interact. energy: -0.642
local terms energy: -27.125360
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: 18.096
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: 4
=====================================
Write number: 420
Temperature: 3.200000
Total energy: -23.492565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.492565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.492565 (E_RNA)
where:
Base-Base interactions energy: -7.202
where: short stacking energy: -7.202
Base-Backbone interact. energy: 0.665
local terms energy: -16.955665
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: 2.175
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: 16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 420
Temperature: 3.583333
Total energy: -13.648603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.648603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.648603 (E_RNA)
where:
Base-Base interactions energy: -7.546
where: short stacking energy: -4.859
Base-Backbone interact. energy: -1.433
local terms energy: -4.669860
where:
bonds (distance) C4'-P energy: -10.183
bonds (distance) P-C4' energy: -6.233
flat angles C4'-P-C4' energy: -4.702
flat angles P-C4'-P energy: -0.842
tors. eta vs tors. theta energy: 17.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 420
Temperature: 3.966667
Total energy: -15.947540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.947540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.947540 (E_RNA)
where:
Base-Base interactions energy: 0.931
where: short stacking energy: -1.991
Base-Backbone interact. energy: -0.084
local terms energy: -16.794917
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -8.551
flat angles P-C4'-P energy: 4.266
tors. eta vs tors. theta energy: 8.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 420
Temperature: 4.350000
Total energy: -5.873913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.873913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.873913 (E_RNA)
where:
Base-Base interactions energy: -11.807
where: short stacking energy: -7.533
Base-Backbone interact. energy: 2.449
local terms energy: 3.483654
where:
bonds (distance) C4'-P energy: -8.491
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: 9.633
flat angles P-C4'-P energy: 7.464
tors. eta vs tors. theta energy: 16.215
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: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -376.615628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.615628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.615628 (E_RNA)
where:
Base-Base interactions energy: -249.465
where: short stacking energy: -118.042
Base-Backbone interact. energy: -0.083
local terms energy: -127.067774
where:
bonds (distance) C4'-P energy: -24.574
bonds (distance) P-C4' energy: -26.923
flat angles C4'-P-C4' energy: -29.232
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -28.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 421
Temperature: 1.283333
Total energy: -236.296148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.296148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.296148 (E_RNA)
where:
Base-Base interactions energy: -149.514
where: short stacking energy: -60.666
Base-Backbone interact. energy: -0.607
local terms energy: -86.175142
where:
bonds (distance) C4'-P energy: -25.175
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -23.084
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 421
Temperature: 1.666667
Total energy: -93.303893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.303893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.303893 (E_RNA)
where:
Base-Base interactions energy: -36.393
where: short stacking energy: -35.203
Base-Backbone interact. energy: 0.905
local terms energy: -57.816062
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: 4.266
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: 421
Temperature: 2.050000
Total energy: -59.175845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.175845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.175845 (E_RNA)
where:
Base-Base interactions energy: -11.367
where: short stacking energy: -9.917
Base-Backbone interact. energy: 3.380
local terms energy: -51.189022
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -25.595
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -10.107
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: 5, replica: 5
=====================================
Write number: 421
Temperature: 2.433333
Total energy: -52.485133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.485133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.485133 (E_RNA)
where:
Base-Base interactions energy: -14.719
where: short stacking energy: -14.263
Base-Backbone interact. energy: 1.387
local terms energy: -39.152767
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -1.953
tors. eta vs tors. theta energy: 5.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 421
Temperature: 2.816667
Total energy: -35.885084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.885084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.885084 (E_RNA)
where:
Base-Base interactions energy: -7.668
where: short stacking energy: -8.765
Base-Backbone interact. energy: 2.935
local terms energy: -31.152243
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -5.631
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: 12.479
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: 7, replica: 3
=====================================
Write number: 421
Temperature: 3.200000
Total energy: -26.827673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.827673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.827673 (E_RNA)
where:
Base-Base interactions energy: -2.744
where: short stacking energy: -1.150
Base-Backbone interact. energy: -0.612
local terms energy: -23.471748
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: 0.611
flat angles P-C4'-P energy: 1.324
tors. eta vs tors. theta energy: 9.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 421
Temperature: 3.583333
Total energy: -15.760851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.760851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.760851 (E_RNA)
where:
Base-Base interactions energy: -1.207
where: short stacking energy: 0.000
Base-Backbone interact. energy: 1.621
local terms energy: -16.175522
where:
bonds (distance) C4'-P energy: -8.253
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -0.710
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: 18.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 421
Temperature: 3.966667
Total energy: -10.659291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.659291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.659291 (E_RNA)
where:
Base-Base interactions energy: -4.672
where: short stacking energy: -4.961
Base-Backbone interact. energy: 3.198
local terms energy: -9.185757
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -9.753
flat angles C4'-P-C4' energy: 2.311
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: 17.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 421
Temperature: 4.350000
Total energy: -5.926260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.926260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.926260 (E_RNA)
where:
Base-Base interactions energy: -11.383
where: short stacking energy: -1.988
Base-Backbone interact. energy: -0.056
local terms energy: 5.512534
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -6.992
flat angles C4'-P-C4' energy: -4.896
flat angles P-C4'-P energy: 6.188
tors. eta vs tors. theta energy: 21.925
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: 422
Temperature: 0.900000
Total energy: -362.328877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.328877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.328877 (E_RNA)
where:
Base-Base interactions energy: -241.233
where: short stacking energy: -115.211
Base-Backbone interact. energy: -0.016
local terms energy: -121.079966
where:
bonds (distance) C4'-P energy: -23.974
bonds (distance) P-C4' energy: -26.829
flat angles C4'-P-C4' energy: -25.275
flat angles P-C4'-P energy: -16.679
tors. eta vs tors. theta energy: -28.323
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: 2, replica: 2
=====================================
Write number: 422
Temperature: 1.283333
Total energy: -225.487573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.487573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.487573 (E_RNA)
where:
Base-Base interactions energy: -142.204
where: short stacking energy: -63.746
Base-Backbone interact. energy: -0.856
local terms energy: -82.427796
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -24.612
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -8.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.666667
Total energy: -82.509001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.509001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.509001 (E_RNA)
where:
Base-Base interactions energy: -35.342
where: short stacking energy: -19.762
Base-Backbone interact. energy: 4.019
local terms energy: -51.186015
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -21.124
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: 9.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 422
Temperature: 2.050000
Total energy: -72.346836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.346836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.346836 (E_RNA)
where:
Base-Base interactions energy: -15.322
where: short stacking energy: -11.593
Base-Backbone interact. energy: -1.585
local terms energy: -55.439534
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -20.920
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: 12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 422
Temperature: 2.433333
Total energy: -50.939584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.939584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.939584 (E_RNA)
where:
Base-Base interactions energy: -15.878
where: short stacking energy: -11.699
Base-Backbone interact. energy: 2.034
local terms energy: -37.096406
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -21.371
flat angles C4'-P-C4' energy: -2.892
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: 6.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 422
Temperature: 2.816667
Total energy: -29.085295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.085295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.085295 (E_RNA)
where:
Base-Base interactions energy: -6.396
where: short stacking energy: -7.396
Base-Backbone interact. energy: 0.646
local terms energy: -23.334793
where:
bonds (distance) C4'-P energy: -8.213
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -9.058
flat angles P-C4'-P energy: -4.138
tors. eta vs tors. theta energy: 14.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 422
Temperature: 3.200000
Total energy: -23.894024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.894024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.894024 (E_RNA)
where:
Base-Base interactions energy: -6.414
where: short stacking energy: -4.503
Base-Backbone interact. energy: -1.717
local terms energy: -15.763292
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -8.284
flat angles C4'-P-C4' energy: -0.114
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: 17.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 422
Temperature: 3.583333
Total energy: -15.556932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.556932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.556932 (E_RNA)
where:
Base-Base interactions energy: -2.110
where: short stacking energy: 0.057
Base-Backbone interact. energy: -0.399
local terms energy: -13.048022
where:
bonds (distance) C4'-P energy: -2.503
bonds (distance) P-C4' energy: -10.252
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -2.699
tors. eta vs tors. theta energy: 13.432
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: 10
=====================================
Write number: 422
Temperature: 3.966667
Total energy: -16.173244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.173244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.173244 (E_RNA)
where:
Base-Base interactions energy: -3.135
where: short stacking energy: -3.135
Base-Backbone interact. energy: 4.315
local terms energy: -17.353259
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -5.714
flat angles P-C4'-P energy: -6.270
tors. eta vs tors. theta energy: 17.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 4.350000
Total energy: -12.869269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.869269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.869269 (E_RNA)
where:
Base-Base interactions energy: -5.375
where: short stacking energy: -7.134
Base-Backbone interact. energy: 0.608
local terms energy: -8.101839
where:
bonds (distance) C4'-P energy: -5.069
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -3.557
flat angles P-C4'-P energy: -0.682
tors. eta vs tors. theta energy: 14.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -368.051959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.051959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.051959 (E_RNA)
where:
Base-Base interactions energy: -247.009
where: short stacking energy: -109.583
Base-Backbone interact. energy: -0.060
local terms energy: -120.983530
where:
bonds (distance) C4'-P energy: -26.305
bonds (distance) P-C4' energy: -25.134
flat angles C4'-P-C4' energy: -26.037
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: -26.815
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: 2, replica: 2
=====================================
Write number: 423
Temperature: 1.283333
Total energy: -220.447914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.447914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.447914 (E_RNA)
where:
Base-Base interactions energy: -130.486
where: short stacking energy: -63.757
Base-Backbone interact. energy: 0.556
local terms energy: -90.518632
where:
bonds (distance) C4'-P energy: -23.520
bonds (distance) P-C4' energy: -25.071
flat angles C4'-P-C4' energy: -23.143
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -11.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.666667
Total energy: -92.522765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.522765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.522765 (E_RNA)
where:
Base-Base interactions energy: -32.234
where: short stacking energy: -23.899
Base-Backbone interact. energy: 2.979
local terms energy: -63.267368
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -27.168
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: 11.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 423
Temperature: 2.050000
Total energy: -59.824972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.824972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.824972 (E_RNA)
where:
Base-Base interactions energy: -10.998
where: short stacking energy: -7.991
Base-Backbone interact. energy: 1.395
local terms energy: -50.221829
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: 1.043
tors. eta vs tors. theta energy: 5.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 423
Temperature: 2.433333
Total energy: -39.916217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.916217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.916217 (E_RNA)
where:
Base-Base interactions energy: -10.109
where: short stacking energy: -8.410
Base-Backbone interact. energy: -0.086
local terms energy: -29.721367
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -24.062
flat angles C4'-P-C4' energy: -5.674
flat angles P-C4'-P energy: 1.952
tors. eta vs tors. theta energy: 14.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 423
Temperature: 2.816667
Total energy: -35.162763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.162763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.162763 (E_RNA)
where:
Base-Base interactions energy: -7.559
where: short stacking energy: -4.140
Base-Backbone interact. energy: 3.892
local terms energy: -31.495901
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: 0.427
tors. eta vs tors. theta energy: 8.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 423
Temperature: 3.200000
Total energy: -22.972558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.972558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.972558 (E_RNA)
where:
Base-Base interactions energy: -4.037
where: short stacking energy: -2.035
Base-Backbone interact. energy: 2.923
local terms energy: -21.858725
where:
bonds (distance) C4'-P energy: -8.098
bonds (distance) P-C4' energy: -21.571
flat angles C4'-P-C4' energy: -7.112
flat angles P-C4'-P energy: -1.198
tors. eta vs tors. theta energy: 16.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 423
Temperature: 3.583333
Total energy: -23.564493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.564493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.564493 (E_RNA)
where:
Base-Base interactions energy: -13.602
where: short stacking energy: -12.198
Base-Backbone interact. energy: -1.387
local terms energy: -8.575426
where:
bonds (distance) C4'-P energy: -9.162
bonds (distance) P-C4' energy: -10.869
flat angles C4'-P-C4' energy: -1.470
flat angles P-C4'-P energy: 0.121
tors. eta vs tors. theta energy: 12.804
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: 9, replica: 3
=====================================
Write number: 423
Temperature: 3.966667
Total energy: -8.334545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.334545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.334545 (E_RNA)
where:
Base-Base interactions energy: -3.085
where: short stacking energy: -1.843
Base-Backbone interact. energy: 1.784
local terms energy: -7.033918
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: 7.162
flat angles P-C4'-P energy: 1.888
tors. eta vs tors. theta energy: 9.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 423
Temperature: 4.350000
Total energy: -1.819247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.819247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.819247 (E_RNA)
where:
Base-Base interactions energy: -2.179
where: short stacking energy: -2.179
Base-Backbone interact. energy: 0.418
local terms energy: -0.058357
where:
bonds (distance) C4'-P energy: -6.447
bonds (distance) P-C4' energy: -8.863
flat angles C4'-P-C4' energy: 7.428
flat angles P-C4'-P energy: -3.217
tors. eta vs tors. theta energy: 11.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -365.560151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.560151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.560151 (E_RNA)
where:
Base-Base interactions energy: -252.009
where: short stacking energy: -112.234
Base-Backbone interact. energy: -0.316
local terms energy: -113.235255
where:
bonds (distance) C4'-P energy: -24.587
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -26.560
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -28.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 424
Temperature: 1.283333
Total energy: -201.151447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.151447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.151447 (E_RNA)
where:
Base-Base interactions energy: -108.014
where: short stacking energy: -50.150
Base-Backbone interact. energy: -0.293
local terms energy: -92.845327
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -25.424
flat angles C4'-P-C4' energy: -24.158
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -8.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 424
Temperature: 1.666667
Total energy: -91.743705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.743705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.743705 (E_RNA)
where:
Base-Base interactions energy: -38.066
where: short stacking energy: -20.831
Base-Backbone interact. energy: -0.187
local terms energy: -53.490338
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: 5.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 424
Temperature: 2.050000
Total energy: -60.629589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.629589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.629589 (E_RNA)
where:
Base-Base interactions energy: -20.651
where: short stacking energy: -14.111
Base-Backbone interact. energy: 1.237
local terms energy: -41.216032
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -4.986
tors. eta vs tors. theta energy: 14.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 424
Temperature: 2.433333
Total energy: -55.342647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.342647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.342647 (E_RNA)
where:
Base-Base interactions energy: -6.001
where: short stacking energy: -3.675
Base-Backbone interact. energy: -0.464
local terms energy: -48.877867
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: 11.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 424
Temperature: 2.816667
Total energy: -31.888697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.888697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.888697 (E_RNA)
where:
Base-Base interactions energy: -13.328
where: short stacking energy: -9.621
Base-Backbone interact. energy: 2.295
local terms energy: -20.855710
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: 7.058
tors. eta vs tors. theta energy: 14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 424
Temperature: 3.200000
Total energy: -32.294810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.294810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.294810 (E_RNA)
where:
Base-Base interactions energy: -3.340
where: short stacking energy: -3.016
Base-Backbone interact. energy: 0.240
local terms energy: -29.194029
where:
bonds (distance) C4'-P energy: -4.599
bonds (distance) P-C4' energy: -21.155
flat angles C4'-P-C4' energy: -6.454
flat angles P-C4'-P energy: -2.256
tors. eta vs tors. theta energy: 5.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 424
Temperature: 3.583333
Total energy: -15.356446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.356446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.356446 (E_RNA)
where:
Base-Base interactions energy: -5.051
where: short stacking energy: -4.920
Base-Backbone interact. energy: 1.975
local terms energy: -12.280642
where:
bonds (distance) C4'-P energy: -7.540
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: 2.296
tors. eta vs tors. theta energy: 15.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 424
Temperature: 3.966667
Total energy: -12.403164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.403164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.403164 (E_RNA)
where:
Base-Base interactions energy: -11.267
where: short stacking energy: -7.627
Base-Backbone interact. energy: 2.879
local terms energy: -4.014785
where:
bonds (distance) C4'-P energy: -2.966
bonds (distance) P-C4' energy: -5.954
flat angles C4'-P-C4' energy: -9.497
flat angles P-C4'-P energy: 7.768
tors. eta vs tors. theta energy: 6.634
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: 3
=====================================
Write number: 424
Temperature: 4.350000
Total energy: -6.306215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.306215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.306215 (E_RNA)
where:
Base-Base interactions energy: -4.983
where: short stacking energy: -5.514
Base-Backbone interact. energy: 0.931
local terms energy: -2.254456
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: 8.316
flat angles P-C4'-P energy: 5.880
tors. eta vs tors. theta energy: 19.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -359.853340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.853340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.853340 (E_RNA)
where:
Base-Base interactions energy: -237.804
where: short stacking energy: -107.518
Base-Backbone interact. energy: -0.364
local terms energy: -121.685274
where:
bonds (distance) C4'-P energy: -22.749
bonds (distance) P-C4' energy: -27.114
flat angles C4'-P-C4' energy: -21.959
flat angles P-C4'-P energy: -19.547
tors. eta vs tors. theta energy: -30.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 425
Temperature: 1.283333
Total energy: -188.306585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.306585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.306585 (E_RNA)
where:
Base-Base interactions energy: -114.914
where: short stacking energy: -49.299
Base-Backbone interact. energy: -0.200
local terms energy: -73.192506
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -24.466
flat angles C4'-P-C4' energy: -19.698
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -9.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 425
Temperature: 1.666667
Total energy: -86.895919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.895919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.895919 (E_RNA)
where:
Base-Base interactions energy: -33.933
where: short stacking energy: -30.276
Base-Backbone interact. energy: -0.184
local terms energy: -52.778214
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -20.671
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: 2.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 425
Temperature: 2.050000
Total energy: -66.732214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.732214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.732214 (E_RNA)
where:
Base-Base interactions energy: -20.243
where: short stacking energy: -15.809
Base-Backbone interact. energy: -0.483
local terms energy: -46.006670
where:
bonds (distance) C4'-P energy: -21.314
bonds (distance) P-C4' energy: -20.733
flat angles C4'-P-C4' energy: -5.580
flat angles P-C4'-P energy: 0.129
tors. eta vs tors. theta energy: 1.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 425
Temperature: 2.433333
Total energy: -59.010042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.010042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.010042 (E_RNA)
where:
Base-Base interactions energy: -14.103
where: short stacking energy: -11.918
Base-Backbone interact. energy: -0.623
local terms energy: -44.284192
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -8.326
flat angles P-C4'-P energy: -15.745
tors. eta vs tors. theta energy: 12.477
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: 6, replica: 9
=====================================
Write number: 425
Temperature: 2.816667
Total energy: -43.990849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.990849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.990849 (E_RNA)
where:
Base-Base interactions energy: -10.748
where: short stacking energy: -12.348
Base-Backbone interact. energy: 0.477
local terms energy: -33.720319
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: 2.665
tors. eta vs tors. theta energy: 16.255
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: 4
=====================================
Write number: 425
Temperature: 3.200000
Total energy: -23.281026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.281026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.281026 (E_RNA)
where:
Base-Base interactions energy: -0.660
where: short stacking energy: -0.660
Base-Backbone interact. energy: -1.007
local terms energy: -21.613386
where:
bonds (distance) C4'-P energy: -23.198
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -6.735
flat angles P-C4'-P energy: -3.098
tors. eta vs tors. theta energy: 18.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 425
Temperature: 3.583333
Total energy: -16.738884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.738884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.738884 (E_RNA)
where:
Base-Base interactions energy: -7.953
where: short stacking energy: -6.808
Base-Backbone interact. energy: -1.099
local terms energy: -7.686671
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: 0.634
flat angles P-C4'-P energy: 6.633
tors. eta vs tors. theta energy: 12.221
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: 10
=====================================
Write number: 425
Temperature: 3.966667
Total energy: -8.708745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.708745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.708745 (E_RNA)
where:
Base-Base interactions energy: -3.425
where: short stacking energy: -1.674
Base-Backbone interact. energy: -1.509
local terms energy: -3.774644
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -0.028
flat angles P-C4'-P energy: 3.701
tors. eta vs tors. theta energy: 17.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 425
Temperature: 4.350000
Total energy: -5.089864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.089864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.089864 (E_RNA)
where:
Base-Base interactions energy: -5.690
where: short stacking energy: -5.520
Base-Backbone interact. energy: -0.580
local terms energy: 1.180400
where:
bonds (distance) C4'-P energy: -6.096
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: 2.348
flat angles P-C4'-P energy: 4.616
tors. eta vs tors. theta energy: 11.006
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: 426
Temperature: 0.900000
Total energy: -365.152484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.152484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.152484 (E_RNA)
where:
Base-Base interactions energy: -246.173
where: short stacking energy: -117.420
Base-Backbone interact. energy: -0.364
local terms energy: -118.616039
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -27.839
flat angles C4'-P-C4' energy: -23.890
flat angles P-C4'-P energy: -13.548
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: 2, replica: 2
=====================================
Write number: 426
Temperature: 1.283333
Total energy: -184.399935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.399935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.399935 (E_RNA)
where:
Base-Base interactions energy: -112.632
where: short stacking energy: -55.599
Base-Backbone interact. energy: 2.120
local terms energy: -73.887759
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -6.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 426
Temperature: 1.666667
Total energy: -78.946090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.946090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.946090 (E_RNA)
where:
Base-Base interactions energy: -21.004
where: short stacking energy: -14.042
Base-Backbone interact. energy: -0.455
local terms energy: -57.487212
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: 6.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 426
Temperature: 2.050000
Total energy: -73.765338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.765338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.765338 (E_RNA)
where:
Base-Base interactions energy: -10.581
where: short stacking energy: -10.581
Base-Backbone interact. energy: 4.890
local terms energy: -68.074881
where:
bonds (distance) C4'-P energy: -22.869
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -22.398
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: 3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 2.433333
Total energy: -50.872254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.872254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.872254 (E_RNA)
where:
Base-Base interactions energy: -14.330
where: short stacking energy: -14.330
Base-Backbone interact. energy: -0.278
local terms energy: -36.265014
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -23.502
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: 1.278
tors. eta vs tors. theta energy: 14.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 426
Temperature: 2.816667
Total energy: -33.124103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.124103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.124103 (E_RNA)
where:
Base-Base interactions energy: -2.398
where: short stacking energy: -1.892
Base-Backbone interact. energy: 1.230
local terms energy: -31.955975
where:
bonds (distance) C4'-P energy: -8.811
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: 0.331
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: 6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 426
Temperature: 3.200000
Total energy: -33.561519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.561519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.561519 (E_RNA)
where:
Base-Base interactions energy: -0.527
where: short stacking energy: 0.100
Base-Backbone interact. energy: 1.587
local terms energy: -34.621204
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -22.057
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -4.081
tors. eta vs tors. theta energy: 18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 426
Temperature: 3.583333
Total energy: -17.368747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.368747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.368747 (E_RNA)
where:
Base-Base interactions energy: -11.244
where: short stacking energy: -7.033
Base-Backbone interact. energy: 1.991
local terms energy: -8.115666
where:
bonds (distance) C4'-P energy: -8.838
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -5.889
flat angles P-C4'-P energy: 0.863
tors. eta vs tors. theta energy: 16.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 426
Temperature: 3.966667
Total energy: -18.092167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.092167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.092167 (E_RNA)
where:
Base-Base interactions energy: -4.803
where: short stacking energy: -3.271
Base-Backbone interact. energy: -0.711
local terms energy: -12.578209
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -10.934
flat angles C4'-P-C4' energy: -1.032
flat angles P-C4'-P energy: -1.661
tors. eta vs tors. theta energy: 18.548
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: 10
=====================================
Write number: 426
Temperature: 4.350000
Total energy: -2.191922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.191922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.191922 (E_RNA)
where:
Base-Base interactions energy: 1.100
where: short stacking energy: 1.100
Base-Backbone interact. energy: 1.433
local terms energy: -4.724634
where:
bonds (distance) C4'-P energy: -7.361
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -1.840
flat angles P-C4'-P energy: 7.307
tors. eta vs tors. theta energy: 14.078
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: 1
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -374.626810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.626810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.626810 (E_RNA)
where:
Base-Base interactions energy: -254.082
where: short stacking energy: -115.316
Base-Backbone interact. energy: -0.930
local terms energy: -119.615516
where:
bonds (distance) C4'-P energy: -22.693
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -24.941
flat angles P-C4'-P energy: -20.396
tors. eta vs tors. theta energy: -28.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 1.283333
Total energy: -200.871353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.871353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.871353 (E_RNA)
where:
Base-Base interactions energy: -112.216
where: short stacking energy: -69.959
Base-Backbone interact. energy: -0.435
local terms energy: -88.220475
where:
bonds (distance) C4'-P energy: -25.030
bonds (distance) P-C4' energy: -24.824
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -8.420
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: 5
=====================================
Write number: 427
Temperature: 1.666667
Total energy: -84.377443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.377443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.377443 (E_RNA)
where:
Base-Base interactions energy: -31.434
where: short stacking energy: -21.537
Base-Backbone interact. energy: 0.673
local terms energy: -53.616575
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -23.047
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: 9.742
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: 4, replica: 8
=====================================
Write number: 427
Temperature: 2.050000
Total energy: -60.880444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.880444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.880444 (E_RNA)
where:
Base-Base interactions energy: -11.929
where: short stacking energy: -9.229
Base-Backbone interact. energy: 0.321
local terms energy: -49.272523
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -18.571
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: 7.783
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: 9
=====================================
Write number: 427
Temperature: 2.433333
Total energy: -48.884612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.884612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.884612 (E_RNA)
where:
Base-Base interactions energy: -17.073
where: short stacking energy: -17.073
Base-Backbone interact. energy: 0.456
local terms energy: -32.267132
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -0.906
tors. eta vs tors. theta energy: 14.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 427
Temperature: 2.816667
Total energy: -42.615638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.615638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.615638 (E_RNA)
where:
Base-Base interactions energy: -13.622
where: short stacking energy: -2.706
Base-Backbone interact. energy: 1.495
local terms energy: -30.489382
where:
bonds (distance) C4'-P energy: -2.239
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -4.240
tors. eta vs tors. theta energy: 2.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 427
Temperature: 3.200000
Total energy: -31.812267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.812267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.812267 (E_RNA)
where:
Base-Base interactions energy: -16.968
where: short stacking energy: -16.968
Base-Backbone interact. energy: -0.457
local terms energy: -14.387243
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -5.323
flat angles C4'-P-C4' energy: -0.468
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: 13.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 427
Temperature: 3.583333
Total energy: -13.511193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.511193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.511193 (E_RNA)
where:
Base-Base interactions energy: -10.020
where: short stacking energy: -10.020
Base-Backbone interact. energy: 5.573
local terms energy: -9.064395
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -10.335
flat angles C4'-P-C4' energy: -1.841
flat angles P-C4'-P energy: 0.178
tors. eta vs tors. theta energy: 9.547
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: 3
=====================================
Write number: 427
Temperature: 3.966667
Total energy: -5.489133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.489133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.489133 (E_RNA)
where:
Base-Base interactions energy: -5.755
where: short stacking energy: -3.643
Base-Backbone interact. energy: -0.153
local terms energy: 0.418563
where:
bonds (distance) C4'-P energy: -6.432
bonds (distance) P-C4' energy: -3.184
flat angles C4'-P-C4' energy: -8.115
flat angles P-C4'-P energy: 0.572
tors. eta vs tors. theta energy: 17.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 4.350000
Total energy: -7.605835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.605835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.605835 (E_RNA)
where:
Base-Base interactions energy: -1.467
where: short stacking energy: -1.228
Base-Backbone interact. energy: -0.022
local terms energy: -6.116827
where:
bonds (distance) C4'-P energy: -4.226
bonds (distance) P-C4' energy: -9.480
flat angles C4'-P-C4' energy: -3.065
flat angles P-C4'-P energy: -2.969
tors. eta vs tors. theta energy: 13.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -373.268631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.268631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.268631 (E_RNA)
where:
Base-Base interactions energy: -244.478
where: short stacking energy: -112.366
Base-Backbone interact. energy: -0.096
local terms energy: -128.694921
where:
bonds (distance) C4'-P energy: -20.725
bonds (distance) P-C4' energy: -28.558
flat angles C4'-P-C4' energy: -27.361
flat angles P-C4'-P energy: -17.541
tors. eta vs tors. theta energy: -34.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 428
Temperature: 1.283333
Total energy: -199.380936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.380936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.380936 (E_RNA)
where:
Base-Base interactions energy: -120.248
where: short stacking energy: -68.239
Base-Backbone interact. energy: -0.110
local terms energy: -79.023205
where:
bonds (distance) C4'-P energy: -24.198
bonds (distance) P-C4' energy: -25.843
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -3.302
tors. eta vs tors. theta energy: -9.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 428
Temperature: 1.666667
Total energy: -86.449899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.449899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.449899 (E_RNA)
where:
Base-Base interactions energy: -21.963
where: short stacking energy: -19.541
Base-Backbone interact. energy: -1.101
local terms energy: -63.386200
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: 1.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 428
Temperature: 2.050000
Total energy: -57.506712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.506712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.506712 (E_RNA)
where:
Base-Base interactions energy: -17.670
where: short stacking energy: -14.643
Base-Backbone interact. energy: -0.722
local terms energy: -39.115539
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: 0.344
tors. eta vs tors. theta energy: 8.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 428
Temperature: 2.433333
Total energy: -47.616344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.616344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.616344 (E_RNA)
where:
Base-Base interactions energy: -3.138
where: short stacking energy: -2.452
Base-Backbone interact. energy: -0.266
local terms energy: -44.212857
where:
bonds (distance) C4'-P energy: -26.358
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -9.499
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: 17.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 428
Temperature: 2.816667
Total energy: -38.515864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.515864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.515864 (E_RNA)
where:
Base-Base interactions energy: -17.049
where: short stacking energy: -9.993
Base-Backbone interact. energy: -0.303
local terms energy: -21.164312
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -4.035
flat angles P-C4'-P energy: -6.059
tors. eta vs tors. theta energy: 17.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 428
Temperature: 3.200000
Total energy: -30.964113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.964113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.964113 (E_RNA)
where:
Base-Base interactions energy: -13.671
where: short stacking energy: -13.590
Base-Backbone interact. energy: 0.926
local terms energy: -18.219512
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -6.188
flat angles P-C4'-P energy: 6.287
tors. eta vs tors. theta energy: 12.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 428
Temperature: 3.583333
Total energy: -17.591647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.591647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.591647 (E_RNA)
where:
Base-Base interactions energy: -12.798
where: short stacking energy: -9.077
Base-Backbone interact. energy: -0.411
local terms energy: -4.383055
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: 1.313
flat angles P-C4'-P energy: 11.375
tors. eta vs tors. theta energy: 16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 3.966667
Total energy: -5.772468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.772468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.772468 (E_RNA)
where:
Base-Base interactions energy: 1.648
where: short stacking energy: -0.812
Base-Backbone interact. energy: 2.047
local terms energy: -9.467874
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -8.608
flat angles P-C4'-P energy: 7.341
tors. eta vs tors. theta energy: 19.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 4.350000
Total energy: -7.023217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.023217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.023217 (E_RNA)
where:
Base-Base interactions energy: -0.062
where: short stacking energy: -0.655
Base-Backbone interact. energy: -0.795
local terms energy: -6.166199
where:
bonds (distance) C4'-P energy: -4.562
bonds (distance) P-C4' energy: -19.248
flat angles C4'-P-C4' energy: -5.715
flat angles P-C4'-P energy: 1.977
tors. eta vs tors. theta energy: 21.382
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: 429
Temperature: 0.900000
Total energy: -365.217417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.217417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.217417 (E_RNA)
where:
Base-Base interactions energy: -243.695
where: short stacking energy: -107.103
Base-Backbone interact. energy: -0.670
local terms energy: -120.852759
where:
bonds (distance) C4'-P energy: -20.550
bonds (distance) P-C4' energy: -20.972
flat angles C4'-P-C4' energy: -29.998
flat angles P-C4'-P energy: -20.888
tors. eta vs tors. theta energy: -28.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 429
Temperature: 1.283333
Total energy: -201.481733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.481733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.481733 (E_RNA)
where:
Base-Base interactions energy: -103.173
where: short stacking energy: -59.184
Base-Backbone interact. energy: -0.307
local terms energy: -98.002224
where:
bonds (distance) C4'-P energy: -27.000
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -7.897
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: 5
=====================================
Write number: 429
Temperature: 1.666667
Total energy: -86.454240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.454240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.454240 (E_RNA)
where:
Base-Base interactions energy: -28.673
where: short stacking energy: -25.022
Base-Backbone interact. energy: -0.335
local terms energy: -57.446403
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -17.274
tors. eta vs tors. theta energy: 6.895
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: 4, replica: 8
=====================================
Write number: 429
Temperature: 2.050000
Total energy: -63.054361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.054361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.054361 (E_RNA)
where:
Base-Base interactions energy: -9.146
where: short stacking energy: -9.746
Base-Backbone interact. energy: -0.562
local terms energy: -53.346753
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -3.881
tors. eta vs tors. theta energy: 7.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 429
Temperature: 2.433333
Total energy: -51.800695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.800695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.800695 (E_RNA)
where:
Base-Base interactions energy: -16.484
where: short stacking energy: -6.067
Base-Backbone interact. energy: -0.778
local terms energy: -34.538601
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -0.017
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: 14.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 429
Temperature: 2.816667
Total energy: -31.583250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.583250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.583250 (E_RNA)
where:
Base-Base interactions energy: -1.925
where: short stacking energy: -0.364
Base-Backbone interact. energy: -0.814
local terms energy: -28.844348
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -0.439
tors. eta vs tors. theta energy: 17.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 429
Temperature: 3.200000
Total energy: -32.145103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.145103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.145103 (E_RNA)
where:
Base-Base interactions energy: -10.025
where: short stacking energy: -6.462
Base-Backbone interact. energy: -0.253
local terms energy: -21.867489
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: 1.122
flat angles P-C4'-P energy: -2.287
tors. eta vs tors. theta energy: 9.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 429
Temperature: 3.583333
Total energy: -14.848300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.848300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.848300 (E_RNA)
where:
Base-Base interactions energy: -5.402
where: short stacking energy: -11.202
Base-Backbone interact. energy: 1.207
local terms energy: -10.653360
where:
bonds (distance) C4'-P energy: -7.121
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -7.213
flat angles P-C4'-P energy: 5.906
tors. eta vs tors. theta energy: 14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 429
Temperature: 3.966667
Total energy: -7.428704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.428704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.428704 (E_RNA)
where:
Base-Base interactions energy: -0.394
where: short stacking energy: 0.054
Base-Backbone interact. energy: 2.200
local terms energy: -9.235193
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -2.528
flat angles P-C4'-P energy: 11.117
tors. eta vs tors. theta energy: 20.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 429
Temperature: 4.350000
Total energy: -2.892455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.892455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.892455 (E_RNA)
where:
Base-Base interactions energy: -3.114
where: short stacking energy: -1.021
Base-Backbone interact. energy: -0.387
local terms energy: 0.608405
where:
bonds (distance) C4'-P energy: -6.685
bonds (distance) P-C4' energy: -11.155
flat angles C4'-P-C4' energy: 7.149
flat angles P-C4'-P energy: 0.368
tors. eta vs tors. theta energy: 10.931
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: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -367.646513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.646513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.646513 (E_RNA)
where:
Base-Base interactions energy: -239.445
where: short stacking energy: -109.909
Base-Backbone interact. energy: -1.708
local terms energy: -126.493517
where:
bonds (distance) C4'-P energy: -26.450
bonds (distance) P-C4' energy: -29.810
flat angles C4'-P-C4' energy: -26.426
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -30.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 430
Temperature: 1.283333
Total energy: -195.181895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.181895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.181895 (E_RNA)
where:
Base-Base interactions energy: -110.004
where: short stacking energy: -54.060
Base-Backbone interact. energy: -0.323
local terms energy: -84.855346
where:
bonds (distance) C4'-P energy: -23.846
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -19.839
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 430
Temperature: 1.666667
Total energy: -83.863867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.863867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.863867 (E_RNA)
where:
Base-Base interactions energy: -46.360
where: short stacking energy: -35.508
Base-Backbone interact. energy: -0.591
local terms energy: -36.912201
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -9.724
flat angles P-C4'-P energy: -2.457
tors. eta vs tors. theta energy: 7.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 430
Temperature: 2.050000
Total energy: -63.031617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.031617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.031617 (E_RNA)
where:
Base-Base interactions energy: -19.224
where: short stacking energy: -12.198
Base-Backbone interact. energy: 2.880
local terms energy: -46.688090
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: 7.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 430
Temperature: 2.433333
Total energy: -48.716288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.716288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.716288 (E_RNA)
where:
Base-Base interactions energy: -15.838
where: short stacking energy: -9.643
Base-Backbone interact. energy: 1.294
local terms energy: -34.172832
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -23.683
flat angles C4'-P-C4' energy: 2.849
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: 12.181
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: 430
Temperature: 2.816667
Total energy: -30.009597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.009597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.009597 (E_RNA)
where:
Base-Base interactions energy: -9.059
where: short stacking energy: -6.457
Base-Backbone interact. energy: 1.087
local terms energy: -22.037654
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -3.323
flat angles P-C4'-P energy: 6.058
tors. eta vs tors. theta energy: 16.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 430
Temperature: 3.200000
Total energy: -21.478286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.478286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.478286 (E_RNA)
where:
Base-Base interactions energy: -4.057
where: short stacking energy: -4.057
Base-Backbone interact. energy: -0.558
local terms energy: -16.862803
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -0.211
flat angles P-C4'-P energy: -3.204
tors. eta vs tors. theta energy: 17.391
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: 9
=====================================
Write number: 430
Temperature: 3.583333
Total energy: -18.790181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.790181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.790181 (E_RNA)
where:
Base-Base interactions energy: -1.178
where: short stacking energy: 1.371
Base-Backbone interact. energy: -0.304
local terms energy: -17.308103
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -0.716
flat angles P-C4'-P energy: -2.536
tors. eta vs tors. theta energy: 14.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 430
Temperature: 3.966667
Total energy: -16.090475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.090475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.090475 (E_RNA)
where:
Base-Base interactions energy: -2.299
where: short stacking energy: -0.462
Base-Backbone interact. energy: 1.373
local terms energy: -15.165227
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -8.081
flat angles C4'-P-C4' energy: -5.678
flat angles P-C4'-P energy: -1.727
tors. eta vs tors. theta energy: 16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 430
Temperature: 4.350000
Total energy: -4.327172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.327172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.327172 (E_RNA)
where:
Base-Base interactions energy: -7.257
where: short stacking energy: -6.594
Base-Backbone interact. energy: 7.965
local terms energy: -5.034867
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -3.437
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -0.437
tors. eta vs tors. theta energy: 19.939
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: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -358.928819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.928819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.928819 (E_RNA)
where:
Base-Base interactions energy: -236.187
where: short stacking energy: -109.998
Base-Backbone interact. energy: -0.417
local terms energy: -122.324844
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -26.611
flat angles C4'-P-C4' energy: -29.403
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -31.108
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: 2
=====================================
Write number: 431
Temperature: 1.283333
Total energy: -187.637460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.637460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.637460 (E_RNA)
where:
Base-Base interactions energy: -104.854
where: short stacking energy: -62.061
Base-Backbone interact. energy: -0.398
local terms energy: -82.385560
where:
bonds (distance) C4'-P energy: -20.418
bonds (distance) P-C4' energy: -25.310
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -6.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 431
Temperature: 1.666667
Total energy: -77.851405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.851405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.851405 (E_RNA)
where:
Base-Base interactions energy: -27.205
where: short stacking energy: -22.207
Base-Backbone interact. energy: 0.279
local terms energy: -50.925214
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: 0.818
tors. eta vs tors. theta energy: 6.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 431
Temperature: 2.050000
Total energy: -57.422996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.422996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.422996 (E_RNA)
where:
Base-Base interactions energy: -14.218
where: short stacking energy: -11.581
Base-Backbone interact. energy: 1.576
local terms energy: -44.780283
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -3.510
tors. eta vs tors. theta energy: 7.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 431
Temperature: 2.433333
Total energy: -47.232165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.232165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.232165 (E_RNA)
where:
Base-Base interactions energy: -4.328
where: short stacking energy: -2.815
Base-Backbone interact. energy: 0.939
local terms energy: -43.843137
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -24.901
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -3.799
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: 6, replica: 6
=====================================
Write number: 431
Temperature: 2.816667
Total energy: -31.179689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.179689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.179689 (E_RNA)
where:
Base-Base interactions energy: -15.087
where: short stacking energy: -9.605
Base-Backbone interact. energy: -0.225
local terms energy: -15.867580
where:
bonds (distance) C4'-P energy: -4.532
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -8.650
flat angles P-C4'-P energy: -1.082
tors. eta vs tors. theta energy: 12.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 431
Temperature: 3.200000
Total energy: -23.814084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.814084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.814084 (E_RNA)
where:
Base-Base interactions energy: -8.150
where: short stacking energy: -2.366
Base-Backbone interact. energy: -1.182
local terms energy: -14.482877
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -5.706
flat angles P-C4'-P energy: 13.015
tors. eta vs tors. theta energy: 8.512
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: 3
=====================================
Write number: 431
Temperature: 3.583333
Total energy: -21.962610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.962610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.962610 (E_RNA)
where:
Base-Base interactions energy: -2.010
where: short stacking energy: -0.080
Base-Backbone interact. energy: -0.949
local terms energy: -19.003622
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -4.625
flat angles C4'-P-C4' energy: -8.097
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: 15.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 431
Temperature: 3.966667
Total energy: -10.224929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.224929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.224929 (E_RNA)
where:
Base-Base interactions energy: -2.026
where: short stacking energy: -3.126
Base-Backbone interact. energy: 1.682
local terms energy: -9.880919
where:
bonds (distance) C4'-P energy: -0.993
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -6.141
flat angles P-C4'-P energy: -1.179
tors. eta vs tors. theta energy: 14.105
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: 10, replica: 7
=====================================
Write number: 431
Temperature: 4.350000
Total energy: -1.518956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.518956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.518956 (E_RNA)
where:
Base-Base interactions energy: -1.044
where: short stacking energy: -0.857
Base-Backbone interact. energy: 5.658
local terms energy: -6.132346
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -4.939
flat angles C4'-P-C4' energy: 6.047
flat angles P-C4'-P energy: -4.652
tors. eta vs tors. theta energy: 15.490
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: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -366.692364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.692364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.692364 (E_RNA)
where:
Base-Base interactions energy: -247.984
where: short stacking energy: -116.066
Base-Backbone interact. energy: -0.147
local terms energy: -118.560645
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -26.723
flat angles C4'-P-C4' energy: -24.690
flat angles P-C4'-P energy: -17.928
tors. eta vs tors. theta energy: -29.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 432
Temperature: 1.283333
Total energy: -187.657001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.657001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.657001 (E_RNA)
where:
Base-Base interactions energy: -99.647
where: short stacking energy: -58.369
Base-Backbone interact. energy: -0.223
local terms energy: -87.787213
where:
bonds (distance) C4'-P energy: -25.472
bonds (distance) P-C4' energy: -22.072
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -9.321
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: 3, replica: 8
=====================================
Write number: 432
Temperature: 1.666667
Total energy: -82.682066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.682066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.682066 (E_RNA)
where:
Base-Base interactions energy: -18.374
where: short stacking energy: -14.876
Base-Backbone interact. energy: -0.821
local terms energy: -63.486649
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: 7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 432
Temperature: 2.050000
Total energy: -71.130623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.130623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.130623 (E_RNA)
where:
Base-Base interactions energy: -21.473
where: short stacking energy: -19.266
Base-Backbone interact. energy: -0.647
local terms energy: -49.010046
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -3.774
tors. eta vs tors. theta energy: 8.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 2.433333
Total energy: -48.161871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.161871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.161871 (E_RNA)
where:
Base-Base interactions energy: -22.918
where: short stacking energy: -9.968
Base-Backbone interact. energy: -0.532
local terms energy: -24.712309
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -3.891
flat angles C4'-P-C4' energy: -7.761
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: 15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 432
Temperature: 2.816667
Total energy: -33.827668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.827668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.827668 (E_RNA)
where:
Base-Base interactions energy: -11.359
where: short stacking energy: -6.423
Base-Backbone interact. energy: 0.721
local terms energy: -23.189040
where:
bonds (distance) C4'-P energy: -5.054
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -8.352
flat angles P-C4'-P energy: -4.282
tors. eta vs tors. theta energy: 14.040
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: 3
=====================================
Write number: 432
Temperature: 3.200000
Total energy: -19.437643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.437643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.437643 (E_RNA)
where:
Base-Base interactions energy: -5.188
where: short stacking energy: -4.259
Base-Backbone interact. energy: 4.277
local terms energy: -18.526732
where:
bonds (distance) C4'-P energy: -24.698
bonds (distance) P-C4' energy: -9.255
flat angles C4'-P-C4' energy: -3.857
flat angles P-C4'-P energy: -2.513
tors. eta vs tors. theta energy: 21.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 432
Temperature: 3.583333
Total energy: -14.739805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.739805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.739805 (E_RNA)
where:
Base-Base interactions energy: -6.322
where: short stacking energy: -7.748
Base-Backbone interact. energy: 0.078
local terms energy: -8.495414
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -9.941
flat angles C4'-P-C4' energy: 1.531
flat angles P-C4'-P energy: 2.579
tors. eta vs tors. theta energy: 12.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 432
Temperature: 3.966667
Total energy: -8.244350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.244350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.244350 (E_RNA)
where:
Base-Base interactions energy: -0.061
where: short stacking energy: -1.631
Base-Backbone interact. energy: 7.052
local terms energy: -15.235318
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: 1.792
flat angles P-C4'-P energy: 0.434
tors. eta vs tors. theta energy: 7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 4.350000
Total energy: 0.738880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.738880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.738880 (E_RNA)
where:
Base-Base interactions energy: -5.016
where: short stacking energy: -1.388
Base-Backbone interact. energy: -1.188
local terms energy: 6.942195
where:
bonds (distance) C4'-P energy: -4.470
bonds (distance) P-C4' energy: -10.291
flat angles C4'-P-C4' energy: 16.637
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: 13.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -363.150023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.150023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.150023 (E_RNA)
where:
Base-Base interactions energy: -247.088
where: short stacking energy: -112.975
Base-Backbone interact. energy: -0.098
local terms energy: -115.964255
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -25.099
flat angles C4'-P-C4' energy: -25.921
flat angles P-C4'-P energy: -15.991
tors. eta vs tors. theta energy: -25.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 433
Temperature: 1.283333
Total energy: -209.264009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.264009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.264009 (E_RNA)
where:
Base-Base interactions energy: -131.129
where: short stacking energy: -76.992
Base-Backbone interact. energy: 6.503
local terms energy: -84.637771
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -25.797
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -15.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 433
Temperature: 1.666667
Total energy: -81.183515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.183515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.183515 (E_RNA)
where:
Base-Base interactions energy: -29.449
where: short stacking energy: -17.959
Base-Backbone interact. energy: 1.798
local terms energy: -53.532401
where:
bonds (distance) C4'-P energy: -24.277
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: 12.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 433
Temperature: 2.050000
Total energy: -57.342493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.342493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.342493 (E_RNA)
where:
Base-Base interactions energy: -13.454
where: short stacking energy: -12.121
Base-Backbone interact. energy: -1.547
local terms energy: -42.341379
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -2.462
tors. eta vs tors. theta energy: 3.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 433
Temperature: 2.433333
Total energy: -46.155066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.155066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.155066 (E_RNA)
where:
Base-Base interactions energy: -5.548
where: short stacking energy: -3.675
Base-Backbone interact. energy: -0.727
local terms energy: -39.880917
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -8.919
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: 15.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 433
Temperature: 2.816667
Total energy: -30.792087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.792087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.792087 (E_RNA)
where:
Base-Base interactions energy: -6.583
where: short stacking energy: -8.105
Base-Backbone interact. energy: 1.137
local terms energy: -25.345161
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -2.483
tors. eta vs tors. theta energy: 12.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 433
Temperature: 3.200000
Total energy: -27.426264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.426264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.426264 (E_RNA)
where:
Base-Base interactions energy: -7.132
where: short stacking energy: -3.595
Base-Backbone interact. energy: -0.455
local terms energy: -19.839408
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -2.351
flat angles P-C4'-P energy: 2.390
tors. eta vs tors. theta energy: 17.223
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: 10
=====================================
Write number: 433
Temperature: 3.583333
Total energy: -11.124802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.124802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.124802 (E_RNA)
where:
Base-Base interactions energy: -4.264
where: short stacking energy: -3.450
Base-Backbone interact. energy: 2.092
local terms energy: -8.952945
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -0.572
flat angles C4'-P-C4' energy: 5.772
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: 15.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 433
Temperature: 3.966667
Total energy: -7.709889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.709889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.709889 (E_RNA)
where:
Base-Base interactions energy: -5.671
where: short stacking energy: -6.354
Base-Backbone interact. energy: 10.610
local terms energy: -12.648793
where:
bonds (distance) C4'-P energy: -5.008
bonds (distance) P-C4' energy: -9.648
flat angles C4'-P-C4' energy: -10.054
flat angles P-C4'-P energy: -2.102
tors. eta vs tors. theta energy: 14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 433
Temperature: 4.350000
Total energy: -6.114986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.114986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.114986 (E_RNA)
where:
Base-Base interactions energy: -11.891
where: short stacking energy: -7.520
Base-Backbone interact. energy: 4.617
local terms energy: 1.158366
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -3.702
flat angles P-C4'-P energy: 10.184
tors. eta vs tors. theta energy: 18.569
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: 434
Temperature: 0.900000
Total energy: -366.097189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.097189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.097189 (E_RNA)
where:
Base-Base interactions energy: -246.562
where: short stacking energy: -109.455
Base-Backbone interact. energy: -0.152
local terms energy: -119.383582
where:
bonds (distance) C4'-P energy: -24.699
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -27.489
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -28.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 434
Temperature: 1.283333
Total energy: -195.159795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.159795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.159795 (E_RNA)
where:
Base-Base interactions energy: -113.458
where: short stacking energy: -58.453
Base-Backbone interact. energy: -0.638
local terms energy: -81.063925
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -20.960
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -19.396
tors. eta vs tors. theta energy: -4.012
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: 8
=====================================
Write number: 434
Temperature: 1.666667
Total energy: -86.310722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.310722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.310722 (E_RNA)
where:
Base-Base interactions energy: -23.195
where: short stacking energy: -21.349
Base-Backbone interact. energy: 0.155
local terms energy: -63.270491
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -23.591
flat angles C4'-P-C4' energy: -19.690
flat angles P-C4'-P energy: -3.098
tors. eta vs tors. theta energy: 3.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 434
Temperature: 2.050000
Total energy: -64.364117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.364117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.364117 (E_RNA)
where:
Base-Base interactions energy: -22.621
where: short stacking energy: -18.233
Base-Backbone interact. energy: 1.160
local terms energy: -42.902789
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -2.142
tors. eta vs tors. theta energy: 6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 2.433333
Total energy: -42.433118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.433118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.433118 (E_RNA)
where:
Base-Base interactions energy: -4.765
where: short stacking energy: -4.120
Base-Backbone interact. energy: 2.116
local terms energy: -39.784140
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -18.668
flat angles C4'-P-C4' energy: -2.022
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: 10.340
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: 4
=====================================
Write number: 434
Temperature: 2.816667
Total energy: -34.502976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.502976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.502976 (E_RNA)
where:
Base-Base interactions energy: -6.399
where: short stacking energy: -6.325
Base-Backbone interact. energy: 6.733
local terms energy: -34.836824
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -6.492
flat angles P-C4'-P energy: -5.341
tors. eta vs tors. theta energy: 15.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 434
Temperature: 3.200000
Total energy: -21.022627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.022627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.022627 (E_RNA)
where:
Base-Base interactions energy: -13.233
where: short stacking energy: -11.353
Base-Backbone interact. energy: 1.203
local terms energy: -8.992191
where:
bonds (distance) C4'-P energy: -3.868
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: 1.581
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: 15.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 434
Temperature: 3.583333
Total energy: -18.928309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.928309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.928309 (E_RNA)
where:
Base-Base interactions energy: -10.616
where: short stacking energy: -4.820
Base-Backbone interact. energy: -0.766
local terms energy: -7.546242
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -8.829
flat angles C4'-P-C4' energy: 4.155
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: 12.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 3.966667
Total energy: -11.380705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.380705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.380705 (E_RNA)
where:
Base-Base interactions energy: -6.293
where: short stacking energy: -7.493
Base-Backbone interact. energy: -0.529
local terms energy: -4.559263
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -9.435
flat angles C4'-P-C4' energy: 2.012
flat angles P-C4'-P energy: 3.755
tors. eta vs tors. theta energy: 10.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 434
Temperature: 4.350000
Total energy: 2.118335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 2.118335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 2.118335 (E_RNA)
where:
Base-Base interactions energy: -2.858
where: short stacking energy: -1.498
Base-Backbone interact. energy: 1.499
local terms energy: 3.477217
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: 0.580
flat angles P-C4'-P energy: 19.696
tors. eta vs tors. theta energy: 14.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -366.738676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.738676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.738676 (E_RNA)
where:
Base-Base interactions energy: -242.703
where: short stacking energy: -103.357
Base-Backbone interact. energy: -0.131
local terms energy: -123.904935
where:
bonds (distance) C4'-P energy: -25.735
bonds (distance) P-C4' energy: -27.963
flat angles C4'-P-C4' energy: -21.251
flat angles P-C4'-P energy: -17.981
tors. eta vs tors. theta energy: -30.975
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: 2
=====================================
Write number: 435
Temperature: 1.283333
Total energy: -182.871636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.871636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.871636 (E_RNA)
where:
Base-Base interactions energy: -105.643
where: short stacking energy: -49.299
Base-Backbone interact. energy: -0.346
local terms energy: -76.883407
where:
bonds (distance) C4'-P energy: -22.815
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -7.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 435
Temperature: 1.666667
Total energy: -84.632636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.632636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.632636 (E_RNA)
where:
Base-Base interactions energy: -29.141
where: short stacking energy: -29.218
Base-Backbone interact. energy: -0.337
local terms energy: -55.154035
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: 1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 435
Temperature: 2.050000
Total energy: -69.024236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.024236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.024236 (E_RNA)
where:
Base-Base interactions energy: -20.797
where: short stacking energy: -14.528
Base-Backbone interact. energy: -0.764
local terms energy: -47.463096
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -21.227
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: 3.721
tors. eta vs tors. theta energy: 1.781
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: 5, replica: 6
=====================================
Write number: 435
Temperature: 2.433333
Total energy: -56.324746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.324746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.324746 (E_RNA)
where:
Base-Base interactions energy: -22.823
where: short stacking energy: -16.323
Base-Backbone interact. energy: 0.963
local terms energy: -34.464324
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -5.446
flat angles P-C4'-P energy: -1.579
tors. eta vs tors. theta energy: 8.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 2.816667
Total energy: -32.843560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.843560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.843560 (E_RNA)
where:
Base-Base interactions energy: 1.035
where: short stacking energy: 2.140
Base-Backbone interact. energy: 0.964
local terms energy: -34.842719
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -0.237
tors. eta vs tors. theta energy: 13.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 435
Temperature: 3.200000
Total energy: -27.519107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.519107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.519107 (E_RNA)
where:
Base-Base interactions energy: -8.271
where: short stacking energy: -4.897
Base-Backbone interact. energy: -0.729
local terms energy: -18.519503
where:
bonds (distance) C4'-P energy: -6.553
bonds (distance) P-C4' energy: -6.701
flat angles C4'-P-C4' energy: -6.565
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: 13.007
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: 7
=====================================
Write number: 435
Temperature: 3.583333
Total energy: -13.464796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.464796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.464796 (E_RNA)
where:
Base-Base interactions energy: -9.521
where: short stacking energy: -4.805
Base-Backbone interact. energy: -0.568
local terms energy: -3.375885
where:
bonds (distance) C4'-P energy: -8.388
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: 5.037
flat angles P-C4'-P energy: 3.983
tors. eta vs tors. theta energy: 7.690
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: 3
=====================================
Write number: 435
Temperature: 3.966667
Total energy: -5.367040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.367040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.367040 (E_RNA)
where:
Base-Base interactions energy: -13.519
where: short stacking energy: -7.978
Base-Backbone interact. energy: 4.619
local terms energy: 3.532555
where:
bonds (distance) C4'-P energy: -9.318
bonds (distance) P-C4' energy: -11.163
flat angles C4'-P-C4' energy: 7.097
flat angles P-C4'-P energy: 4.881
tors. eta vs tors. theta energy: 12.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 435
Temperature: 4.350000
Total energy: -4.057334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.057334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.057334 (E_RNA)
where:
Base-Base interactions energy: 0.803
where: short stacking energy: 0.803
Base-Backbone interact. energy: 10.190
local terms energy: -15.050186
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: 0.392
flat angles P-C4'-P energy: 3.815
tors. eta vs tors. theta energy: 13.635
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: 1
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -371.476724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.476724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.476724 (E_RNA)
where:
Base-Base interactions energy: -241.710
where: short stacking energy: -114.659
Base-Backbone interact. energy: -0.090
local terms energy: -129.677141
where:
bonds (distance) C4'-P energy: -23.344
bonds (distance) P-C4' energy: -27.709
flat angles C4'-P-C4' energy: -30.131
flat angles P-C4'-P energy: -19.128
tors. eta vs tors. theta energy: -29.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 436
Temperature: 1.283333
Total energy: -193.193640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.193640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.193640 (E_RNA)
where:
Base-Base interactions energy: -110.811
where: short stacking energy: -54.834
Base-Backbone interact. energy: -0.770
local terms energy: -81.613531
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 436
Temperature: 1.666667
Total energy: -95.262351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.262351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.262351 (E_RNA)
where:
Base-Base interactions energy: -35.440
where: short stacking energy: -35.731
Base-Backbone interact. energy: -0.196
local terms energy: -59.626101
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -22.565
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -15.749
tors. eta vs tors. theta energy: 3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 436
Temperature: 2.050000
Total energy: -61.635774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.635774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.635774 (E_RNA)
where:
Base-Base interactions energy: -12.312
where: short stacking energy: -12.312
Base-Backbone interact. energy: -0.234
local terms energy: -49.088935
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -17.680
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: 9.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 436
Temperature: 2.433333
Total energy: -53.491234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.491234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.491234 (E_RNA)
where:
Base-Base interactions energy: -9.574
where: short stacking energy: -6.794
Base-Backbone interact. energy: -0.471
local terms energy: -43.445835
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: 6.748
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: 6
=====================================
Write number: 436
Temperature: 2.816667
Total energy: -54.609049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.609049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.609049 (E_RNA)
where:
Base-Base interactions energy: -5.548
where: short stacking energy: -3.510
Base-Backbone interact. energy: 5.125
local terms energy: -54.185720
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -23.430
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: 9.979
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: 7
=====================================
Write number: 436
Temperature: 3.200000
Total energy: -31.034908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.034908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.034908 (E_RNA)
where:
Base-Base interactions energy: -5.625
where: short stacking energy: -8.083
Base-Backbone interact. energy: 0.056
local terms energy: -25.466614
where:
bonds (distance) C4'-P energy: -7.104
bonds (distance) P-C4' energy: -19.895
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: 3.460
tors. eta vs tors. theta energy: 13.510
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: 4
=====================================
Write number: 436
Temperature: 3.583333
Total energy: -8.568237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.568237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.568237 (E_RNA)
where:
Base-Base interactions energy: 1.747
where: short stacking energy: 2.174
Base-Backbone interact. energy: 0.412
local terms energy: -10.726655
where:
bonds (distance) C4'-P energy: -0.821
bonds (distance) P-C4' energy: -17.941
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: 5.584
tors. eta vs tors. theta energy: 13.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 436
Temperature: 3.966667
Total energy: -11.682175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.682175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.682175 (E_RNA)
where:
Base-Base interactions energy: -6.038
where: short stacking energy: -6.038
Base-Backbone interact. energy: -0.148
local terms energy: -5.495744
where:
bonds (distance) C4'-P energy: -9.268
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -2.711
flat angles P-C4'-P energy: 12.242
tors. eta vs tors. theta energy: 11.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 436
Temperature: 4.350000
Total energy: -7.255957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.255957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.255957 (E_RNA)
where:
Base-Base interactions energy: -7.578
where: short stacking energy: -5.891
Base-Backbone interact. energy: -0.222
local terms energy: 0.543835
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: 3.331
flat angles P-C4'-P energy: 10.514
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: 437
Temperature: 0.900000
Total energy: -367.691136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.691136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.691136 (E_RNA)
where:
Base-Base interactions energy: -243.930
where: short stacking energy: -120.205
Base-Backbone interact. energy: -0.023
local terms energy: -123.737648
where:
bonds (distance) C4'-P energy: -27.686
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -23.418
flat angles P-C4'-P energy: -17.541
tors. eta vs tors. theta energy: -34.547
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: 2
=====================================
Write number: 437
Temperature: 1.283333
Total energy: -182.416278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.416278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.416278 (E_RNA)
where:
Base-Base interactions energy: -113.376
where: short stacking energy: -51.185
Base-Backbone interact. energy: 2.067
local terms energy: -71.107385
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -8.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 437
Temperature: 1.666667
Total energy: -82.265248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.265248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.265248 (E_RNA)
where:
Base-Base interactions energy: -30.774
where: short stacking energy: -30.774
Base-Backbone interact. energy: -0.165
local terms energy: -51.326182
where:
bonds (distance) C4'-P energy: -23.076
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -8.760
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: 3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 437
Temperature: 2.050000
Total energy: -60.333776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.333776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.333776 (E_RNA)
where:
Base-Base interactions energy: -20.150
where: short stacking energy: -17.772
Base-Backbone interact. energy: 0.100
local terms energy: -40.283730
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -2.951
tors. eta vs tors. theta energy: 6.479
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: 437
Temperature: 2.433333
Total energy: -40.709521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.709521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.709521 (E_RNA)
where:
Base-Base interactions energy: -7.017
where: short stacking energy: -3.990
Base-Backbone interact. energy: 0.916
local terms energy: -34.608746
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -18.965
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: 1.331
tors. eta vs tors. theta energy: 12.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 437
Temperature: 2.816667
Total energy: -32.969429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.969429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.969429 (E_RNA)
where:
Base-Base interactions energy: -6.068
where: short stacking energy: -4.953
Base-Backbone interact. energy: -0.138
local terms energy: -26.763489
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -0.961
tors. eta vs tors. theta energy: 15.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 437
Temperature: 3.200000
Total energy: -23.688180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.688180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.688180 (E_RNA)
where:
Base-Base interactions energy: -1.398
where: short stacking energy: -1.140
Base-Backbone interact. energy: -0.290
local terms energy: -22.000520
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -7.384
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: 18.423
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: 4
=====================================
Write number: 437
Temperature: 3.583333
Total energy: -22.715443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.715443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.715443 (E_RNA)
where:
Base-Base interactions energy: -3.318
where: short stacking energy: -3.486
Base-Backbone interact. energy: 0.685
local terms energy: -20.081777
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: 14.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 437
Temperature: 3.966667
Total energy: -15.173574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.173574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.173574 (E_RNA)
where:
Base-Base interactions energy: -4.923
where: short stacking energy: -5.661
Base-Backbone interact. energy: 1.556
local terms energy: -11.806543
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -10.891
flat angles C4'-P-C4' energy: -2.043
flat angles P-C4'-P energy: -2.091
tors. eta vs tors. theta energy: 17.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 437
Temperature: 4.350000
Total energy: -6.091809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.091809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.091809 (E_RNA)
where:
Base-Base interactions energy: -2.539
where: short stacking energy: -3.176
Base-Backbone interact. energy: 0.186
local terms energy: -3.739194
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -8.916
flat angles P-C4'-P energy: 6.026
tors. eta vs tors. theta energy: 22.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -382.655164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.655164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.655164 (E_RNA)
where:
Base-Base interactions energy: -252.465
where: short stacking energy: -113.178
Base-Backbone interact. energy: -0.011
local terms energy: -130.179227
where:
bonds (distance) C4'-P energy: -25.650
bonds (distance) P-C4' energy: -29.017
flat angles C4'-P-C4' energy: -24.520
flat angles P-C4'-P energy: -19.477
tors. eta vs tors. theta energy: -31.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 1.283333
Total energy: -187.908083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.908083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.908083 (E_RNA)
where:
Base-Base interactions energy: -100.975
where: short stacking energy: -55.696
Base-Backbone interact. energy: -0.512
local terms energy: -86.420584
where:
bonds (distance) C4'-P energy: -17.425
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -13.747
tors. eta vs tors. theta energy: -10.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 438
Temperature: 1.666667
Total energy: -89.051519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.051519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.051519 (E_RNA)
where:
Base-Base interactions energy: -29.915
where: short stacking energy: -24.047
Base-Backbone interact. energy: -0.383
local terms energy: -58.753454
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -22.596
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -3.454
tors. eta vs tors. theta energy: 4.787
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: 438
Temperature: 2.050000
Total energy: -64.197454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.197454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.197454 (E_RNA)
where:
Base-Base interactions energy: -28.299
where: short stacking energy: -12.377
Base-Backbone interact. energy: -0.730
local terms energy: -35.168176
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: 0.742
tors. eta vs tors. theta energy: 7.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 438
Temperature: 2.433333
Total energy: -44.913603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.913603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.913603 (E_RNA)
where:
Base-Base interactions energy: -14.234
where: short stacking energy: -9.191
Base-Backbone interact. energy: -0.968
local terms energy: -29.711383
where:
bonds (distance) C4'-P energy: -9.434
bonds (distance) P-C4' energy: -25.392
flat angles C4'-P-C4' energy: -6.979
flat angles P-C4'-P energy: 3.772
tors. eta vs tors. theta energy: 8.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 438
Temperature: 2.816667
Total energy: -35.090752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.090752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.090752 (E_RNA)
where:
Base-Base interactions energy: 0.217
where: short stacking energy: -2.783
Base-Backbone interact. energy: 5.580
local terms energy: -40.888512
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -2.331
tors. eta vs tors. theta energy: 17.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 438
Temperature: 3.200000
Total energy: -41.458580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.458580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.458580 (E_RNA)
where:
Base-Base interactions energy: -9.399
where: short stacking energy: -9.029
Base-Backbone interact. energy: 1.850
local terms energy: -33.909238
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -4.942
tors. eta vs tors. theta energy: 12.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 438
Temperature: 3.583333
Total energy: -20.588744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.588744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.588744 (E_RNA)
where:
Base-Base interactions energy: -10.177
where: short stacking energy: -5.099
Base-Backbone interact. energy: 9.248
local terms energy: -19.659708
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -9.526
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -0.288
tors. eta vs tors. theta energy: 13.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 438
Temperature: 3.966667
Total energy: -9.726623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.726623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.726623 (E_RNA)
where:
Base-Base interactions energy: -1.275
where: short stacking energy: 0.000
Base-Backbone interact. energy: 3.526
local terms energy: -11.977441
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -4.876
flat angles P-C4'-P energy: 13.076
tors. eta vs tors. theta energy: 15.253
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: 9
=====================================
Write number: 438
Temperature: 4.350000
Total energy: -3.259063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.259063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.259063 (E_RNA)
where:
Base-Base interactions energy: 0.236
where: short stacking energy: 0.236
Base-Backbone interact. energy: 3.895
local terms energy: -7.389772
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -3.112
flat angles P-C4'-P energy: 3.669
tors. eta vs tors. theta energy: 18.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -379.359517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.359517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.359517 (E_RNA)
where:
Base-Base interactions energy: -254.374
where: short stacking energy: -124.019
Base-Backbone interact. energy: -0.032
local terms energy: -124.953286
where:
bonds (distance) C4'-P energy: -23.700
bonds (distance) P-C4' energy: -27.633
flat angles C4'-P-C4' energy: -27.187
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -34.226
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: 2
=====================================
Write number: 439
Temperature: 1.283333
Total energy: -189.038050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.038050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.038050 (E_RNA)
where:
Base-Base interactions energy: -98.283
where: short stacking energy: -53.398
Base-Backbone interact. energy: -0.312
local terms energy: -90.442665
where:
bonds (distance) C4'-P energy: -22.305
bonds (distance) P-C4' energy: -28.803
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -10.646
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: 5
=====================================
Write number: 439
Temperature: 1.666667
Total energy: -86.798766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.798766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.798766 (E_RNA)
where:
Base-Base interactions energy: -31.809
where: short stacking energy: -16.871
Base-Backbone interact. energy: -0.412
local terms energy: -54.577112
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: 5.903
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: 10
=====================================
Write number: 439
Temperature: 2.050000
Total energy: -63.344263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.344263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.344263 (E_RNA)
where:
Base-Base interactions energy: -25.678
where: short stacking energy: -19.939
Base-Backbone interact. energy: -0.574
local terms energy: -37.092289
where:
bonds (distance) C4'-P energy: -22.757
bonds (distance) P-C4' energy: -9.256
flat angles C4'-P-C4' energy: -9.875
flat angles P-C4'-P energy: -2.947
tors. eta vs tors. theta energy: 7.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 439
Temperature: 2.433333
Total energy: -57.335470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.335470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.335470 (E_RNA)
where:
Base-Base interactions energy: -31.971
where: short stacking energy: -15.759
Base-Backbone interact. energy: 4.775
local terms energy: -30.139263
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -6.716
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -2.804
tors. eta vs tors. theta energy: 9.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 439
Temperature: 2.816667
Total energy: -42.950246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.950246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.950246 (E_RNA)
where:
Base-Base interactions energy: -11.626
where: short stacking energy: -9.040
Base-Backbone interact. energy: -0.277
local terms energy: -31.047898
where:
bonds (distance) C4'-P energy: -3.011
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: 7.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 439
Temperature: 3.200000
Total energy: -31.186191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.186191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.186191 (E_RNA)
where:
Base-Base interactions energy: -14.273
where: short stacking energy: -14.273
Base-Backbone interact. energy: -0.447
local terms energy: -16.465401
where:
bonds (distance) C4'-P energy: 4.265
bonds (distance) P-C4' energy: -19.652
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -1.611
tors. eta vs tors. theta energy: 13.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 439
Temperature: 3.583333
Total energy: -19.273709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.273709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.273709 (E_RNA)
where:
Base-Base interactions energy: -9.956
where: short stacking energy: -5.024
Base-Backbone interact. energy: 1.866
local terms energy: -11.183120
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -6.300
flat angles P-C4'-P energy: 7.396
tors. eta vs tors. theta energy: 13.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 439
Temperature: 3.966667
Total energy: -4.022087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.022087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.022087 (E_RNA)
where:
Base-Base interactions energy: -3.059
where: short stacking energy: -3.441
Base-Backbone interact. energy: -1.170
local terms energy: 0.207061
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -3.947
flat angles C4'-P-C4' energy: -4.119
flat angles P-C4'-P energy: -0.204
tors. eta vs tors. theta energy: 20.175
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: 9
=====================================
Write number: 439
Temperature: 4.350000
Total energy: -2.684717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.684717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.684717 (E_RNA)
where:
Base-Base interactions energy: -0.871
where: short stacking energy: 0.000
Base-Backbone interact. energy: 2.625
local terms energy: -4.439241
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: 1.400
flat angles P-C4'-P energy: -0.015
tors. eta vs tors. theta energy: 17.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -362.544785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.544785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.544785 (E_RNA)
where:
Base-Base interactions energy: -243.477
where: short stacking energy: -119.494
Base-Backbone interact. energy: 3.681
local terms energy: -122.748737
where:
bonds (distance) C4'-P energy: -22.649
bonds (distance) P-C4' energy: -25.225
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -16.705
tors. eta vs tors. theta energy: -32.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 440
Temperature: 1.283333
Total energy: -193.374952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.374952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.374952 (E_RNA)
where:
Base-Base interactions energy: -113.705
where: short stacking energy: -65.864
Base-Backbone interact. energy: -0.567
local terms energy: -79.102767
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -23.727
flat angles C4'-P-C4' energy: -19.850
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -6.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 440
Temperature: 1.666667
Total energy: -85.647517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.647517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.647517 (E_RNA)
where:
Base-Base interactions energy: -36.783
where: short stacking energy: -14.352
Base-Backbone interact. energy: 1.406
local terms energy: -50.270669
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -5.673
tors. eta vs tors. theta energy: 11.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 440
Temperature: 2.050000
Total energy: -56.981871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.981871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.981871 (E_RNA)
where:
Base-Base interactions energy: -24.081
where: short stacking energy: -16.627
Base-Backbone interact. energy: -0.573
local terms energy: -32.327903
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -8.872
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: 14.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 440
Temperature: 2.433333
Total energy: -48.162240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.162240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.162240 (E_RNA)
where:
Base-Base interactions energy: -18.191
where: short stacking energy: -18.483
Base-Backbone interact. energy: -0.380
local terms energy: -29.591490
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -19.544
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: 13.549
tors. eta vs tors. theta energy: 8.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 440
Temperature: 2.816667
Total energy: -39.485846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.485846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.485846 (E_RNA)
where:
Base-Base interactions energy: -12.635
where: short stacking energy: -9.533
Base-Backbone interact. energy: 2.700
local terms energy: -29.551090
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -6.667
flat angles P-C4'-P energy: 2.159
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: 7, replica: 6
=====================================
Write number: 440
Temperature: 3.200000
Total energy: -25.243871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.243871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.243871 (E_RNA)
where:
Base-Base interactions energy: -5.198
where: short stacking energy: -3.612
Base-Backbone interact. energy: -0.238
local terms energy: -19.807426
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -7.778
flat angles C4'-P-C4' energy: -6.723
flat angles P-C4'-P energy: 0.296
tors. eta vs tors. theta energy: 14.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 440
Temperature: 3.583333
Total energy: -14.794317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.794317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.794317 (E_RNA)
where:
Base-Base interactions energy: -5.515
where: short stacking energy: -3.192
Base-Backbone interact. energy: 5.507
local terms energy: -14.786756
where:
bonds (distance) C4'-P energy: -8.133
bonds (distance) P-C4' energy: -9.039
flat angles C4'-P-C4' energy: -5.707
flat angles P-C4'-P energy: -2.460
tors. eta vs tors. theta energy: 10.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 440
Temperature: 3.966667
Total energy: -8.755847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.755847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.755847 (E_RNA)
where:
Base-Base interactions energy: -0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: 1.366
local terms energy: -10.121521
where:
bonds (distance) C4'-P energy: -8.842
bonds (distance) P-C4' energy: -11.509
flat angles C4'-P-C4' energy: -5.554
flat angles P-C4'-P energy: -0.201
tors. eta vs tors. theta energy: 15.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 440
Temperature: 4.350000
Total energy: 3.718329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 3.718329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 3.718329 (E_RNA)
where:
Base-Base interactions energy: -0.156
where: short stacking energy: -0.156
Base-Backbone interact. energy: 3.688
local terms energy: 0.186527
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: 5.639
flat angles P-C4'-P energy: 10.296
tors. eta vs tors. theta energy: 10.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -368.688959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.688959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.688959 (E_RNA)
where:
Base-Base interactions energy: -232.133
where: short stacking energy: -113.986
Base-Backbone interact. energy: 0.036
local terms energy: -136.592114
where:
bonds (distance) C4'-P energy: -25.815
bonds (distance) P-C4' energy: -29.247
flat angles C4'-P-C4' energy: -28.719
flat angles P-C4'-P energy: -19.191
tors. eta vs tors. theta energy: -33.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 1.283333
Total energy: -191.027456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.027456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.027456 (E_RNA)
where:
Base-Base interactions energy: -114.250
where: short stacking energy: -45.791
Base-Backbone interact. energy: -0.101
local terms energy: -76.675732
where:
bonds (distance) C4'-P energy: -19.137
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -6.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 441
Temperature: 1.666667
Total energy: -88.912872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.912872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.912872 (E_RNA)
where:
Base-Base interactions energy: -31.887
where: short stacking energy: -31.887
Base-Backbone interact. energy: 0.022
local terms energy: -57.047722
where:
bonds (distance) C4'-P energy: -19.472
bonds (distance) P-C4' energy: -17.447
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -8.514
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: 4, replica: 10
=====================================
Write number: 441
Temperature: 2.050000
Total energy: -77.986578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.986578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.986578 (E_RNA)
where:
Base-Base interactions energy: -32.055
where: short stacking energy: -22.214
Base-Backbone interact. energy: -1.643
local terms energy: -44.288961
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -19.413
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -3.669
tors. eta vs tors. theta energy: 1.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 441
Temperature: 2.433333
Total energy: -49.817441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.817441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.817441 (E_RNA)
where:
Base-Base interactions energy: -6.890
where: short stacking energy: -1.610
Base-Backbone interact. energy: 3.707
local terms energy: -46.634606
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -25.958
flat angles C4'-P-C4' energy: -4.594
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: 12.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 441
Temperature: 2.816667
Total energy: -29.126389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.126389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.126389 (E_RNA)
where:
Base-Base interactions energy: -3.753
where: short stacking energy: -3.753
Base-Backbone interact. energy: -0.234
local terms energy: -25.138795
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -9.733
flat angles P-C4'-P energy: -3.593
tors. eta vs tors. theta energy: 14.119
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: 4
=====================================
Write number: 441
Temperature: 3.200000
Total energy: -19.143507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.143507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.143507 (E_RNA)
where:
Base-Base interactions energy: -10.224
where: short stacking energy: -8.185
Base-Backbone interact. energy: 3.869
local terms energy: -12.788100
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -7.223
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: 2.278
tors. eta vs tors. theta energy: 21.227
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: 441
Temperature: 3.583333
Total energy: -24.213935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.213935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.213935 (E_RNA)
where:
Base-Base interactions energy: -10.038
where: short stacking energy: -3.277
Base-Backbone interact. energy: 2.013
local terms energy: -16.189278
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: 0.416
flat angles P-C4'-P energy: -1.056
tors. eta vs tors. theta energy: 9.368
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: 441
Temperature: 3.966667
Total energy: -19.645059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.645059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.645059 (E_RNA)
where:
Base-Base interactions energy: -10.306
where: short stacking energy: -7.949
Base-Backbone interact. energy: -0.348
local terms energy: -8.990654
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -6.423
flat angles C4'-P-C4' energy: -4.607
flat angles P-C4'-P energy: -1.572
tors. eta vs tors. theta energy: 16.627
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: 7
=====================================
Write number: 441
Temperature: 4.350000
Total energy: 3.493961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 3.493961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 3.493961 (E_RNA)
where:
Base-Base interactions energy: -4.655
where: short stacking energy: -1.863
Base-Backbone interact. energy: -0.755
local terms energy: 8.903507
where:
bonds (distance) C4'-P energy: -9.703
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: 5.293
flat angles P-C4'-P energy: 11.888
tors. eta vs tors. theta energy: 17.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -366.152461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.152461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.152461 (E_RNA)
where:
Base-Base interactions energy: -255.804
where: short stacking energy: -113.945
Base-Backbone interact. energy: -0.855
local terms energy: -109.494371
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -23.634
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -31.723
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: 2, replica: 2
=====================================
Write number: 442
Temperature: 1.283333
Total energy: -249.582651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.582651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.582651 (E_RNA)
where:
Base-Base interactions energy: -168.481
where: short stacking energy: -77.548
Base-Backbone interact. energy: 0.430
local terms energy: -81.532085
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -16.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 442
Temperature: 1.666667
Total energy: -94.009807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.009807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.009807 (E_RNA)
where:
Base-Base interactions energy: -24.392
where: short stacking energy: -22.083
Base-Backbone interact. energy: -0.616
local terms energy: -69.001330
where:
bonds (distance) C4'-P energy: -23.878
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: 4.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 442
Temperature: 2.050000
Total energy: -66.741216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.741216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.741216 (E_RNA)
where:
Base-Base interactions energy: -14.157
where: short stacking energy: -8.305
Base-Backbone interact. energy: -0.317
local terms energy: -52.267561
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: 2.888
tors. eta vs tors. theta energy: 4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 442
Temperature: 2.433333
Total energy: -47.338989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.338989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.338989 (E_RNA)
where:
Base-Base interactions energy: -7.998
where: short stacking energy: -7.181
Base-Backbone interact. energy: -0.776
local terms energy: -38.565068
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -18.307
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -3.799
tors. eta vs tors. theta energy: 11.014
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: 6
=====================================
Write number: 442
Temperature: 2.816667
Total energy: -40.441812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.441812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.441812 (E_RNA)
where:
Base-Base interactions energy: -8.364
where: short stacking energy: -7.316
Base-Backbone interact. energy: -0.145
local terms energy: -31.933108
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -3.032
tors. eta vs tors. theta energy: 20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 442
Temperature: 3.200000
Total energy: -32.058347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.058347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.058347 (E_RNA)
where:
Base-Base interactions energy: -10.986
where: short stacking energy: 0.619
Base-Backbone interact. energy: -0.423
local terms energy: -20.649884
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: 7.100
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: 12.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 442
Temperature: 3.583333
Total energy: -16.567582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.567582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.567582 (E_RNA)
where:
Base-Base interactions energy: -12.421
where: short stacking energy: -11.430
Base-Backbone interact. energy: 0.686
local terms energy: -4.832319
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -6.787
flat angles C4'-P-C4' energy: 8.848
flat angles P-C4'-P energy: -3.460
tors. eta vs tors. theta energy: 8.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 442
Temperature: 3.966667
Total energy: -8.105663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.105663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.105663 (E_RNA)
where:
Base-Base interactions energy: -1.894
where: short stacking energy: -1.928
Base-Backbone interact. energy: 2.388
local terms energy: -8.599073
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: 2.801
flat angles P-C4'-P energy: 3.372
tors. eta vs tors. theta energy: 16.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 442
Temperature: 4.350000
Total energy: -6.812621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.812621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.812621 (E_RNA)
where:
Base-Base interactions energy: -0.375
where: short stacking energy: 0.000
Base-Backbone interact. energy: 0.135
local terms energy: -6.572823
where:
bonds (distance) C4'-P energy: -5.422
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: 1.942
flat angles P-C4'-P energy: 0.225
tors. eta vs tors. theta energy: 18.033
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: 443
Temperature: 0.900000
Total energy: -366.131110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.131110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.131110 (E_RNA)
where:
Base-Base interactions energy: -247.788
where: short stacking energy: -110.880
Base-Backbone interact. energy: 1.404
local terms energy: -119.747615
where:
bonds (distance) C4'-P energy: -23.571
bonds (distance) P-C4' energy: -26.811
flat angles C4'-P-C4' energy: -25.357
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -28.787
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: 443
Temperature: 1.283333
Total energy: -261.114769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.114769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.114769 (E_RNA)
where:
Base-Base interactions energy: -174.387
where: short stacking energy: -77.167
Base-Backbone interact. energy: -0.365
local terms energy: -86.362520
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -14.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 443
Temperature: 1.666667
Total energy: -88.586817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.586817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.586817 (E_RNA)
where:
Base-Base interactions energy: -34.658
where: short stacking energy: -15.649
Base-Backbone interact. energy: -1.223
local terms energy: -52.705472
where:
bonds (distance) C4'-P energy: -21.478
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: 11.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 443
Temperature: 2.050000
Total energy: -75.138423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.138423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.138423 (E_RNA)
where:
Base-Base interactions energy: -21.034
where: short stacking energy: -11.326
Base-Backbone interact. energy: -0.640
local terms energy: -53.465115
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -25.713
flat angles C4'-P-C4' energy: -7.919
flat angles P-C4'-P energy: -4.209
tors. eta vs tors. theta energy: 4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 443
Temperature: 2.433333
Total energy: -43.332546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.332546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.332546 (E_RNA)
where:
Base-Base interactions energy: -17.151
where: short stacking energy: -14.071
Base-Backbone interact. energy: -0.477
local terms energy: -25.704201
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -8.994
flat angles C4'-P-C4' energy: -5.220
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: 14.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 443
Temperature: 2.816667
Total energy: -35.990437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.990437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.990437 (E_RNA)
where:
Base-Base interactions energy: -2.406
where: short stacking energy: -2.406
Base-Backbone interact. energy: 2.885
local terms energy: -36.469961
where:
bonds (distance) C4'-P energy: -9.749
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -3.443
tors. eta vs tors. theta energy: 10.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 443
Temperature: 3.200000
Total energy: -27.936222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.936222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.936222 (E_RNA)
where:
Base-Base interactions energy: -4.923
where: short stacking energy: -3.601
Base-Backbone interact. energy: 2.612
local terms energy: -25.625117
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -3.433
flat angles P-C4'-P energy: -4.256
tors. eta vs tors. theta energy: 14.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 443
Temperature: 3.583333
Total energy: -25.446258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.446258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.446258 (E_RNA)
where:
Base-Base interactions energy: -6.140
where: short stacking energy: -5.580
Base-Backbone interact. energy: 7.588
local terms energy: -26.894625
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -8.150
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: 15.529
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: 3
=====================================
Write number: 443
Temperature: 3.966667
Total energy: -15.986157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.986157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.986157 (E_RNA)
where:
Base-Base interactions energy: -2.331
where: short stacking energy: 0.093
Base-Backbone interact. energy: 2.625
local terms energy: -16.280367
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -20.444
flat angles C4'-P-C4' energy: 0.162
flat angles P-C4'-P energy: -1.312
tors. eta vs tors. theta energy: 15.829
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: 9
=====================================
Write number: 443
Temperature: 4.350000
Total energy: -10.691718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.691718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.691718 (E_RNA)
where:
Base-Base interactions energy: -2.307
where: short stacking energy: -2.644
Base-Backbone interact. energy: 0.217
local terms energy: -8.601775
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -0.469
flat angles P-C4'-P energy: -0.453
tors. eta vs tors. theta energy: 17.722
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: 1, replica: 1
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -370.890157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.890157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.890157 (E_RNA)
where:
Base-Base interactions energy: -246.908
where: short stacking energy: -114.781
Base-Backbone interact. energy: -0.002
local terms energy: -123.980194
where:
bonds (distance) C4'-P energy: -25.851
bonds (distance) P-C4' energy: -21.385
flat angles C4'-P-C4' energy: -28.913
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -30.145
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: 2
=====================================
Write number: 444
Temperature: 1.283333
Total energy: -270.127008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.127008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.127008 (E_RNA)
where:
Base-Base interactions energy: -181.209
where: short stacking energy: -77.446
Base-Backbone interact. energy: -0.275
local terms energy: -88.643545
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -22.727
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -12.192
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: 5
=====================================
Write number: 444
Temperature: 1.666667
Total energy: -84.355491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.355491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.355491 (E_RNA)
where:
Base-Base interactions energy: -18.464
where: short stacking energy: -15.552
Base-Backbone interact. energy: 0.214
local terms energy: -66.105887
where:
bonds (distance) C4'-P energy: -26.114
bonds (distance) P-C4' energy: -24.970
flat angles C4'-P-C4' energy: -7.868
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: 5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 444
Temperature: 2.050000
Total energy: -54.904634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.904634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.904634 (E_RNA)
where:
Base-Base interactions energy: -18.411
where: short stacking energy: -18.411
Base-Backbone interact. energy: -0.346
local terms energy: -36.148020
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -7.248
flat angles C4'-P-C4' energy: -4.548
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: 6.683
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: 4
=====================================
Write number: 444
Temperature: 2.433333
Total energy: -49.060906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.060906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.060906 (E_RNA)
where:
Base-Base interactions energy: -15.865
where: short stacking energy: -11.440
Base-Backbone interact. energy: -0.503
local terms energy: -32.692572
where:
bonds (distance) C4'-P energy: -9.075
bonds (distance) P-C4' energy: -22.135
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -1.708
tors. eta vs tors. theta energy: 16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 444
Temperature: 2.816667
Total energy: -38.607034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.607034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.607034 (E_RNA)
where:
Base-Base interactions energy: -10.306
where: short stacking energy: -2.257
Base-Backbone interact. energy: -0.364
local terms energy: -27.936962
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -8.455
flat angles P-C4'-P energy: -3.105
tors. eta vs tors. theta energy: 14.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 444
Temperature: 3.200000
Total energy: -30.272111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.272111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.272111 (E_RNA)
where:
Base-Base interactions energy: -14.942
where: short stacking energy: -14.942
Base-Backbone interact. energy: 0.659
local terms energy: -15.989085
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -10.002
flat angles C4'-P-C4' energy: 6.090
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: 10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 444
Temperature: 3.583333
Total energy: -13.467835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.467835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.467835 (E_RNA)
where:
Base-Base interactions energy: -8.181
where: short stacking energy: -7.775
Base-Backbone interact. energy: 0.876
local terms energy: -6.162821
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: 5.225
flat angles P-C4'-P energy: 4.693
tors. eta vs tors. theta energy: 13.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 444
Temperature: 3.966667
Total energy: -13.519301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.519301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.519301 (E_RNA)
where:
Base-Base interactions energy: -5.270
where: short stacking energy: 0.153
Base-Backbone interact. energy: 6.094
local terms energy: -14.344221
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -4.870
flat angles P-C4'-P energy: -1.499
tors. eta vs tors. theta energy: 16.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 444
Temperature: 4.350000
Total energy: 3.144600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 3.144600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 3.144600 (E_RNA)
where:
Base-Base interactions energy: -3.970
where: short stacking energy: -2.533
Base-Backbone interact. energy: 2.799
local terms energy: 4.315382
where:
bonds (distance) C4'-P energy: -7.428
bonds (distance) P-C4' energy: -8.389
flat angles C4'-P-C4' energy: 1.167
flat angles P-C4'-P energy: -1.039
tors. eta vs tors. theta energy: 20.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -361.126808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.126808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.126808 (E_RNA)
where:
Base-Base interactions energy: -241.210
where: short stacking energy: -117.550
Base-Backbone interact. energy: -0.118
local terms energy: -119.799074
where:
bonds (distance) C4'-P energy: -22.704
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -24.667
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -31.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 445
Temperature: 1.283333
Total energy: -240.124653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.124653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.124653 (E_RNA)
where:
Base-Base interactions energy: -157.316
where: short stacking energy: -76.684
Base-Backbone interact. energy: 1.264
local terms energy: -84.072431
where:
bonds (distance) C4'-P energy: -22.856
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -24.820
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -12.447
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: 5
=====================================
Write number: 445
Temperature: 1.666667
Total energy: -88.449633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.449633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.449633 (E_RNA)
where:
Base-Base interactions energy: -27.359
where: short stacking energy: -27.359
Base-Backbone interact. energy: -0.255
local terms energy: -60.835677
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -23.516
flat angles P-C4'-P energy: -4.544
tors. eta vs tors. theta energy: -0.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 445
Temperature: 2.050000
Total energy: -68.260400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.260400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.260400 (E_RNA)
where:
Base-Base interactions energy: -27.322
where: short stacking energy: -22.620
Base-Backbone interact. energy: 0.739
local terms energy: -41.677517
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -5.884
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: 2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 445
Temperature: 2.433333
Total energy: -43.338526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.338526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.338526 (E_RNA)
where:
Base-Base interactions energy: -3.960
where: short stacking energy: -3.678
Base-Backbone interact. energy: 1.768
local terms energy: -41.146310
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -3.702
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: 8.052
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: 7
=====================================
Write number: 445
Temperature: 2.816667
Total energy: -37.012179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.012179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.012179 (E_RNA)
where:
Base-Base interactions energy: -11.811
where: short stacking energy: -7.729
Base-Backbone interact. energy: 0.418
local terms energy: -25.618758
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -2.246
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: 7, replica: 8
=====================================
Write number: 445
Temperature: 3.200000
Total energy: -26.451231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.451231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.451231 (E_RNA)
where:
Base-Base interactions energy: -15.909
where: short stacking energy: -8.912
Base-Backbone interact. energy: 2.787
local terms energy: -13.329449
where:
bonds (distance) C4'-P energy: -4.618
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -6.044
flat angles P-C4'-P energy: 0.190
tors. eta vs tors. theta energy: 15.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 445
Temperature: 3.583333
Total energy: -16.092586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.092586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.092586 (E_RNA)
where:
Base-Base interactions energy: -6.605
where: short stacking energy: -6.605
Base-Backbone interact. energy: 4.047
local terms energy: -13.535001
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: 1.703
flat angles P-C4'-P energy: 8.781
tors. eta vs tors. theta energy: 11.607
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: 9
=====================================
Write number: 445
Temperature: 3.966667
Total energy: -7.896890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.896890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.896890 (E_RNA)
where:
Base-Base interactions energy: -0.227
where: short stacking energy: -2.527
Base-Backbone interact. energy: 5.071
local terms energy: -12.741151
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: 2.870
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: 4.341
tors. eta vs tors. theta energy: 8.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 445
Temperature: 4.350000
Total energy: -3.981813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.981813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.981813 (E_RNA)
where:
Base-Base interactions energy: -0.749
where: short stacking energy: -1.943
Base-Backbone interact. energy: 0.744
local terms energy: -3.976904
where:
bonds (distance) C4'-P energy: -1.808
bonds (distance) P-C4' energy: -3.514
flat angles C4'-P-C4' energy: -9.178
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: 16.431
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: 1, replica: 1
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -360.568379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.568379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.568379 (E_RNA)
where:
Base-Base interactions energy: -245.076
where: short stacking energy: -122.430
Base-Backbone interact. energy: -0.043
local terms energy: -115.449668
where:
bonds (distance) C4'-P energy: -24.802
bonds (distance) P-C4' energy: -26.229
flat angles C4'-P-C4' energy: -23.531
flat angles P-C4'-P energy: -15.440
tors. eta vs tors. theta energy: -25.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 446
Temperature: 1.283333
Total energy: -192.761444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.761444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.761444 (E_RNA)
where:
Base-Base interactions energy: -110.227
where: short stacking energy: -60.772
Base-Backbone interact. energy: -0.627
local terms energy: -81.907828
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -25.005
flat angles P-C4'-P energy: -18.139
tors. eta vs tors. theta energy: -8.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 446
Temperature: 1.666667
Total energy: -89.642317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.642317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.642317 (E_RNA)
where:
Base-Base interactions energy: -26.501
where: short stacking energy: -24.070
Base-Backbone interact. energy: 0.310
local terms energy: -63.450730
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: 11.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 446
Temperature: 2.050000
Total energy: -64.809845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.809845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.809845 (E_RNA)
where:
Base-Base interactions energy: -11.154
where: short stacking energy: -11.354
Base-Backbone interact. energy: 1.197
local terms energy: -54.853250
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -25.061
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: 10.893
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: 446
Temperature: 2.433333
Total energy: -49.394933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.394933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.394933 (E_RNA)
where:
Base-Base interactions energy: -7.249
where: short stacking energy: -6.407
Base-Backbone interact. energy: -0.459
local terms energy: -41.686462
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -6.054
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: 7.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 446
Temperature: 2.816667
Total energy: -31.199459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.199459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.199459 (E_RNA)
where:
Base-Base interactions energy: -14.498
where: short stacking energy: -12.227
Base-Backbone interact. energy: 8.718
local terms energy: -25.419050
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -8.846
flat angles P-C4'-P energy: 4.460
tors. eta vs tors. theta energy: 5.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 446
Temperature: 3.200000
Total energy: -19.207536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.207536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.207536 (E_RNA)
where:
Base-Base interactions energy: -8.063
where: short stacking energy: -7.750
Base-Backbone interact. energy: -0.682
local terms energy: -10.463144
where:
bonds (distance) C4'-P energy: -9.518
bonds (distance) P-C4' energy: -3.910
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -3.045
tors. eta vs tors. theta energy: 19.195
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: 8
=====================================
Write number: 446
Temperature: 3.583333
Total energy: -18.994229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.994229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.994229 (E_RNA)
where:
Base-Base interactions energy: -4.769
where: short stacking energy: -2.726
Base-Backbone interact. energy: 1.341
local terms energy: -15.566956
where:
bonds (distance) C4'-P energy: -1.410
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -9.431
flat angles P-C4'-P energy: -0.118
tors. eta vs tors. theta energy: 17.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 446
Temperature: 3.966667
Total energy: -9.557503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.557503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.557503 (E_RNA)
where:
Base-Base interactions energy: -9.281
where: short stacking energy: -7.339
Base-Backbone interact. energy: 0.498
local terms energy: -0.774106
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: 5.501
flat angles P-C4'-P energy: 9.387
tors. eta vs tors. theta energy: 11.337
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: 9
=====================================
Write number: 446
Temperature: 4.350000
Total energy: -1.742930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.742930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.742930 (E_RNA)
where:
Base-Base interactions energy: -2.298
where: short stacking energy: -0.005
Base-Backbone interact. energy: -0.477
local terms energy: 1.032003
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -1.050
flat angles C4'-P-C4' energy: 0.962
flat angles P-C4'-P energy: -0.037
tors. eta vs tors. theta energy: 12.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -357.133986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.133986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.133986 (E_RNA)
where:
Base-Base interactions energy: -233.393
where: short stacking energy: -106.009
Base-Backbone interact. energy: -0.034
local terms energy: -123.706341
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -25.996
flat angles C4'-P-C4' energy: -27.801
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -28.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 447
Temperature: 1.283333
Total energy: -193.353509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.353509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.353509 (E_RNA)
where:
Base-Base interactions energy: -106.682
where: short stacking energy: -56.217
Base-Backbone interact. energy: -0.196
local terms energy: -86.476040
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -22.181
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -17.922
tors. eta vs tors. theta energy: -4.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 447
Temperature: 1.666667
Total energy: -86.611090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.611090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.611090 (E_RNA)
where:
Base-Base interactions energy: -27.255
where: short stacking energy: -11.827
Base-Backbone interact. energy: 2.380
local terms energy: -61.735376
where:
bonds (distance) C4'-P energy: -24.268
bonds (distance) P-C4' energy: -24.365
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: 15.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 447
Temperature: 2.050000
Total energy: -66.591712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.591712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.591712 (E_RNA)
where:
Base-Base interactions energy: -25.605
where: short stacking energy: -14.285
Base-Backbone interact. energy: -0.891
local terms energy: -40.095520
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -21.037
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -0.597
tors. eta vs tors. theta energy: 12.640
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: 4
=====================================
Write number: 447
Temperature: 2.433333
Total energy: -52.190682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.190682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.190682 (E_RNA)
where:
Base-Base interactions energy: -8.039
where: short stacking energy: -9.168
Base-Backbone interact. energy: -1.123
local terms energy: -43.028897
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -1.817
tors. eta vs tors. theta energy: 14.065
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: 6
=====================================
Write number: 447
Temperature: 2.816667
Total energy: -28.440184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.440184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.440184 (E_RNA)
where:
Base-Base interactions energy: -15.498
where: short stacking energy: -7.157
Base-Backbone interact. energy: -0.473
local terms energy: -12.468593
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: 2.035
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: 14.500
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: 7
=====================================
Write number: 447
Temperature: 3.200000
Total energy: -24.830885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.830885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.830885 (E_RNA)
where:
Base-Base interactions energy: -15.961
where: short stacking energy: -10.013
Base-Backbone interact. energy: -1.361
local terms energy: -7.508703
where:
bonds (distance) C4'-P energy: -9.393
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: 0.589
flat angles P-C4'-P energy: -2.303
tors. eta vs tors. theta energy: 19.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 447
Temperature: 3.583333
Total energy: -16.020834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.020834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.020834 (E_RNA)
where:
Base-Base interactions energy: -9.425
where: short stacking energy: -4.395
Base-Backbone interact. energy: 0.985
local terms energy: -7.581140
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -5.971
flat angles P-C4'-P energy: 7.287
tors. eta vs tors. theta energy: 13.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 447
Temperature: 3.966667
Total energy: -9.844288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.844288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.844288 (E_RNA)
where:
Base-Base interactions energy: -2.344
where: short stacking energy: -2.123
Base-Backbone interact. energy: 8.657
local terms energy: -16.156547
where:
bonds (distance) C4'-P energy: -18.735
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -3.184
flat angles P-C4'-P energy: 3.788
tors. eta vs tors. theta energy: 14.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 447
Temperature: 4.350000
Total energy: -14.958988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.958988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.958988 (E_RNA)
where:
Base-Base interactions energy: 0.500
where: short stacking energy: 0.500
Base-Backbone interact. energy: -0.929
local terms energy: -14.529787
where:
bonds (distance) C4'-P energy: -4.955
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -8.038
flat angles P-C4'-P energy: 5.530
tors. eta vs tors. theta energy: 10.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -382.228771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.228771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.228771 (E_RNA)
where:
Base-Base interactions energy: -251.479
where: short stacking energy: -117.694
Base-Backbone interact. energy: -0.652
local terms energy: -130.097397
where:
bonds (distance) C4'-P energy: -26.504
bonds (distance) P-C4' energy: -25.288
flat angles C4'-P-C4' energy: -28.309
flat angles P-C4'-P energy: -18.864
tors. eta vs tors. theta energy: -31.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 448
Temperature: 1.283333
Total energy: -194.708739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.708739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.708739 (E_RNA)
where:
Base-Base interactions energy: -110.707
where: short stacking energy: -61.047
Base-Backbone interact. energy: -0.483
local terms energy: -83.519020
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -24.433
flat angles C4'-P-C4' energy: -27.242
flat angles P-C4'-P energy: -4.109
tors. eta vs tors. theta energy: -8.806
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: 3, replica: 10
=====================================
Write number: 448
Temperature: 1.666667
Total energy: -82.980426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.980426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.980426 (E_RNA)
where:
Base-Base interactions energy: -21.917
where: short stacking energy: -21.917
Base-Backbone interact. energy: -0.097
local terms energy: -60.966664
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: 2.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 448
Temperature: 2.050000
Total energy: -63.633419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.633419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.633419 (E_RNA)
where:
Base-Base interactions energy: -12.006
where: short stacking energy: -11.623
Base-Backbone interact. energy: -0.327
local terms energy: -51.300196
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -26.286
flat angles C4'-P-C4' energy: -7.969
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: 6.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 448
Temperature: 2.433333
Total energy: -48.546155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.546155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.546155 (E_RNA)
where:
Base-Base interactions energy: -8.294
where: short stacking energy: -4.826
Base-Backbone interact. energy: 0.750
local terms energy: -41.001700
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -5.035
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: 11.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 448
Temperature: 2.816667
Total energy: -39.338794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.338794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.338794 (E_RNA)
where:
Base-Base interactions energy: -12.442
where: short stacking energy: -11.561
Base-Backbone interact. energy: -0.733
local terms energy: -26.164522
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: 6.624
tors. eta vs tors. theta energy: 12.540
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: 7, replica: 3
=====================================
Write number: 448
Temperature: 3.200000
Total energy: -24.506601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.506601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.506601 (E_RNA)
where:
Base-Base interactions energy: -5.366
where: short stacking energy: -1.846
Base-Backbone interact. energy: 2.381
local terms energy: -21.521748
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -4.342
flat angles P-C4'-P energy: -0.875
tors. eta vs tors. theta energy: 12.238
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: 8, replica: 7
=====================================
Write number: 448
Temperature: 3.583333
Total energy: -20.224326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.224326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.224326 (E_RNA)
where:
Base-Base interactions energy: -13.761
where: short stacking energy: -12.417
Base-Backbone interact. energy: 3.788
local terms energy: -10.251575
where:
bonds (distance) C4'-P energy: -8.987
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: 1.113
flat angles P-C4'-P energy: -3.587
tors. eta vs tors. theta energy: 11.704
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: 9, replica: 8
=====================================
Write number: 448
Temperature: 3.966667
Total energy: -5.261951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.261951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.261951 (E_RNA)
where:
Base-Base interactions energy: -3.426
where: short stacking energy: -2.157
Base-Backbone interact. energy: 1.893
local terms energy: -3.729464
where:
bonds (distance) C4'-P energy: -8.813
bonds (distance) P-C4' energy: -6.059
flat angles C4'-P-C4' energy: -7.659
flat angles P-C4'-P energy: -0.985
tors. eta vs tors. theta energy: 19.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 4.350000
Total energy: -2.524554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.524554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.524554 (E_RNA)
where:
Base-Base interactions energy: -4.098
where: short stacking energy: -2.222
Base-Backbone interact. energy: 0.152
local terms energy: 1.421136
where:
bonds (distance) C4'-P energy: -8.621
bonds (distance) P-C4' energy: -0.078
flat angles C4'-P-C4' energy: -8.717
flat angles P-C4'-P energy: -0.416
tors. eta vs tors. theta energy: 19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -376.947966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.947966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.947966 (E_RNA)
where:
Base-Base interactions energy: -247.464
where: short stacking energy: -116.281
Base-Backbone interact. energy: -0.020
local terms energy: -129.463669
where:
bonds (distance) C4'-P energy: -25.014
bonds (distance) P-C4' energy: -26.630
flat angles C4'-P-C4' energy: -25.687
flat angles P-C4'-P energy: -20.207
tors. eta vs tors. theta energy: -31.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 1.283333
Total energy: -221.713226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.713226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.713226 (E_RNA)
where:
Base-Base interactions energy: -140.342
where: short stacking energy: -63.486
Base-Backbone interact. energy: -0.088
local terms energy: -81.283385
where:
bonds (distance) C4'-P energy: -20.775
bonds (distance) P-C4' energy: -20.378
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -8.493
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: 10
=====================================
Write number: 449
Temperature: 1.666667
Total energy: -88.831834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.831834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.831834 (E_RNA)
where:
Base-Base interactions energy: -29.074
where: short stacking energy: -20.577
Base-Backbone interact. energy: 0.851
local terms energy: -60.608736
where:
bonds (distance) C4'-P energy: -19.364
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -20.795
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: 4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 449
Temperature: 2.050000
Total energy: -59.706535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.706535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.706535 (E_RNA)
where:
Base-Base interactions energy: -13.810
where: short stacking energy: -4.625
Base-Backbone interact. energy: -0.446
local terms energy: -45.450775
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -20.804
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: 12.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 449
Temperature: 2.433333
Total energy: -42.298498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.298498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.298498 (E_RNA)
where:
Base-Base interactions energy: -13.522
where: short stacking energy: -8.734
Base-Backbone interact. energy: -0.294
local terms energy: -28.483450
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -4.804
flat angles P-C4'-P energy: -2.894
tors. eta vs tors. theta energy: 8.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 449
Temperature: 2.816667
Total energy: -34.781476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.781476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.781476 (E_RNA)
where:
Base-Base interactions energy: -2.846
where: short stacking energy: 0.763
Base-Backbone interact. energy: -0.914
local terms energy: -31.021970
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: 4.547
tors. eta vs tors. theta energy: 14.627
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: 3
=====================================
Write number: 449
Temperature: 3.200000
Total energy: -26.883522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.883522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.883522 (E_RNA)
where:
Base-Base interactions energy: -4.622
where: short stacking energy: -4.587
Base-Backbone interact. energy: 4.224
local terms energy: -26.485187
where:
bonds (distance) C4'-P energy: -9.095
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -4.884
tors. eta vs tors. theta energy: 13.291
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: 8, replica: 7
=====================================
Write number: 449
Temperature: 3.583333
Total energy: -24.741627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.741627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.741627 (E_RNA)
where:
Base-Base interactions energy: -5.015
where: short stacking energy: -0.356
Base-Backbone interact. energy: 0.325
local terms energy: -20.051883
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -6.351
flat angles P-C4'-P energy: 12.401
tors. eta vs tors. theta energy: 14.641
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: 8
=====================================
Write number: 449
Temperature: 3.966667
Total energy: -13.316194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.316194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.316194 (E_RNA)
where:
Base-Base interactions energy: -7.678
where: short stacking energy: -5.474
Base-Backbone interact. energy: -0.639
local terms energy: -4.998822
where:
bonds (distance) C4'-P energy: -6.256
bonds (distance) P-C4' energy: -9.873
flat angles C4'-P-C4' energy: -0.656
flat angles P-C4'-P energy: -1.946
tors. eta vs tors. theta energy: 13.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 4.350000
Total energy: 0.559596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 0.559596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 0.559596 (E_RNA)
where:
Base-Base interactions energy: -8.256
where: short stacking energy: -7.204
Base-Backbone interact. energy: 5.165
local terms energy: 3.650564
where:
bonds (distance) C4'-P energy: -8.629
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -2.102
flat angles P-C4'-P energy: 11.471
tors. eta vs tors. theta energy: 16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -383.030053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.030053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.030053 (E_RNA)
where:
Base-Base interactions energy: -255.633
where: short stacking energy: -120.590
Base-Backbone interact. energy: -0.138
local terms energy: -127.258922
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -22.924
flat angles C4'-P-C4' energy: -27.105
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -33.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 1.283333
Total energy: -241.171107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.171107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.171107 (E_RNA)
where:
Base-Base interactions energy: -153.251
where: short stacking energy: -65.978
Base-Backbone interact. energy: -0.616
local terms energy: -87.304371
where:
bonds (distance) C4'-P energy: -23.829
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 450
Temperature: 1.666667
Total energy: -80.981508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.981508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.981508 (E_RNA)
where:
Base-Base interactions energy: -28.881
where: short stacking energy: -21.058
Base-Backbone interact. energy: 2.043
local terms energy: -54.143927
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: 7.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 450
Temperature: 2.050000
Total energy: -63.427129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.427129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.427129 (E_RNA)
where:
Base-Base interactions energy: -24.108
where: short stacking energy: -18.643
Base-Backbone interact. energy: -0.826
local terms energy: -38.492967
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -1.725
tors. eta vs tors. theta energy: 4.737
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: 4
=====================================
Write number: 450
Temperature: 2.433333
Total energy: -50.895628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.895628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.895628 (E_RNA)
where:
Base-Base interactions energy: -7.171
where: short stacking energy: -7.171
Base-Backbone interact. energy: -0.427
local terms energy: -43.297746
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -24.745
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -1.514
tors. eta vs tors. theta energy: 15.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 450
Temperature: 2.816667
Total energy: -40.166695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.166695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.166695 (E_RNA)
where:
Base-Base interactions energy: -10.346
where: short stacking energy: -5.941
Base-Backbone interact. energy: -0.422
local terms energy: -29.398609
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -6.441
flat angles P-C4'-P energy: 0.704
tors. eta vs tors. theta energy: 8.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 450
Temperature: 3.200000
Total energy: -23.956185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.956185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.956185 (E_RNA)
where:
Base-Base interactions energy: -4.207
where: short stacking energy: -4.207
Base-Backbone interact. energy: 1.912
local terms energy: -21.660501
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -2.092
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: 11.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 450
Temperature: 3.583333
Total energy: -21.617061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.617061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.617061 (E_RNA)
where:
Base-Base interactions energy: -10.943
where: short stacking energy: -7.785
Base-Backbone interact. energy: 5.666
local terms energy: -16.339917
where:
bonds (distance) C4'-P energy: -19.210
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -3.807
flat angles P-C4'-P energy: 1.342
tors. eta vs tors. theta energy: 18.485
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: 9
=====================================
Write number: 450
Temperature: 3.966667
Total energy: -2.377773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.377773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.377773 (E_RNA)
where:
Base-Base interactions energy: -4.053
where: short stacking energy: -2.948
Base-Backbone interact. energy: 6.378
local terms energy: -4.703056
where:
bonds (distance) C4'-P energy: -7.887
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: 8.316
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: 15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 450
Temperature: 4.350000
Total energy: 5.051124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 5.051124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 5.051124 (E_RNA)
where:
Base-Base interactions energy: -3.745
where: short stacking energy: -0.275
Base-Backbone interact. energy: 3.429
local terms energy: 5.366973
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -8.351
flat angles C4'-P-C4' energy: 4.655
flat angles P-C4'-P energy: 7.621
tors. eta vs tors. theta energy: 16.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -385.197897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.197897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.197897 (E_RNA)
where:
Base-Base interactions energy: -248.979
where: short stacking energy: -122.970
Base-Backbone interact. energy: -0.354
local terms energy: -135.865223
where:
bonds (distance) C4'-P energy: -27.879
bonds (distance) P-C4' energy: -27.597
flat angles C4'-P-C4' energy: -30.022
flat angles P-C4'-P energy: -15.734
tors. eta vs tors. theta energy: -34.633
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: 2
=====================================
Write number: 451
Temperature: 1.283333
Total energy: -233.343393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.343393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.343393 (E_RNA)
where:
Base-Base interactions energy: -145.828
where: short stacking energy: -76.195
Base-Backbone interact. energy: -1.055
local terms energy: -86.459457
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -26.982
flat angles C4'-P-C4' energy: -23.667
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 451
Temperature: 1.666667
Total energy: -89.536531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.536531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.536531 (E_RNA)
where:
Base-Base interactions energy: -27.418
where: short stacking energy: -21.145
Base-Backbone interact. energy: 0.085
local terms energy: -62.203692
where:
bonds (distance) C4'-P energy: -24.204
bonds (distance) P-C4' energy: -24.939
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: 10.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 451
Temperature: 2.050000
Total energy: -68.132353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.132353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.132353 (E_RNA)
where:
Base-Base interactions energy: -23.240
where: short stacking energy: -15.757
Base-Backbone interact. energy: -0.441
local terms energy: -44.451740
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -5.039
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: 10.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 451
Temperature: 2.433333
Total energy: -46.247147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.247147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.247147 (E_RNA)
where:
Base-Base interactions energy: -7.321
where: short stacking energy: -5.452
Base-Backbone interact. energy: -0.192
local terms energy: -38.733951
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -1.186
tors. eta vs tors. theta energy: 9.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 451
Temperature: 2.816667
Total energy: -35.074498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.074498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.074498 (E_RNA)
where:
Base-Base interactions energy: -6.889
where: short stacking energy: -1.637
Base-Backbone interact. energy: 1.718
local terms energy: -29.903783
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -8.233
flat angles P-C4'-P energy: 0.267
tors. eta vs tors. theta energy: 13.385
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: 451
Temperature: 3.200000
Total energy: -19.315030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.315030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.315030 (E_RNA)
where:
Base-Base interactions energy: -10.587
where: short stacking energy: -10.287
Base-Backbone interact. energy: 0.130
local terms energy: -8.857909
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -4.709
flat angles P-C4'-P energy: 3.585
tors. eta vs tors. theta energy: 18.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 451
Temperature: 3.583333
Total energy: -12.152761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.152761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.152761 (E_RNA)
where:
Base-Base interactions energy: -8.970
where: short stacking energy: -6.611
Base-Backbone interact. energy: 0.306
local terms energy: -3.489222
where:
bonds (distance) C4'-P energy: -6.363
bonds (distance) P-C4' energy: -7.420
flat angles C4'-P-C4' energy: -5.204
flat angles P-C4'-P energy: -2.253
tors. eta vs tors. theta energy: 17.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 451
Temperature: 3.966667
Total energy: -4.800997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.800997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.800997 (E_RNA)
where:
Base-Base interactions energy: -6.889
where: short stacking energy: -0.344
Base-Backbone interact. energy: -0.067
local terms energy: 2.155765
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -7.634
flat angles C4'-P-C4' energy: 5.730
flat angles P-C4'-P energy: 4.129
tors. eta vs tors. theta energy: 12.319
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: 8
=====================================
Write number: 451
Temperature: 4.350000
Total energy: -6.779639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.779639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.779639 (E_RNA)
where:
Base-Base interactions energy: -4.102
where: short stacking energy: -2.728
Base-Backbone interact. energy: -0.193
local terms energy: -2.484711
where:
bonds (distance) C4'-P energy: -7.944
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -5.325
flat angles P-C4'-P energy: 9.207
tors. eta vs tors. theta energy: 13.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -379.976017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.976017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.976017 (E_RNA)
where:
Base-Base interactions energy: -254.549
where: short stacking energy: -126.837
Base-Backbone interact. energy: -0.066
local terms energy: -125.361021
where:
bonds (distance) C4'-P energy: -24.549
bonds (distance) P-C4' energy: -24.648
flat angles C4'-P-C4' energy: -27.554
flat angles P-C4'-P energy: -18.272
tors. eta vs tors. theta energy: -30.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 1.283333
Total energy: -266.245907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.245907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.245907 (E_RNA)
where:
Base-Base interactions energy: -184.965
where: short stacking energy: -85.185
Base-Backbone interact. energy: 0.368
local terms energy: -81.648266
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -23.666
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -12.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 452
Temperature: 1.666667
Total energy: -81.439601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.439601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.439601 (E_RNA)
where:
Base-Base interactions energy: -28.727
where: short stacking energy: -27.465
Base-Backbone interact. energy: 1.037
local terms energy: -53.748860
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -23.083
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -7.637
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: 4, replica: 5
=====================================
Write number: 452
Temperature: 2.050000
Total energy: -64.576380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.576380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.576380 (E_RNA)
where:
Base-Base interactions energy: -12.360
where: short stacking energy: -10.969
Base-Backbone interact. energy: -0.356
local terms energy: -51.859930
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -20.226
flat angles C4'-P-C4' energy: -6.927
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: 6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 452
Temperature: 2.433333
Total energy: -50.381527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.381527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.381527 (E_RNA)
where:
Base-Base interactions energy: -12.210
where: short stacking energy: -5.731
Base-Backbone interact. energy: -0.637
local terms energy: -37.533880
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: 11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 452
Temperature: 2.816667
Total energy: -44.242266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.242266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.242266 (E_RNA)
where:
Base-Base interactions energy: -7.233
where: short stacking energy: -6.494
Base-Backbone interact. energy: 0.620
local terms energy: -37.629116
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: 4.882
tors. eta vs tors. theta energy: 10.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 452
Temperature: 3.200000
Total energy: -33.274933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.274933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.274933 (E_RNA)
where:
Base-Base interactions energy: -3.428
where: short stacking energy: -1.670
Base-Backbone interact. energy: 1.243
local terms energy: -31.089622
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -7.991
flat angles P-C4'-P energy: -1.328
tors. eta vs tors. theta energy: 12.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 3.583333
Total energy: -10.090957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.090957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.090957 (E_RNA)
where:
Base-Base interactions energy: -9.513
where: short stacking energy: -3.545
Base-Backbone interact. energy: -0.643
local terms energy: 0.065154
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -4.566
flat angles C4'-P-C4' energy: 13.560
flat angles P-C4'-P energy: -2.418
tors. eta vs tors. theta energy: 6.560
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: 9
=====================================
Write number: 452
Temperature: 3.966667
Total energy: -11.193211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.193211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.193211 (E_RNA)
where:
Base-Base interactions energy: -1.393
where: short stacking energy: -1.019
Base-Backbone interact. energy: 4.098
local terms energy: -13.897741
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -19.057
flat angles C4'-P-C4' energy: -2.784
flat angles P-C4'-P energy: 5.543
tors. eta vs tors. theta energy: 16.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 452
Temperature: 4.350000
Total energy: -18.229870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.229870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.229870 (E_RNA)
where:
Base-Base interactions energy: -9.474
where: short stacking energy: -9.474
Base-Backbone interact. energy: 2.043
local terms energy: -10.798381
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -7.596
flat angles C4'-P-C4' energy: 4.806
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: 12.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -376.991511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.991511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.991511 (E_RNA)
where:
Base-Base interactions energy: -253.310
where: short stacking energy: -125.711
Base-Backbone interact. energy: -0.003
local terms energy: -123.677942
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -24.863
flat angles C4'-P-C4' energy: -24.024
flat angles P-C4'-P energy: -17.706
tors. eta vs tors. theta energy: -32.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 453
Temperature: 1.283333
Total energy: -252.969007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.969007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.969007 (E_RNA)
where:
Base-Base interactions energy: -157.064
where: short stacking energy: -72.216
Base-Backbone interact. energy: -1.166
local terms energy: -94.739779
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -27.032
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 453
Temperature: 1.666667
Total energy: -94.498420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.498420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.498420 (E_RNA)
where:
Base-Base interactions energy: -26.200
where: short stacking energy: -26.200
Base-Backbone interact. energy: 0.683
local terms energy: -68.980845
where:
bonds (distance) C4'-P energy: -23.568
bonds (distance) P-C4' energy: -24.290
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: 2.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 453
Temperature: 2.050000
Total energy: -65.139487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.139487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.139487 (E_RNA)
where:
Base-Base interactions energy: -16.593
where: short stacking energy: -15.690
Base-Backbone interact. energy: -0.056
local terms energy: -48.490940
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -9.553
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: 6.799
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: 5, replica: 4
=====================================
Write number: 453
Temperature: 2.433333
Total energy: -46.361536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.361536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.361536 (E_RNA)
where:
Base-Base interactions energy: -9.994
where: short stacking energy: -8.682
Base-Backbone interact. energy: 2.049
local terms energy: -38.417235
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -4.924
flat angles P-C4'-P energy: -15.484
tors. eta vs tors. theta energy: 13.530
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: 6, replica: 3
=====================================
Write number: 453
Temperature: 2.816667
Total energy: -39.374872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -39.374872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -39.374872 (E_RNA)
where:
Base-Base interactions energy: -14.777
where: short stacking energy: -14.437
Base-Backbone interact. energy: 0.480
local terms energy: -25.077726
where:
bonds (distance) C4'-P energy: -5.807
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -4.481
tors. eta vs tors. theta energy: 13.394
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: 7, replica: 7
=====================================
Write number: 453
Temperature: 3.200000
Total energy: -33.978113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.978113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.978113 (E_RNA)
where:
Base-Base interactions energy: -8.016
where: short stacking energy: -6.449
Base-Backbone interact. energy: 1.008
local terms energy: -26.970693
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -0.145
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: 11.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 453
Temperature: 3.583333
Total energy: -20.735096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.735096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.735096 (E_RNA)
where:
Base-Base interactions energy: -15.194
where: short stacking energy: -9.401
Base-Backbone interact. energy: 3.147
local terms energy: -8.688338
where:
bonds (distance) C4'-P energy: -7.754
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: 9.599
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: 8.563
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: 9
=====================================
Write number: 453
Temperature: 3.966667
Total energy: -9.460612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.460612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.460612 (E_RNA)
where:
Base-Base interactions energy: -4.094
where: short stacking energy: -8.194
Base-Backbone interact. energy: 6.413
local terms energy: -11.780032
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: 1.653
flat angles P-C4'-P energy: -0.199
tors. eta vs tors. theta energy: 11.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 453
Temperature: 4.350000
Total energy: 3.464370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 3.464370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 3.464370 (E_RNA)
where:
Base-Base interactions energy: -2.476
where: short stacking energy: 4.997
Base-Backbone interact. energy: 3.629
local terms energy: 2.311305
where:
bonds (distance) C4'-P energy: -6.605
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -6.714
flat angles P-C4'-P energy: 13.229
tors. eta vs tors. theta energy: 17.608
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: 1
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -383.177630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.177630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.177630 (E_RNA)
where:
Base-Base interactions energy: -252.143
where: short stacking energy: -112.756
Base-Backbone interact. energy: -1.106
local terms energy: -129.928816
where:
bonds (distance) C4'-P energy: -27.813
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -28.400
flat angles P-C4'-P energy: -18.787
tors. eta vs tors. theta energy: -31.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 1.283333
Total energy: -204.470818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.470818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.470818 (E_RNA)
where:
Base-Base interactions energy: -131.149
where: short stacking energy: -64.643
Base-Backbone interact. energy: -0.895
local terms energy: -72.426631
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -3.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 454
Temperature: 1.666667
Total energy: -88.026619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.026619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.026619 (E_RNA)
where:
Base-Base interactions energy: -24.956
where: short stacking energy: -24.956
Base-Backbone interact. energy: -1.668
local terms energy: -61.402599
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -2.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 454
Temperature: 2.050000
Total energy: -61.349551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.349551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.349551 (E_RNA)
where:
Base-Base interactions energy: -22.146
where: short stacking energy: -15.217
Base-Backbone interact. energy: -0.412
local terms energy: -38.791428
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -20.904
flat angles P-C4'-P energy: 3.804
tors. eta vs tors. theta energy: 14.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 454
Temperature: 2.433333
Total energy: -43.834168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.834168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.834168 (E_RNA)
where:
Base-Base interactions energy: -1.550
where: short stacking energy: -1.421
Base-Backbone interact. energy: -1.218
local terms energy: -41.066222
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -3.952
tors. eta vs tors. theta energy: 12.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 454
Temperature: 2.816667
Total energy: -37.204078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.204078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.204078 (E_RNA)
where:
Base-Base interactions energy: -4.881
where: short stacking energy: -4.538
Base-Backbone interact. energy: 0.001
local terms energy: -32.324596
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -7.727
flat angles P-C4'-P energy: -5.431
tors. eta vs tors. theta energy: 12.215
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: 6
=====================================
Write number: 454
Temperature: 3.200000
Total energy: -26.453084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.453084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.453084 (E_RNA)
where:
Base-Base interactions energy: -11.105
where: short stacking energy: -11.046
Base-Backbone interact. energy: 1.270
local terms energy: -16.618430
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -3.335
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: 16.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 454
Temperature: 3.583333
Total energy: -12.810392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.810392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.810392 (E_RNA)
where:
Base-Base interactions energy: -9.518
where: short stacking energy: -3.274
Base-Backbone interact. energy: 7.022
local terms energy: -10.314292
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: 1.576
flat angles P-C4'-P energy: 3.602
tors. eta vs tors. theta energy: 16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 3.966667
Total energy: -12.551135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.551135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.551135 (E_RNA)
where:
Base-Base interactions energy: -3.711
where: short stacking energy: -3.711
Base-Backbone interact. energy: 0.668
local terms energy: -9.507951
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: 1.186
flat angles P-C4'-P energy: 1.906
tors. eta vs tors. theta energy: 17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 4.350000
Total energy: -6.508357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.508357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.508357 (E_RNA)
where:
Base-Base interactions energy: 2.644
where: short stacking energy: 0.000
Base-Backbone interact. energy: 1.731
local terms energy: -10.883544
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -17.898
flat angles C4'-P-C4' energy: 3.486
flat angles P-C4'-P energy: 4.064
tors. eta vs tors. theta energy: 13.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -378.694998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.694998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.694998 (E_RNA)
where:
Base-Base interactions energy: -253.016
where: short stacking energy: -125.937
Base-Backbone interact. energy: 2.612
local terms energy: -128.291239
where:
bonds (distance) C4'-P energy: -25.092
bonds (distance) P-C4' energy: -28.661
flat angles C4'-P-C4' energy: -23.971
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -34.672
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: 2
=====================================
Write number: 455
Temperature: 1.283333
Total energy: -193.890638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.890638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.890638 (E_RNA)
where:
Base-Base interactions energy: -114.770
where: short stacking energy: -65.612
Base-Backbone interact. energy: -0.388
local terms energy: -78.732012
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -21.600
flat angles C4'-P-C4' energy: -21.594
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -9.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 455
Temperature: 1.666667
Total energy: -101.443561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.443561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.443561 (E_RNA)
where:
Base-Base interactions energy: -28.187
where: short stacking energy: -28.187
Base-Backbone interact. energy: -0.741
local terms energy: -72.515831
where:
bonds (distance) C4'-P energy: -24.485
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -23.312
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: 5.041
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: 5
=====================================
Write number: 455
Temperature: 2.050000
Total energy: -57.049200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.049200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.049200 (E_RNA)
where:
Base-Base interactions energy: -22.059
where: short stacking energy: -13.264
Base-Backbone interact. energy: -0.330
local terms energy: -34.660253
where:
bonds (distance) C4'-P energy: -7.766
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -7.016
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: 5, replica: 3
=====================================
Write number: 455
Temperature: 2.433333
Total energy: -45.312161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.312161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.312161 (E_RNA)
where:
Base-Base interactions energy: -21.406
where: short stacking energy: -20.900
Base-Backbone interact. energy: 0.317
local terms energy: -24.222534
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -1.396
flat angles P-C4'-P energy: -3.178
tors. eta vs tors. theta energy: 10.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 2.816667
Total energy: -35.358137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.358137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.358137 (E_RNA)
where:
Base-Base interactions energy: -5.711
where: short stacking energy: -1.674
Base-Backbone interact. energy: -0.032
local terms energy: -29.615491
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -0.810
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: 11.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 455
Temperature: 3.200000
Total energy: -24.604840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.604840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.604840 (E_RNA)
where:
Base-Base interactions energy: -8.929
where: short stacking energy: -8.929
Base-Backbone interact. energy: -0.719
local terms energy: -14.956556
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -0.774
flat angles P-C4'-P energy: -1.514
tors. eta vs tors. theta energy: 18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 455
Temperature: 3.583333
Total energy: -12.500768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.500768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.500768 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: 2.033
local terms energy: -14.533949
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -0.743
flat angles P-C4'-P energy: -4.181
tors. eta vs tors. theta energy: 12.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 455
Temperature: 3.966667
Total energy: -18.165610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.165610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.165610 (E_RNA)
where:
Base-Base interactions energy: -3.319
where: short stacking energy: -2.846
Base-Backbone interact. energy: -0.699
local terms energy: -14.147134
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: 6.983
flat angles P-C4'-P energy: -4.727
tors. eta vs tors. theta energy: 16.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 4.350000
Total energy: -11.705350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.705350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.705350 (E_RNA)
where:
Base-Base interactions energy: -7.150
where: short stacking energy: -1.573
Base-Backbone interact. energy: 1.124
local terms energy: -5.679390
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: 2.792
flat angles P-C4'-P energy: -4.157
tors. eta vs tors. theta energy: 14.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -388.315119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.315119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.315119 (E_RNA)
where:
Base-Base interactions energy: -258.403
where: short stacking energy: -121.084
Base-Backbone interact. energy: -0.016
local terms energy: -129.895278
where:
bonds (distance) C4'-P energy: -26.027
bonds (distance) P-C4' energy: -27.884
flat angles C4'-P-C4' energy: -23.720
flat angles P-C4'-P energy: -18.502
tors. eta vs tors. theta energy: -33.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 456
Temperature: 1.283333
Total energy: -199.241468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.241468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.241468 (E_RNA)
where:
Base-Base interactions energy: -122.512
where: short stacking energy: -59.323
Base-Backbone interact. energy: 0.705
local terms energy: -77.435114
where:
bonds (distance) C4'-P energy: -24.904
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -8.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 456
Temperature: 1.666667
Total energy: -89.764629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.764629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.764629 (E_RNA)
where:
Base-Base interactions energy: -36.759
where: short stacking energy: -22.232
Base-Backbone interact. energy: 0.450
local terms energy: -53.455284
where:
bonds (distance) C4'-P energy: -26.333
bonds (distance) P-C4' energy: -25.554
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: 1.127
tors. eta vs tors. theta energy: 9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 456
Temperature: 2.050000
Total energy: -63.396343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.396343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.396343 (E_RNA)
where:
Base-Base interactions energy: -17.000
where: short stacking energy: -17.000
Base-Backbone interact. energy: -0.197
local terms energy: -46.199575
where:
bonds (distance) C4'-P energy: -19.563
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: 12.527
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: 5, replica: 3
=====================================
Write number: 456
Temperature: 2.433333
Total energy: -45.616090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.616090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.616090 (E_RNA)
where:
Base-Base interactions energy: -12.177
where: short stacking energy: -13.428
Base-Backbone interact. energy: -0.420
local terms energy: -33.019082
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -6.992
flat angles P-C4'-P energy: -1.647
tors. eta vs tors. theta energy: 4.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 456
Temperature: 2.816667
Total energy: -32.268986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.268986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.268986 (E_RNA)
where:
Base-Base interactions energy: -3.558
where: short stacking energy: 0.401
Base-Backbone interact. energy: 0.214
local terms energy: -28.925727
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -17.898
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: 1.118
tors. eta vs tors. theta energy: 19.395
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: 4
=====================================
Write number: 456
Temperature: 3.200000
Total energy: -33.727975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.727975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.727975 (E_RNA)
where:
Base-Base interactions energy: -13.103
where: short stacking energy: -3.570
Base-Backbone interact. energy: -0.657
local terms energy: -19.968594
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -0.189
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: 15.769
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: 8
=====================================
Write number: 456
Temperature: 3.583333
Total energy: -11.483039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.483039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.483039 (E_RNA)
where:
Base-Base interactions energy: -6.615
where: short stacking energy: -4.754
Base-Backbone interact. energy: 0.116
local terms energy: -4.984210
where:
bonds (distance) C4'-P energy: 4.961
bonds (distance) P-C4' energy: -21.842
flat angles C4'-P-C4' energy: -2.599
flat angles P-C4'-P energy: -0.259
tors. eta vs tors. theta energy: 14.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 456
Temperature: 3.966667
Total energy: -3.610170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.610170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.610170 (E_RNA)
where:
Base-Base interactions energy: -3.531
where: short stacking energy: 1.200
Base-Backbone interact. energy: 3.015
local terms energy: -3.094804
where:
bonds (distance) C4'-P energy: -8.934
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -7.749
flat angles P-C4'-P energy: 14.606
tors. eta vs tors. theta energy: 18.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 456
Temperature: 4.350000
Total energy: -2.690955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.690955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.690955 (E_RNA)
where:
Base-Base interactions energy: -4.715
where: short stacking energy: -5.900
Base-Backbone interact. energy: -0.554
local terms energy: 2.578211
where:
bonds (distance) C4'-P energy: -9.339
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: 12.610
flat angles P-C4'-P energy: -0.535
tors. eta vs tors. theta energy: 12.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -388.432251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.432251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.432251 (E_RNA)
where:
Base-Base interactions energy: -265.044
where: short stacking energy: -133.040
Base-Backbone interact. energy: -0.080
local terms energy: -123.308612
where:
bonds (distance) C4'-P energy: -25.274
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -27.144
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -32.767
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: 457
Temperature: 1.283333
Total energy: -193.730255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.730255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.730255 (E_RNA)
where:
Base-Base interactions energy: -129.682
where: short stacking energy: -53.414
Base-Backbone interact. energy: 2.895
local terms energy: -66.943461
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.666667
Total energy: -85.329908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.329908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.329908 (E_RNA)
where:
Base-Base interactions energy: -32.476
where: short stacking energy: -18.118
Base-Backbone interact. energy: -0.627
local terms energy: -52.226297
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: 9.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 457
Temperature: 2.050000
Total energy: -57.627109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.627109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.627109 (E_RNA)
where:
Base-Base interactions energy: -11.881
where: short stacking energy: -11.881
Base-Backbone interact. energy: -0.537
local terms energy: -45.209292
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -9.337
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: 6.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 457
Temperature: 2.433333
Total energy: -44.664102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.664102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.664102 (E_RNA)
where:
Base-Base interactions energy: -6.724
where: short stacking energy: -6.724
Base-Backbone interact. energy: -0.718
local terms energy: -37.222362
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: 1.505
tors. eta vs tors. theta energy: 8.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 457
Temperature: 2.816667
Total energy: -38.036013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -38.036013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -38.036013 (E_RNA)
where:
Base-Base interactions energy: -4.118
where: short stacking energy: -3.329
Base-Backbone interact. energy: -1.020
local terms energy: -32.898059
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -4.532
tors. eta vs tors. theta energy: 13.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 457
Temperature: 3.200000
Total energy: -19.150731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.150731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.150731 (E_RNA)
where:
Base-Base interactions energy: -2.839
where: short stacking energy: -1.045
Base-Backbone interact. energy: -0.521
local terms energy: -15.791324
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -0.941
flat angles C4'-P-C4' energy: -7.007
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: 12.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 457
Temperature: 3.583333
Total energy: -28.890184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.890184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.890184 (E_RNA)
where:
Base-Base interactions energy: -11.290
where: short stacking energy: -2.312
Base-Backbone interact. energy: 2.286
local terms energy: -19.885543
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -1.745
flat angles P-C4'-P energy: 0.316
tors. eta vs tors. theta energy: 18.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 3.966667
Total energy: -6.234275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.234275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.234275 (E_RNA)
where:
Base-Base interactions energy: -2.234
where: short stacking energy: -1.409
Base-Backbone interact. energy: 6.938
local terms energy: -10.938392
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: 5.267
flat angles P-C4'-P energy: 11.449
tors. eta vs tors. theta energy: 13.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 457
Temperature: 4.350000
Total energy: -0.882775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.882775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.882775 (E_RNA)
where:
Base-Base interactions energy: -0.179
where: short stacking energy: -3.314
Base-Backbone interact. energy: 1.695
local terms energy: -2.398617
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -8.745
flat angles P-C4'-P energy: 20.183
tors. eta vs tors. theta energy: 13.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -377.853501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.853501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.853501 (E_RNA)
where:
Base-Base interactions energy: -245.404
where: short stacking energy: -122.498
Base-Backbone interact. energy: -0.130
local terms energy: -132.318606
where:
bonds (distance) C4'-P energy: -28.748
bonds (distance) P-C4' energy: -26.718
flat angles C4'-P-C4' energy: -26.601
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -33.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 1.283333
Total energy: -214.751558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.751558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.751558 (E_RNA)
where:
Base-Base interactions energy: -140.142
where: short stacking energy: -65.775
Base-Backbone interact. energy: -0.336
local terms energy: -74.273879
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -18.978
flat angles C4'-P-C4' energy: -22.067
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 458
Temperature: 1.666667
Total energy: -92.273329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.273329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.273329 (E_RNA)
where:
Base-Base interactions energy: -29.896
where: short stacking energy: -28.793
Base-Backbone interact. energy: 1.053
local terms energy: -63.430489
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -26.175
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: 11.332
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: 4, replica: 5
=====================================
Write number: 458
Temperature: 2.050000
Total energy: -55.574553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.574553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.574553 (E_RNA)
where:
Base-Base interactions energy: -4.007
where: short stacking energy: -4.456
Base-Backbone interact. energy: -0.454
local terms energy: -51.113014
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: 15.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 458
Temperature: 2.433333
Total energy: -49.802119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.802119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.802119 (E_RNA)
where:
Base-Base interactions energy: -12.608
where: short stacking energy: -9.675
Base-Backbone interact. energy: -0.358
local terms energy: -36.835818
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -7.563
flat angles P-C4'-P energy: -1.741
tors. eta vs tors. theta energy: 12.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 458
Temperature: 2.816667
Total energy: -42.155384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.155384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.155384 (E_RNA)
where:
Base-Base interactions energy: -19.090
where: short stacking energy: -17.052
Base-Backbone interact. energy: -0.547
local terms energy: -22.518539
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -18.571
flat angles C4'-P-C4' energy: -7.779
flat angles P-C4'-P energy: 1.527
tors. eta vs tors. theta energy: 12.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 458
Temperature: 3.200000
Total energy: -22.569730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.569730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.569730 (E_RNA)
where:
Base-Base interactions energy: -10.599
where: short stacking energy: -3.465
Base-Backbone interact. energy: 2.337
local terms energy: -14.307700
where:
bonds (distance) C4'-P energy: -8.181
bonds (distance) P-C4' energy: -8.239
flat angles C4'-P-C4' energy: -8.180
flat angles P-C4'-P energy: -0.768
tors. eta vs tors. theta energy: 11.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 458
Temperature: 3.583333
Total energy: -14.624559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.624559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.624559 (E_RNA)
where:
Base-Base interactions energy: -1.667
where: short stacking energy: -3.073
Base-Backbone interact. energy: 0.464
local terms energy: -13.422271
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -3.854
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: 11.922
tors. eta vs tors. theta energy: 11.156
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: 9
=====================================
Write number: 458
Temperature: 3.966667
Total energy: -6.852610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.852610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.852610 (E_RNA)
where:
Base-Base interactions energy: 3.620
where: short stacking energy: 0.449
Base-Backbone interact. energy: -0.672
local terms energy: -9.801496
where:
bonds (distance) C4'-P energy: -7.856
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -6.786
flat angles P-C4'-P energy: 5.584
tors. eta vs tors. theta energy: 17.279
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: 8
=====================================
Write number: 458
Temperature: 4.350000
Total energy: -9.567191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.567191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.567191 (E_RNA)
where:
Base-Base interactions energy: -4.640
where: short stacking energy: -4.640
Base-Backbone interact. energy: 1.206
local terms energy: -6.132634
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -11.938
flat angles C4'-P-C4' energy: -3.346
flat angles P-C4'-P energy: 8.706
tors. eta vs tors. theta energy: 14.362
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: 1
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -370.592453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.592453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.592453 (E_RNA)
where:
Base-Base interactions energy: -243.789
where: short stacking energy: -114.651
Base-Backbone interact. energy: -2.217
local terms energy: -124.586035
where:
bonds (distance) C4'-P energy: -24.434
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -28.515
flat angles P-C4'-P energy: -16.255
tors. eta vs tors. theta energy: -31.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 459
Temperature: 1.283333
Total energy: -220.059534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.059534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.059534 (E_RNA)
where:
Base-Base interactions energy: -128.961
where: short stacking energy: -61.516
Base-Backbone interact. energy: -0.259
local terms energy: -90.839727
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -27.337
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -10.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 459
Temperature: 1.666667
Total energy: -89.524171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.524171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.524171 (E_RNA)
where:
Base-Base interactions energy: -34.089
where: short stacking energy: -32.410
Base-Backbone interact. energy: 1.522
local terms energy: -56.956966
where:
bonds (distance) C4'-P energy: -7.791
bonds (distance) P-C4' energy: -21.338
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -3.902
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: 6
=====================================
Write number: 459
Temperature: 2.050000
Total energy: -56.156615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.156615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.156615 (E_RNA)
where:
Base-Base interactions energy: -9.313
where: short stacking energy: -7.393
Base-Backbone interact. energy: -0.599
local terms energy: -46.244592
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -26.399
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -1.711
tors. eta vs tors. theta energy: 13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 459
Temperature: 2.433333
Total energy: -47.492375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.492375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.492375 (E_RNA)
where:
Base-Base interactions energy: -7.794
where: short stacking energy: -3.848
Base-Backbone interact. energy: -0.365
local terms energy: -39.333517
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -4.084
tors. eta vs tors. theta energy: 10.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 459
Temperature: 2.816667
Total energy: -35.620739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.620739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.620739 (E_RNA)
where:
Base-Base interactions energy: -9.512
where: short stacking energy: -6.871
Base-Backbone interact. energy: 0.654
local terms energy: -26.762789
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: 0.950
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: 16.293
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: 4
=====================================
Write number: 459
Temperature: 3.200000
Total energy: -24.124117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.124117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.124117 (E_RNA)
where:
Base-Base interactions energy: -5.846
where: short stacking energy: -1.995
Base-Backbone interact. energy: 2.098
local terms energy: -20.376016
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: 2.333
tors. eta vs tors. theta energy: 17.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 459
Temperature: 3.583333
Total energy: -12.807338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.807338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.807338 (E_RNA)
where:
Base-Base interactions energy: -8.307
where: short stacking energy: -8.307
Base-Backbone interact. energy: 1.215
local terms energy: -5.715555
where:
bonds (distance) C4'-P energy: 0.715
bonds (distance) P-C4' energy: -10.752
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: 3.976
tors. eta vs tors. theta energy: 14.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 459
Temperature: 3.966667
Total energy: -4.783907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.783907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.783907 (E_RNA)
where:
Base-Base interactions energy: -4.926
where: short stacking energy: 1.696
Base-Backbone interact. energy: 2.903
local terms energy: -2.761063
where:
bonds (distance) C4'-P energy: 3.274
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -7.540
flat angles P-C4'-P energy: -0.304
tors. eta vs tors. theta energy: 18.822
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: 8
=====================================
Write number: 459
Temperature: 4.350000
Total energy: -5.416642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.416642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.416642 (E_RNA)
where:
Base-Base interactions energy: -11.835
where: short stacking energy: -1.637
Base-Backbone interact. energy: -0.578
local terms energy: 6.996468
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: 14.382
flat angles P-C4'-P energy: -2.125
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: 1, replica: 1
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -366.317893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.317893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.317893 (E_RNA)
where:
Base-Base interactions energy: -247.456
where: short stacking energy: -103.694
Base-Backbone interact. energy: -0.114
local terms energy: -118.748538
where:
bonds (distance) C4'-P energy: -24.691
bonds (distance) P-C4' energy: -25.064
flat angles C4'-P-C4' energy: -27.457
flat angles P-C4'-P energy: -16.218
tors. eta vs tors. theta energy: -25.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 460
Temperature: 1.283333
Total energy: -248.939189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.939189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.939189 (E_RNA)
where:
Base-Base interactions energy: -167.553
where: short stacking energy: -79.719
Base-Backbone interact. energy: -0.930
local terms energy: -80.456457
where:
bonds (distance) C4'-P energy: -22.952
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -12.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 460
Temperature: 1.666667
Total energy: -90.548306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.548306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.548306 (E_RNA)
where:
Base-Base interactions energy: -34.998
where: short stacking energy: -30.144
Base-Backbone interact. energy: -0.567
local terms energy: -54.983388
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -7.528
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -2.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 460
Temperature: 2.050000
Total energy: -72.671509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.671509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.671509 (E_RNA)
where:
Base-Base interactions energy: -24.380
where: short stacking energy: -20.690
Base-Backbone interact. energy: -0.492
local terms energy: -47.799879
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -16.912
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -3.770
tors. eta vs tors. theta energy: -1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 460
Temperature: 2.433333
Total energy: -44.936433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.936433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.936433 (E_RNA)
where:
Base-Base interactions energy: -14.335
where: short stacking energy: -9.368
Base-Backbone interact. energy: -0.611
local terms energy: -29.990484
where:
bonds (distance) C4'-P energy: -8.859
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: 0.967
tors. eta vs tors. theta energy: 11.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 460
Temperature: 2.816667
Total energy: -33.380723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.380723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.380723 (E_RNA)
where:
Base-Base interactions energy: -4.596
where: short stacking energy: -3.593
Base-Backbone interact. energy: -0.820
local terms energy: -27.964574
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -7.269
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: 1.540
tors. eta vs tors. theta energy: 6.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 460
Temperature: 3.200000
Total energy: -30.403785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.403785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.403785 (E_RNA)
where:
Base-Base interactions energy: -9.966
where: short stacking energy: -4.085
Base-Backbone interact. energy: 5.230
local terms energy: -25.668174
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -2.615
flat angles P-C4'-P energy: 0.805
tors. eta vs tors. theta energy: 8.741
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: 9
=====================================
Write number: 460
Temperature: 3.583333
Total energy: -12.572060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.572060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.572060 (E_RNA)
where:
Base-Base interactions energy: -9.436
where: short stacking energy: -7.355
Base-Backbone interact. energy: 3.369
local terms energy: -6.504976
where:
bonds (distance) C4'-P energy: 0.829
bonds (distance) P-C4' energy: -22.863
flat angles C4'-P-C4' energy: 4.287
flat angles P-C4'-P energy: -0.267
tors. eta vs tors. theta energy: 11.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 460
Temperature: 3.966667
Total energy: -14.746347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.746347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.746347 (E_RNA)
where:
Base-Base interactions energy: -9.564
where: short stacking energy: -8.335
Base-Backbone interact. energy: 0.517
local terms energy: -5.699701
where:
bonds (distance) C4'-P energy: -7.996
bonds (distance) P-C4' energy: -6.311
flat angles C4'-P-C4' energy: -6.297
flat angles P-C4'-P energy: 0.184
tors. eta vs tors. theta energy: 14.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 460
Temperature: 4.350000
Total energy: -4.348790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.348790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.348790 (E_RNA)
where:
Base-Base interactions energy: 0.255
where: short stacking energy: 0.255
Base-Backbone interact. energy: 1.504
local terms energy: -6.108159
where:
bonds (distance) C4'-P energy: -9.501
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: 8.972
tors. eta vs tors. theta energy: 19.937
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: 1
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -366.222286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.222286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.222286 (E_RNA)
where:
Base-Base interactions energy: -249.203
where: short stacking energy: -105.417
Base-Backbone interact. energy: -0.241
local terms energy: -116.777999
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -24.831
flat angles C4'-P-C4' energy: -27.023
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -31.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 461
Temperature: 1.283333
Total energy: -241.190481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.190481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.190481 (E_RNA)
where:
Base-Base interactions energy: -155.960
where: short stacking energy: -61.824
Base-Backbone interact. energy: -0.602
local terms energy: -84.627959
where:
bonds (distance) C4'-P energy: -21.348
bonds (distance) P-C4' energy: -27.207
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -10.047
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: 6
=====================================
Write number: 461
Temperature: 1.666667
Total energy: -93.933296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.933296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.933296 (E_RNA)
where:
Base-Base interactions energy: -26.228
where: short stacking energy: -24.948
Base-Backbone interact. energy: 0.452
local terms energy: -68.157535
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -24.033
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: 0.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 461
Temperature: 2.050000
Total energy: -73.349595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.349595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.349595 (E_RNA)
where:
Base-Base interactions energy: -32.284
where: short stacking energy: -32.209
Base-Backbone interact. energy: -0.389
local terms energy: -40.676696
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: 1.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 461
Temperature: 2.433333
Total energy: -53.894206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.894206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.894206 (E_RNA)
where:
Base-Base interactions energy: -15.414
where: short stacking energy: -13.266
Base-Backbone interact. energy: 0.546
local terms energy: -39.025310
where:
bonds (distance) C4'-P energy: -18.171
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -8.524
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: 10.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 461
Temperature: 2.816667
Total energy: -33.873980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.873980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.873980 (E_RNA)
where:
Base-Base interactions energy: -9.842
where: short stacking energy: -9.842
Base-Backbone interact. energy: 1.486
local terms energy: -25.518915
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -5.600
flat angles P-C4'-P energy: 4.522
tors. eta vs tors. theta energy: 11.520
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: 7, replica: 4
=====================================
Write number: 461
Temperature: 3.200000
Total energy: -25.768620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.768620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.768620 (E_RNA)
where:
Base-Base interactions energy: -5.399
where: short stacking energy: -3.013
Base-Backbone interact. energy: 1.759
local terms energy: -22.128930
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: 4.893
tors. eta vs tors. theta energy: 18.681
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: 8, replica: 8
=====================================
Write number: 461
Temperature: 3.583333
Total energy: -12.473959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.473959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.473959 (E_RNA)
where:
Base-Base interactions energy: -2.580
where: short stacking energy: -0.679
Base-Backbone interact. energy: 1.469
local terms energy: -11.362534
where:
bonds (distance) C4'-P energy: -10.420
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: 3.265
flat angles P-C4'-P energy: -1.185
tors. eta vs tors. theta energy: 13.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 461
Temperature: 3.966667
Total energy: -2.294984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.294984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.294984 (E_RNA)
where:
Base-Base interactions energy: -2.720
where: short stacking energy: -2.720
Base-Backbone interact. energy: 4.067
local terms energy: -3.642620
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -6.503
flat angles C4'-P-C4' energy: -2.486
flat angles P-C4'-P energy: 1.474
tors. eta vs tors. theta energy: 16.432
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: 7
=====================================
Write number: 461
Temperature: 4.350000
Total energy: -2.761735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.761735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.761735 (E_RNA)
where:
Base-Base interactions energy: -11.228
where: short stacking energy: -7.745
Base-Backbone interact. energy: 9.950
local terms energy: -1.483932
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -10.643
flat angles C4'-P-C4' energy: 2.377
flat angles P-C4'-P energy: 6.020
tors. eta vs tors. theta energy: 19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -363.160110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.160110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.160110 (E_RNA)
where:
Base-Base interactions energy: -243.394
where: short stacking energy: -107.704
Base-Backbone interact. energy: -0.297
local terms energy: -119.469329
where:
bonds (distance) C4'-P energy: -23.156
bonds (distance) P-C4' energy: -23.817
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -31.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 1.283333
Total energy: -252.570599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.570599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.570599 (E_RNA)
where:
Base-Base interactions energy: -156.185
where: short stacking energy: -65.369
Base-Backbone interact. energy: -0.872
local terms energy: -95.514026
where:
bonds (distance) C4'-P energy: -22.634
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -14.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 462
Temperature: 1.666667
Total energy: -98.080082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.080082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.080082 (E_RNA)
where:
Base-Base interactions energy: -35.928
where: short stacking energy: -23.637
Base-Backbone interact. energy: -0.413
local terms energy: -61.739278
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: 2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 462
Temperature: 2.050000
Total energy: -64.642897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.642897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.642897 (E_RNA)
where:
Base-Base interactions energy: -12.320
where: short stacking energy: -10.190
Base-Backbone interact. energy: 2.040
local terms energy: -54.362582
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -17.143
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 462
Temperature: 2.433333
Total energy: -45.617240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.617240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.617240 (E_RNA)
where:
Base-Base interactions energy: -10.097
where: short stacking energy: -10.097
Base-Backbone interact. energy: 1.103
local terms energy: -36.623304
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -3.189
tors. eta vs tors. theta energy: 7.835
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: 10
=====================================
Write number: 462
Temperature: 2.816667
Total energy: -33.776314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.776314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.776314 (E_RNA)
where:
Base-Base interactions energy: -4.525
where: short stacking energy: -0.419
Base-Backbone interact. energy: -0.531
local terms energy: -28.720545
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -20.282
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -3.528
tors. eta vs tors. theta energy: 20.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 462
Temperature: 3.200000
Total energy: -21.874644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.874644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.874644 (E_RNA)
where:
Base-Base interactions energy: -6.560
where: short stacking energy: -6.560
Base-Backbone interact. energy: 7.012
local terms energy: -22.326719
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: 1.190
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: 12.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 462
Temperature: 3.583333
Total energy: -29.864558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.864558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.864558 (E_RNA)
where:
Base-Base interactions energy: -1.608
where: short stacking energy: -0.985
Base-Backbone interact. energy: 0.075
local terms energy: -28.332392
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -4.781
flat angles P-C4'-P energy: -3.181
tors. eta vs tors. theta energy: 11.602
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: 7
=====================================
Write number: 462
Temperature: 3.966667
Total energy: -4.362047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -4.362047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -4.362047 (E_RNA)
where:
Base-Base interactions energy: -6.049
where: short stacking energy: -4.152
Base-Backbone interact. energy: -0.034
local terms energy: 1.721796
where:
bonds (distance) C4'-P energy: -8.578
bonds (distance) P-C4' energy: -7.546
flat angles C4'-P-C4' energy: -0.114
flat angles P-C4'-P energy: 7.735
tors. eta vs tors. theta energy: 10.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 4.350000
Total energy: -10.504815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.504815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.504815 (E_RNA)
where:
Base-Base interactions energy: 0.953
where: short stacking energy: 1.468
Base-Backbone interact. energy: 1.897
local terms energy: -13.354279
where:
bonds (distance) C4'-P energy: -8.019
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -4.421
flat angles P-C4'-P energy: 3.459
tors. eta vs tors. theta energy: 12.187
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: 1
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -371.151381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.151381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.151381 (E_RNA)
where:
Base-Base interactions energy: -249.144
where: short stacking energy: -105.619
Base-Backbone interact. energy: -0.394
local terms energy: -121.613214
where:
bonds (distance) C4'-P energy: -25.809
bonds (distance) P-C4' energy: -24.329
flat angles C4'-P-C4' energy: -25.061
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -33.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 463
Temperature: 1.283333
Total energy: -263.570075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.570075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.570075 (E_RNA)
where:
Base-Base interactions energy: -164.120
where: short stacking energy: -73.725
Base-Backbone interact. energy: -0.111
local terms energy: -99.338515
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -24.485
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -18.988
tors. eta vs tors. theta energy: -15.705
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: 6
=====================================
Write number: 463
Temperature: 1.666667
Total energy: -89.822463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.822463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.822463 (E_RNA)
where:
Base-Base interactions energy: -23.354
where: short stacking energy: -18.831
Base-Backbone interact. energy: 0.644
local terms energy: -67.113327
where:
bonds (distance) C4'-P energy: -21.385
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: 5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 463
Temperature: 2.050000
Total energy: -65.832759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.832759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.832759 (E_RNA)
where:
Base-Base interactions energy: -18.098
where: short stacking energy: -15.512
Base-Backbone interact. energy: -0.472
local terms energy: -47.261833
where:
bonds (distance) C4'-P energy: -23.647
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -0.561
tors. eta vs tors. theta energy: 6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 463
Temperature: 2.433333
Total energy: -50.741595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.741595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.741595 (E_RNA)
where:
Base-Base interactions energy: -19.774
where: short stacking energy: -19.774
Base-Backbone interact. energy: 1.183
local terms energy: -32.150211
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: 5.474
tors. eta vs tors. theta energy: 7.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 463
Temperature: 2.816667
Total energy: -29.054507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.054507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.054507 (E_RNA)
where:
Base-Base interactions energy: -1.778
where: short stacking energy: -3.072
Base-Backbone interact. energy: -1.103
local terms energy: -26.174125
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -5.950
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -3.220
tors. eta vs tors. theta energy: 12.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 463
Temperature: 3.200000
Total energy: -28.917646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.917646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.917646 (E_RNA)
where:
Base-Base interactions energy: 0.706
where: short stacking energy: -1.309
Base-Backbone interact. energy: 0.688
local terms energy: -30.312219
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -18.332
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: 7.924
tors. eta vs tors. theta energy: 16.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 463
Temperature: 3.583333
Total energy: -23.029347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.029347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.029347 (E_RNA)
where:
Base-Base interactions energy: -9.752
where: short stacking energy: -8.218
Base-Backbone interact. energy: 0.618
local terms energy: -13.895855
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -6.680
flat angles C4'-P-C4' energy: 2.090
flat angles P-C4'-P energy: -2.442
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: 9, replica: 7
=====================================
Write number: 463
Temperature: 3.966667
Total energy: -2.424900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.424900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.424900 (E_RNA)
where:
Base-Base interactions energy: -6.623
where: short stacking energy: -6.278
Base-Backbone interact. energy: 0.192
local terms energy: 4.006553
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -6.731
flat angles C4'-P-C4' energy: 2.751
flat angles P-C4'-P energy: 8.240
tors. eta vs tors. theta energy: 17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 463
Temperature: 4.350000
Total energy: -3.813237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3.813237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3.813237 (E_RNA)
where:
Base-Base interactions energy: -2.742
where: short stacking energy: -2.703
Base-Backbone interact. energy: -0.481
local terms energy: -0.590373
where:
bonds (distance) C4'-P energy: 1.388
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: 2.853
flat angles P-C4'-P energy: -1.179
tors. eta vs tors. theta energy: 11.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -373.049372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.049372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.049372 (E_RNA)
where:
Base-Base interactions energy: -252.351
where: short stacking energy: -115.582
Base-Backbone interact. energy: -0.099
local terms energy: -120.598926
where:
bonds (distance) C4'-P energy: -26.315
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -25.269
flat angles P-C4'-P energy: -18.217
tors. eta vs tors. theta energy: -32.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 464
Temperature: 1.283333
Total energy: -194.150323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.150323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.150323 (E_RNA)
where:
Base-Base interactions energy: -119.599
where: short stacking energy: -69.603
Base-Backbone interact. energy: -0.435
local terms energy: -74.116066
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -8.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 464
Temperature: 1.666667
Total energy: -87.785457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.785457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.785457 (E_RNA)
where:
Base-Base interactions energy: -28.886
where: short stacking energy: -28.886
Base-Backbone interact. energy: 0.856
local terms energy: -59.755301
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -22.030
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: 5.918
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: 4, replica: 5
=====================================
Write number: 464
Temperature: 2.050000
Total energy: -61.930055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.930055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.930055 (E_RNA)
where:
Base-Base interactions energy: -22.460
where: short stacking energy: -21.729
Base-Backbone interact. energy: 2.980
local terms energy: -42.450234
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: 6.575
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: 10
=====================================
Write number: 464
Temperature: 2.433333
Total energy: -43.387508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.387508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.387508 (E_RNA)
where:
Base-Base interactions energy: -10.407
where: short stacking energy: -9.013
Base-Backbone interact. energy: -0.333
local terms energy: -32.647164
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -9.681
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: 3.935
tors. eta vs tors. theta energy: 3.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 464
Temperature: 2.816667
Total energy: -33.942417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.942417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.942417 (E_RNA)
where:
Base-Base interactions energy: -6.465
where: short stacking energy: -1.118
Base-Backbone interact. energy: 7.908
local terms energy: -35.384993
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -23.206
flat angles C4'-P-C4' energy: 1.839
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: 10.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 464
Temperature: 3.200000
Total energy: -28.608427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.608427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.608427 (E_RNA)
where:
Base-Base interactions energy: -6.276
where: short stacking energy: -5.239
Base-Backbone interact. energy: 0.934
local terms energy: -23.266552
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -5.079
flat angles P-C4'-P energy: -1.819
tors. eta vs tors. theta energy: 15.912
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: 8, replica: 8
=====================================
Write number: 464
Temperature: 3.583333
Total energy: -13.954991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.954991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.954991 (E_RNA)
where:
Base-Base interactions energy: -7.953
where: short stacking energy: -7.281
Base-Backbone interact. energy: 1.109
local terms energy: -7.110997
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: 5.895
flat angles P-C4'-P energy: -3.394
tors. eta vs tors. theta energy: 21.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 464
Temperature: 3.966667
Total energy: -8.419775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.419775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.419775 (E_RNA)
where:
Base-Base interactions energy: -7.499
where: short stacking energy: -1.447
Base-Backbone interact. energy: -1.909
local terms energy: 0.988880
where:
bonds (distance) C4'-P energy: -6.151
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -0.683
flat angles P-C4'-P energy: 2.431
tors. eta vs tors. theta energy: 17.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 464
Temperature: 4.350000
Total energy: -0.295031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.295031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.295031 (E_RNA)
where:
Base-Base interactions energy: -4.784
where: short stacking energy: -3.555
Base-Backbone interact. energy: 3.155
local terms energy: 1.333808
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: 4.943
flat angles P-C4'-P energy: 9.081
tors. eta vs tors. theta energy: 13.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -371.961317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.961317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.961317 (E_RNA)
where:
Base-Base interactions energy: -253.797
where: short stacking energy: -108.542
Base-Backbone interact. energy: -0.093
local terms energy: -118.071735
where:
bonds (distance) C4'-P energy: -24.283
bonds (distance) P-C4' energy: -22.695
flat angles C4'-P-C4' energy: -21.474
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -31.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 465
Temperature: 1.283333
Total energy: -189.320973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.320973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.320973 (E_RNA)
where:
Base-Base interactions energy: -105.046
where: short stacking energy: -52.143
Base-Backbone interact. energy: -0.238
local terms energy: -84.036858
where:
bonds (distance) C4'-P energy: -20.973
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -7.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 465
Temperature: 1.666667
Total energy: -83.603626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.603626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.603626 (E_RNA)
where:
Base-Base interactions energy: -32.131
where: short stacking energy: -17.942
Base-Backbone interact. energy: 0.532
local terms energy: -52.005144
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: 6.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 465
Temperature: 2.050000
Total energy: -66.360414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.360414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.360414 (E_RNA)
where:
Base-Base interactions energy: -12.297
where: short stacking energy: -11.776
Base-Backbone interact. energy: -0.360
local terms energy: -53.703799
where:
bonds (distance) C4'-P energy: -24.668
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -5.905
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: 11.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 465
Temperature: 2.433333
Total energy: -42.766334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -42.766334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -42.766334 (E_RNA)
where:
Base-Base interactions energy: -9.428
where: short stacking energy: -5.776
Base-Backbone interact. energy: -1.339
local terms energy: -31.999172
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -7.054
flat angles P-C4'-P energy: -1.090
tors. eta vs tors. theta energy: 9.933
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: 4
=====================================
Write number: 465
Temperature: 2.816667
Total energy: -29.975094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.975094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.975094 (E_RNA)
where:
Base-Base interactions energy: -0.569
where: short stacking energy: 0.507
Base-Backbone interact. energy: 0.437
local terms energy: -29.843636
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -6.538
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: 16.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 465
Temperature: 3.200000
Total energy: -25.511107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.511107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.511107 (E_RNA)
where:
Base-Base interactions energy: -7.816
where: short stacking energy: -6.102
Base-Backbone interact. energy: 3.251
local terms energy: -20.947006
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -6.402
flat angles C4'-P-C4' energy: -2.451
flat angles P-C4'-P energy: 0.285
tors. eta vs tors. theta energy: 7.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 3.583333
Total energy: -9.737840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.737840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.737840 (E_RNA)
where:
Base-Base interactions energy: -16.130
where: short stacking energy: -13.072
Base-Backbone interact. energy: -0.508
local terms energy: 6.900816
where:
bonds (distance) C4'-P energy: -1.079
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -1.997
flat angles P-C4'-P energy: 13.185
tors. eta vs tors. theta energy: 9.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 465
Temperature: 3.966667
Total energy: -15.151788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.151788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.151788 (E_RNA)
where:
Base-Base interactions energy: -4.366
where: short stacking energy: -4.899
Base-Backbone interact. energy: -0.681
local terms energy: -10.104515
where:
bonds (distance) C4'-P energy: -18.171
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: 1.860
flat angles P-C4'-P energy: 2.785
tors. eta vs tors. theta energy: 19.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 465
Temperature: 4.350000
Total energy: -0.959129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.959129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.959129 (E_RNA)
where:
Base-Base interactions energy: -1.669
where: short stacking energy: -1.029
Base-Backbone interact. energy: 8.316
local terms energy: -7.606063
where:
bonds (distance) C4'-P energy: 0.707
bonds (distance) P-C4' energy: -19.792
flat angles C4'-P-C4' energy: -4.570
flat angles P-C4'-P energy: -2.850
tors. eta vs tors. theta energy: 18.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -373.490925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.490925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.490925 (E_RNA)
where:
Base-Base interactions energy: -250.433
where: short stacking energy: -117.362
Base-Backbone interact. energy: 0.339
local terms energy: -123.397261
where:
bonds (distance) C4'-P energy: -27.874
bonds (distance) P-C4' energy: -27.607
flat angles C4'-P-C4' energy: -24.325
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -28.693
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: 466
Temperature: 1.283333
Total energy: -196.310508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.310508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.310508 (E_RNA)
where:
Base-Base interactions energy: -102.319
where: short stacking energy: -53.243
Base-Backbone interact. energy: -0.226
local terms energy: -93.765042
where:
bonds (distance) C4'-P energy: -22.965
bonds (distance) P-C4' energy: -24.025
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -10.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 466
Temperature: 1.666667
Total energy: -87.750533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.750533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.750533 (E_RNA)
where:
Base-Base interactions energy: -39.938
where: short stacking energy: -28.038
Base-Backbone interact. energy: -0.723
local terms energy: -47.089532
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -8.630
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: 7.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 466
Temperature: 2.050000
Total energy: -62.681754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.681754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.681754 (E_RNA)
where:
Base-Base interactions energy: -24.967
where: short stacking energy: -24.296
Base-Backbone interact. energy: -0.600
local terms energy: -37.114847
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -20.192
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: 1.503
tors. eta vs tors. theta energy: 2.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 466
Temperature: 2.433333
Total energy: -49.124475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.124475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.124475 (E_RNA)
where:
Base-Base interactions energy: -12.828
where: short stacking energy: -12.652
Base-Backbone interact. energy: -0.265
local terms energy: -36.031768
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -9.601
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: 1.207
tors. eta vs tors. theta energy: -0.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 2.816667
Total energy: -28.008469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.008469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.008469 (E_RNA)
where:
Base-Base interactions energy: -15.831
where: short stacking energy: -15.831
Base-Backbone interact. energy: 0.127
local terms energy: -12.305030
where:
bonds (distance) C4'-P energy: -2.306
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: 7.732
tors. eta vs tors. theta energy: 13.547
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: 3
=====================================
Write number: 466
Temperature: 3.200000
Total energy: -22.740095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.740095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.740095 (E_RNA)
where:
Base-Base interactions energy: -5.305
where: short stacking energy: -5.059
Base-Backbone interact. energy: 3.856
local terms energy: -21.291042
where:
bonds (distance) C4'-P energy: -8.731
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -6.167
flat angles P-C4'-P energy: -5.093
tors. eta vs tors. theta energy: 13.216
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: 8
=====================================
Write number: 466
Temperature: 3.583333
Total energy: -15.690271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -15.690271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -15.690271 (E_RNA)
where:
Base-Base interactions energy: -0.536
where: short stacking energy: 0.700
Base-Backbone interact. energy: -0.591
local terms energy: -14.563380
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: 5.516
flat angles P-C4'-P energy: -0.940
tors. eta vs tors. theta energy: 15.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 3.966667
Total energy: -9.024076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.024076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.024076 (E_RNA)
where:
Base-Base interactions energy: -4.839
where: short stacking energy: -2.332
Base-Backbone interact. energy: 1.282
local terms energy: -5.467181
where:
bonds (distance) C4'-P energy: -5.294
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: 5.894
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: 11.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 466
Temperature: 4.350000
Total energy: -1.654676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1.654676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1.654676 (E_RNA)
where:
Base-Base interactions energy: -5.616
where: short stacking energy: -2.133
Base-Backbone interact. energy: 1.628
local terms energy: 2.333357
where:
bonds (distance) C4'-P energy: -9.857
bonds (distance) P-C4' energy: -0.852
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: 7.298
tors. eta vs tors. theta energy: 15.662
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: 467
Temperature: 0.900000
Total energy: -364.892582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.892582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.892582 (E_RNA)
where:
Base-Base interactions energy: -245.990
where: short stacking energy: -102.066
Base-Backbone interact. energy: -0.019
local terms energy: -118.883003
where:
bonds (distance) C4'-P energy: -27.647
bonds (distance) P-C4' energy: -24.207
flat angles C4'-P-C4' energy: -22.847
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -28.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 467
Temperature: 1.283333
Total energy: -190.900292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.900292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.900292 (E_RNA)
where:
Base-Base interactions energy: -111.498
where: short stacking energy: -58.811
Base-Backbone interact. energy: -0.195
local terms energy: -79.207043
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -24.455
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -8.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 467
Temperature: 1.666667
Total energy: -87.982433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.982433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.982433 (E_RNA)
where:
Base-Base interactions energy: -20.592
where: short stacking energy: -20.592
Base-Backbone interact. energy: 0.417
local terms energy: -67.807813
where:
bonds (distance) C4'-P energy: -21.180
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: 4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 467
Temperature: 2.050000
Total energy: -66.956534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.956534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.956534 (E_RNA)
where:
Base-Base interactions energy: -17.311
where: short stacking energy: -11.207
Base-Backbone interact. energy: 0.420
local terms energy: -50.065653
where:
bonds (distance) C4'-P energy: -23.294
bonds (distance) P-C4' energy: -8.929
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: 8.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 467
Temperature: 2.433333
Total energy: -41.002535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -41.002535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -41.002535 (E_RNA)
where:
Base-Base interactions energy: -12.089
where: short stacking energy: -9.999
Base-Backbone interact. energy: 2.461
local terms energy: -31.374423
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -8.739
flat angles P-C4'-P energy: 4.779
tors. eta vs tors. theta energy: 9.025
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: 5
=====================================
Write number: 467
Temperature: 2.816667
Total energy: -30.230381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -30.230381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -30.230381 (E_RNA)
where:
Base-Base interactions energy: -13.759
where: short stacking energy: -7.591
Base-Backbone interact. energy: 2.062
local terms energy: -18.533555
where:
bonds (distance) C4'-P energy: -5.146
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: 3.301
tors. eta vs tors. theta energy: 10.423
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: 7, replica: 3
=====================================
Write number: 467
Temperature: 3.200000
Total energy: -23.575061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.575061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.575061 (E_RNA)
where:
Base-Base interactions energy: -7.755
where: short stacking energy: -2.633
Base-Backbone interact. energy: -0.620
local terms energy: -15.200045
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -1.939
flat angles P-C4'-P energy: -0.910
tors. eta vs tors. theta energy: 15.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 467
Temperature: 3.583333
Total energy: -16.631304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.631304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.631304 (E_RNA)
where:
Base-Base interactions energy: -11.575
where: short stacking energy: -12.533
Base-Backbone interact. energy: 2.132
local terms energy: -7.188460
where:
bonds (distance) C4'-P energy: -7.525
bonds (distance) P-C4' energy: -9.176
flat angles C4'-P-C4' energy: -0.406
flat angles P-C4'-P energy: 0.571
tors. eta vs tors. theta energy: 9.347
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: 9, replica: 9
=====================================
Write number: 467
Temperature: 3.966667
Total energy: -5.477679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.477679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.477679 (E_RNA)
where:
Base-Base interactions energy: 0.321
where: short stacking energy: 2.155
Base-Backbone interact. energy: -0.259
local terms energy: -5.539387
where:
bonds (distance) C4'-P energy: -7.376
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -4.461
flat angles P-C4'-P energy: 0.358
tors. eta vs tors. theta energy: 19.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 467
Temperature: 4.350000
Total energy: 1.519428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1.519428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 1.519428 (E_RNA)
where:
Base-Base interactions energy: -1.969
where: short stacking energy: -0.822
Base-Backbone interact. energy: 6.052
local terms energy: -2.564184
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: 1.558
flat angles C4'-P-C4' energy: 1.921
flat angles P-C4'-P energy: -3.046
tors. eta vs tors. theta energy: 14.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -370.601083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.601083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.601083 (E_RNA)
where:
Base-Base interactions energy: -249.543
where: short stacking energy: -118.383
Base-Backbone interact. energy: -0.850
local terms energy: -120.207847
where:
bonds (distance) C4'-P energy: -24.002
bonds (distance) P-C4' energy: -25.571
flat angles C4'-P-C4' energy: -24.969
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -28.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 468
Temperature: 1.283333
Total energy: -203.453459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.453459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.453459 (E_RNA)
where:
Base-Base interactions energy: -116.905
where: short stacking energy: -69.577
Base-Backbone interact. energy: 0.125
local terms energy: -86.673384
where:
bonds (distance) C4'-P energy: -19.885
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -23.228
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -10.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 468
Temperature: 1.666667
Total energy: -83.079696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.079696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.079696 (E_RNA)
where:
Base-Base interactions energy: -32.778
where: short stacking energy: -31.878
Base-Backbone interact. energy: 0.356
local terms energy: -50.657399
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -17.870
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: 3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 468
Temperature: 2.050000
Total energy: -61.363091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.363091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.363091 (E_RNA)
where:
Base-Base interactions energy: -12.341
where: short stacking energy: -9.430
Base-Backbone interact. energy: 0.556
local terms energy: -49.578101
where:
bonds (distance) C4'-P energy: -19.885
bonds (distance) P-C4' energy: -23.354
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: 11.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 468
Temperature: 2.433333
Total energy: -59.032884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.032884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.032884 (E_RNA)
where:
Base-Base interactions energy: -11.721
where: short stacking energy: -7.772
Base-Backbone interact. energy: -0.309
local terms energy: -47.002674
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -20.487
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: 10.848
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: 4
=====================================
Write number: 468
Temperature: 2.816667
Total energy: -34.337827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.337827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.337827 (E_RNA)
where:
Base-Base interactions energy: -11.795
where: short stacking energy: -5.697
Base-Backbone interact. energy: 2.414
local terms energy: -24.956339
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -3.089
tors. eta vs tors. theta energy: 14.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 468
Temperature: 3.200000
Total energy: -21.740455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.740455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.740455 (E_RNA)
where:
Base-Base interactions energy: -0.643
where: short stacking energy: -0.163
Base-Backbone interact. energy: -0.478
local terms energy: -20.619260
where:
bonds (distance) C4'-P energy: -1.237
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -8.162
flat angles P-C4'-P energy: -4.741
tors. eta vs tors. theta energy: 11.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 468
Temperature: 3.583333
Total energy: -20.821409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.821409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.821409 (E_RNA)
where:
Base-Base interactions energy: -4.385
where: short stacking energy: -7.685
Base-Backbone interact. energy: -0.706
local terms energy: -15.730328
where:
bonds (distance) C4'-P energy: -9.335
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: 0.847
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: 12.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 468
Temperature: 3.966667
Total energy: -13.471460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.471460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.471460 (E_RNA)
where:
Base-Base interactions energy: -6.213
where: short stacking energy: -4.433
Base-Backbone interact. energy: 2.041
local terms energy: -9.299573
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -7.549
flat angles C4'-P-C4' energy: -3.444
flat angles P-C4'-P energy: 3.532
tors. eta vs tors. theta energy: 14.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 468
Temperature: 4.350000
Total energy: -0.404904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.404904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.404904 (E_RNA)
where:
Base-Base interactions energy: -5.502
where: short stacking energy: -2.133
Base-Backbone interact. energy: 0.515
local terms energy: 4.582365
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -8.782
flat angles C4'-P-C4' energy: 3.765
flat angles P-C4'-P energy: 3.149
tors. eta vs tors. theta energy: 18.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -371.743158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.743158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.743158 (E_RNA)
where:
Base-Base interactions energy: -246.402
where: short stacking energy: -119.791
Base-Backbone interact. energy: -0.021
local terms energy: -125.320384
where:
bonds (distance) C4'-P energy: -26.177
bonds (distance) P-C4' energy: -28.022
flat angles C4'-P-C4' energy: -25.709
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -32.765
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: 2
=====================================
Write number: 469
Temperature: 1.283333
Total energy: -234.928937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.928937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.928937 (E_RNA)
where:
Base-Base interactions energy: -135.144
where: short stacking energy: -62.697
Base-Backbone interact. energy: 0.175
local terms energy: -99.959951
where:
bonds (distance) C4'-P energy: -22.964
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 469
Temperature: 1.666667
Total energy: -93.825983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.825983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.825983 (E_RNA)
where:
Base-Base interactions energy: -32.294
where: short stacking energy: -31.785
Base-Backbone interact. energy: -0.568
local terms energy: -60.964326
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -9.085
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -6.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 469
Temperature: 2.050000
Total energy: -77.559557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.559557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.559557 (E_RNA)
where:
Base-Base interactions energy: -23.475
where: short stacking energy: -15.370
Base-Backbone interact. energy: 0.084
local terms energy: -54.168976
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -25.159
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: 9.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 469
Temperature: 2.433333
Total energy: -47.192725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.192725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.192725 (E_RNA)
where:
Base-Base interactions energy: -12.375
where: short stacking energy: -11.210
Base-Backbone interact. energy: -0.590
local terms energy: -34.227680
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -2.061
tors. eta vs tors. theta energy: 11.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 469
Temperature: 2.816667
Total energy: -29.756167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -29.756167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -29.756167 (E_RNA)
where:
Base-Base interactions energy: -12.314
where: short stacking energy: -6.692
Base-Backbone interact. energy: 0.736
local terms energy: -18.178305
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -17.282
flat angles C4'-P-C4' energy: -0.197
flat angles P-C4'-P energy: 2.962
tors. eta vs tors. theta energy: 6.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 469
Temperature: 3.200000
Total energy: -20.380150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.380150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.380150 (E_RNA)
where:
Base-Base interactions energy: -4.573
where: short stacking energy: -1.499
Base-Backbone interact. energy: -0.380
local terms energy: -15.427014
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -2.952
flat angles P-C4'-P energy: 3.371
tors. eta vs tors. theta energy: 18.058
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: 7
=====================================
Write number: 469
Temperature: 3.583333
Total energy: -14.633993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.633993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.633993 (E_RNA)
where:
Base-Base interactions energy: -10.237
where: short stacking energy: -10.237
Base-Backbone interact. energy: -0.591
local terms energy: -3.805486
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -4.249
flat angles C4'-P-C4' energy: -6.519
flat angles P-C4'-P energy: 4.065
tors. eta vs tors. theta energy: 8.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 469
Temperature: 3.966667
Total energy: -9.284198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.284198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.284198 (E_RNA)
where:
Base-Base interactions energy: -0.585
where: short stacking energy: -0.154
Base-Backbone interact. energy: 6.923
local terms energy: -15.622627
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -4.074
flat angles P-C4'-P energy: -3.041
tors. eta vs tors. theta energy: 19.226
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: 10, replica: 9
=====================================
Write number: 469
Temperature: 4.350000
Total energy: -13.039292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.039292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.039292 (E_RNA)
where:
Base-Base interactions energy: 0.035
where: short stacking energy: 0.945
Base-Backbone interact. energy: -0.665
local terms energy: -12.410222
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: 3.235
flat angles P-C4'-P energy: -2.474
tors. eta vs tors. theta energy: 13.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -373.743226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.743226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.743226 (E_RNA)
where:
Base-Base interactions energy: -247.972
where: short stacking energy: -114.638
Base-Backbone interact. energy: 0.159
local terms energy: -125.930391
where:
bonds (distance) C4'-P energy: -20.149
bonds (distance) P-C4' energy: -25.357
flat angles C4'-P-C4' energy: -29.450
flat angles P-C4'-P energy: -17.254
tors. eta vs tors. theta energy: -33.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 470
Temperature: 1.283333
Total energy: -193.736773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.736773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.736773 (E_RNA)
where:
Base-Base interactions energy: -116.856
where: short stacking energy: -61.326
Base-Backbone interact. energy: -0.204
local terms energy: -76.676453
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -6.962
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: 6
=====================================
Write number: 470
Temperature: 1.666667
Total energy: -84.566043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.566043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.566043 (E_RNA)
where:
Base-Base interactions energy: -22.011
where: short stacking energy: -17.946
Base-Backbone interact. energy: -0.682
local terms energy: -61.873057
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: 0.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 470
Temperature: 2.050000
Total energy: -72.555477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.555477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.555477 (E_RNA)
where:
Base-Base interactions energy: -20.607
where: short stacking energy: -20.492
Base-Backbone interact. energy: 0.997
local terms energy: -52.945399
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: 3.618
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: 470
Temperature: 2.433333
Total energy: -37.620098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -37.620098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -37.620098 (E_RNA)
where:
Base-Base interactions energy: -12.007
where: short stacking energy: -11.102
Base-Backbone interact. energy: 1.947
local terms energy: -27.559875
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -8.578
flat angles P-C4'-P energy: -4.594
tors. eta vs tors. theta energy: 17.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 470
Temperature: 2.816667
Total energy: -31.965173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.965173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.965173 (E_RNA)
where:
Base-Base interactions energy: -7.935
where: short stacking energy: -7.935
Base-Backbone interact. energy: -0.888
local terms energy: -23.142668
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -9.371
flat angles P-C4'-P energy: 2.666
tors. eta vs tors. theta energy: 18.634
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: 7
=====================================
Write number: 470
Temperature: 3.200000
Total energy: -24.117288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.117288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.117288 (E_RNA)
where:
Base-Base interactions energy: -8.950
where: short stacking energy: -8.024
Base-Backbone interact. energy: 9.072
local terms energy: -24.239030
where:
bonds (distance) C4'-P energy: -5.834
bonds (distance) P-C4' energy: -21.773
flat angles C4'-P-C4' energy: -7.305
flat angles P-C4'-P energy: 0.011
tors. eta vs tors. theta energy: 10.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 470
Temperature: 3.583333
Total energy: -12.031362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.031362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.031362 (E_RNA)
where:
Base-Base interactions energy: -6.604
where: short stacking energy: -3.461
Base-Backbone interact. energy: 0.957
local terms energy: -6.383917
where:
bonds (distance) C4'-P energy: -1.639
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -2.994
flat angles P-C4'-P energy: -4.693
tors. eta vs tors. theta energy: 17.621
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: 9, replica: 9
=====================================
Write number: 470
Temperature: 3.966667
Total energy: -7.925622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.925622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.925622 (E_RNA)
where:
Base-Base interactions energy: -4.583
where: short stacking energy: -1.182
Base-Backbone interact. energy: -0.212
local terms energy: -3.130339
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -1.321
flat angles C4'-P-C4' energy: 0.766
flat angles P-C4'-P energy: -2.859
tors. eta vs tors. theta energy: 14.604
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: 3
=====================================
Write number: 470
Temperature: 4.350000
Total energy: -8.156746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.156746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.156746 (E_RNA)
where:
Base-Base interactions energy: -6.828
where: short stacking energy: -5.336
Base-Backbone interact. energy: -0.231
local terms energy: -1.097138
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -2.041
flat angles P-C4'-P energy: 8.273
tors. eta vs tors. theta energy: 17.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -368.764600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.764600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.764600 (E_RNA)
where:
Base-Base interactions energy: -246.472
where: short stacking energy: -111.014
Base-Backbone interact. energy: -0.140
local terms energy: -122.152633
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -26.887
flat angles C4'-P-C4' energy: -24.672
flat angles P-C4'-P energy: -15.895
tors. eta vs tors. theta energy: -32.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 471
Temperature: 1.283333
Total energy: -181.520578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.520578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.520578 (E_RNA)
where:
Base-Base interactions energy: -107.241
where: short stacking energy: -62.202
Base-Backbone interact. energy: 4.699
local terms energy: -78.978579
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -5.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 471
Temperature: 1.666667
Total energy: -88.337456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.337456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.337456 (E_RNA)
where:
Base-Base interactions energy: -32.884
where: short stacking energy: -20.392
Base-Backbone interact. energy: -0.596
local terms energy: -54.857185
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: 12.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 471
Temperature: 2.050000
Total energy: -68.704545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.704545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.704545 (E_RNA)
where:
Base-Base interactions energy: -23.660
where: short stacking energy: -23.660
Base-Backbone interact. energy: -0.881
local terms energy: -44.163494
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: 8.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 471
Temperature: 2.433333
Total energy: -40.209555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -40.209555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -40.209555 (E_RNA)
where:
Base-Base interactions energy: -16.847
where: short stacking energy: -11.276
Base-Backbone interact. energy: 0.431
local terms energy: -23.793989
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -1.596
tors. eta vs tors. theta energy: 12.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 471
Temperature: 2.816667
Total energy: -36.639066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.639066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.639066 (E_RNA)
where:
Base-Base interactions energy: -11.402
where: short stacking energy: -8.324
Base-Backbone interact. energy: 1.703
local terms energy: -26.940138
where:
bonds (distance) C4'-P energy: -4.906
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: 12.417
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: 5
=====================================
Write number: 471
Temperature: 3.200000
Total energy: -16.994929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.994929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.994929 (E_RNA)
where:
Base-Base interactions energy: -10.030
where: short stacking energy: -6.755
Base-Backbone interact. energy: 2.026
local terms energy: -8.991433
where:
bonds (distance) C4'-P energy: -5.659
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -3.458
flat angles P-C4'-P energy: 1.018
tors. eta vs tors. theta energy: 15.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 471
Temperature: 3.583333
Total energy: -14.837740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.837740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.837740 (E_RNA)
where:
Base-Base interactions energy: -6.443
where: short stacking energy: -4.286
Base-Backbone interact. energy: 0.865
local terms energy: -9.259005
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -4.768
flat angles C4'-P-C4' energy: 1.361
flat angles P-C4'-P energy: -3.442
tors. eta vs tors. theta energy: 13.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 3.966667
Total energy: -12.863188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.863188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.863188 (E_RNA)
where:
Base-Base interactions energy: -9.661
where: short stacking energy: -10.647
Base-Backbone interact. energy: -1.251
local terms energy: -1.950570
where:
bonds (distance) C4'-P energy: -6.958
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: 4.825
flat angles P-C4'-P energy: -0.228
tors. eta vs tors. theta energy: 17.870
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: 3
=====================================
Write number: 471
Temperature: 4.350000
Total energy: -2.573301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.573301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.573301 (E_RNA)
where:
Base-Base interactions energy: -2.574
where: short stacking energy: -1.717
Base-Backbone interact. energy: -1.310
local terms energy: 1.311213
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -8.960
flat angles C4'-P-C4' energy: -0.687
flat angles P-C4'-P energy: 9.848
tors. eta vs tors. theta energy: 14.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -375.877774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.877774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.877774 (E_RNA)
where:
Base-Base interactions energy: -248.506
where: short stacking energy: -120.056
Base-Backbone interact. energy: -1.030
local terms energy: -126.341845
where:
bonds (distance) C4'-P energy: -24.993
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -27.417
flat angles P-C4'-P energy: -19.348
tors. eta vs tors. theta energy: -30.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 472
Temperature: 1.283333
Total energy: -194.234529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.234529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.234529 (E_RNA)
where:
Base-Base interactions energy: -108.645
where: short stacking energy: -62.065
Base-Backbone interact. energy: -0.404
local terms energy: -85.185680
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -15.588
tors. eta vs tors. theta energy: -8.789
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: 472
Temperature: 1.666667
Total energy: -89.456434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.456434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.456434 (E_RNA)
where:
Base-Base interactions energy: -19.344
where: short stacking energy: -16.748
Base-Backbone interact. energy: -0.381
local terms energy: -69.731857
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -18.726
flat angles C4'-P-C4' energy: -21.276
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -1.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 472
Temperature: 2.050000
Total energy: -65.922436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.922436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.922436 (E_RNA)
where:
Base-Base interactions energy: -21.334
where: short stacking energy: -21.334
Base-Backbone interact. energy: 0.423
local terms energy: -45.011910
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -21.119
flat angles C4'-P-C4' energy: -10.816
flat angles P-C4'-P energy: -4.925
tors. eta vs tors. theta energy: 10.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 472
Temperature: 2.433333
Total energy: -43.963873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.963873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.963873 (E_RNA)
where:
Base-Base interactions energy: -11.429
where: short stacking energy: -10.230
Base-Backbone interact. energy: -0.323
local terms energy: -32.211560
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -3.916
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: 8.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 472
Temperature: 2.816667
Total energy: -45.635171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -45.635171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -45.635171 (E_RNA)
where:
Base-Base interactions energy: -8.093
where: short stacking energy: -8.848
Base-Backbone interact. energy: 1.726
local terms energy: -39.268733
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -6.775
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: 9.749
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: 9
=====================================
Write number: 472
Temperature: 3.200000
Total energy: -33.909512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.909512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.909512 (E_RNA)
where:
Base-Base interactions energy: -15.399
where: short stacking energy: -14.279
Base-Backbone interact. energy: -1.312
local terms energy: -17.199053
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: 3.073
flat angles P-C4'-P energy: -4.455
tors. eta vs tors. theta energy: 10.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 472
Temperature: 3.583333
Total energy: -17.268854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.268854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.268854 (E_RNA)
where:
Base-Base interactions energy: -4.839
where: short stacking energy: -2.341
Base-Backbone interact. energy: 3.860
local terms energy: -16.289156
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -8.513
flat angles C4'-P-C4' energy: -7.108
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: 14.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 472
Temperature: 3.966667
Total energy: -2.681289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.681289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.681289 (E_RNA)
where:
Base-Base interactions energy: -8.641
where: short stacking energy: -3.582
Base-Backbone interact. energy: 0.351
local terms energy: 5.608374
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -8.495
flat angles C4'-P-C4' energy: 2.963
flat angles P-C4'-P energy: 9.621
tors. eta vs tors. theta energy: 17.849
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: 10, replica: 3
=====================================
Write number: 472
Temperature: 4.350000
Total energy: -11.193412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -11.193412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -11.193412 (E_RNA)
where:
Base-Base interactions energy: 0.018
where: short stacking energy: 0.209
Base-Backbone interact. energy: 2.198
local terms energy: -13.409348
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: 2.881
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: 15.248
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: 1
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -362.703084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.703084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.703084 (E_RNA)
where:
Base-Base interactions energy: -234.291
where: short stacking energy: -113.630
Base-Backbone interact. energy: -0.100
local terms energy: -128.312051
where:
bonds (distance) C4'-P energy: -25.750
bonds (distance) P-C4' energy: -28.939
flat angles C4'-P-C4' energy: -28.553
flat angles P-C4'-P energy: -17.411
tors. eta vs tors. theta energy: -27.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 473
Temperature: 1.283333
Total energy: -189.405503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.405503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.405503 (E_RNA)
where:
Base-Base interactions energy: -112.944
where: short stacking energy: -62.908
Base-Backbone interact. energy: -0.529
local terms energy: -75.932429
where:
bonds (distance) C4'-P energy: -21.925
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -19.234
flat angles P-C4'-P energy: -4.564
tors. eta vs tors. theta energy: -10.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 473
Temperature: 1.666667
Total energy: -105.531953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.531953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.531953 (E_RNA)
where:
Base-Base interactions energy: -44.951
where: short stacking energy: -19.698
Base-Backbone interact. energy: -0.220
local terms energy: -60.361325
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -5.062
tors. eta vs tors. theta energy: 4.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 473
Temperature: 2.050000
Total energy: -61.755709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.755709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.755709 (E_RNA)
where:
Base-Base interactions energy: -19.442
where: short stacking energy: -16.095
Base-Backbone interact. energy: 2.385
local terms energy: -44.698096
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -7.837
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: 4.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 473
Temperature: 2.433333
Total energy: -54.909190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.909190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.909190 (E_RNA)
where:
Base-Base interactions energy: -11.090
where: short stacking energy: -9.689
Base-Backbone interact. energy: 4.325
local terms energy: -48.144576
where:
bonds (distance) C4'-P energy: -18.840
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: 8.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 473
Temperature: 2.816667
Total energy: -32.245217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.245217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.245217 (E_RNA)
where:
Base-Base interactions energy: -4.839
where: short stacking energy: -3.423
Base-Backbone interact. energy: 1.872
local terms energy: -29.277738
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -8.085
flat angles P-C4'-P energy: -2.526
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: 9
=====================================
Write number: 473
Temperature: 3.200000
Total energy: -26.661610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.661610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.661610 (E_RNA)
where:
Base-Base interactions energy: -3.642
where: short stacking energy: -2.818
Base-Backbone interact. energy: 1.404
local terms energy: -24.423401
where:
bonds (distance) C4'-P energy: -3.983
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -5.240
tors. eta vs tors. theta energy: 15.480
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: 4
=====================================
Write number: 473
Temperature: 3.583333
Total energy: -14.678507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -14.678507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -14.678507 (E_RNA)
where:
Base-Base interactions energy: -15.115
where: short stacking energy: -15.394
Base-Backbone interact. energy: 3.191
local terms energy: -2.753874
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: 6.532
flat angles P-C4'-P energy: 12.868
tors. eta vs tors. theta energy: 7.091
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: 473
Temperature: 3.966667
Total energy: -25.699947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -25.699947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -25.699947 (E_RNA)
where:
Base-Base interactions energy: -0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: 7.492
local terms energy: -33.192303
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -21.938
flat angles C4'-P-C4' energy: -1.340
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: 16.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 473
Temperature: 4.350000
Total energy: -2.270684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.270684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.270684 (E_RNA)
where:
Base-Base interactions energy: -5.215
where: short stacking energy: -5.215
Base-Backbone interact. energy: -0.526
local terms energy: 3.470292
where:
bonds (distance) C4'-P energy: -7.769
bonds (distance) P-C4' energy: -5.921
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: 10.010
tors. eta vs tors. theta energy: 18.648
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: 1
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -376.502859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.502859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.502859 (E_RNA)
where:
Base-Base interactions energy: -255.351
where: short stacking energy: -126.681
Base-Backbone interact. energy: -0.013
local terms energy: -121.139064
where:
bonds (distance) C4'-P energy: -23.439
bonds (distance) P-C4' energy: -26.513
flat angles C4'-P-C4' energy: -26.355
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -29.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 474
Temperature: 1.283333
Total energy: -236.215865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.215865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.215865 (E_RNA)
where:
Base-Base interactions energy: -136.442
where: short stacking energy: -73.770
Base-Backbone interact. energy: -0.346
local terms energy: -99.427861
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -25.482
flat angles C4'-P-C4' energy: -26.256
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -16.965
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: 3, replica: 6
=====================================
Write number: 474
Temperature: 1.666667
Total energy: -84.454325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.454325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.454325 (E_RNA)
where:
Base-Base interactions energy: -30.760
where: short stacking energy: -23.230
Base-Backbone interact. energy: -0.732
local terms energy: -52.962478
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: 7.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 474
Temperature: 2.050000
Total energy: -61.873172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.873172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.873172 (E_RNA)
where:
Base-Base interactions energy: -13.938
where: short stacking energy: -10.769
Base-Backbone interact. energy: -0.145
local terms energy: -47.790347
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -20.419
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: 8.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 474
Temperature: 2.433333
Total energy: -43.987359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -43.987359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -43.987359 (E_RNA)
where:
Base-Base interactions energy: -6.627
where: short stacking energy: -5.056
Base-Backbone interact. energy: 4.635
local terms energy: -41.995835
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: 15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 474
Temperature: 2.816667
Total energy: -33.050813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.050813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.050813 (E_RNA)
where:
Base-Base interactions energy: -1.952
where: short stacking energy: 0.005
Base-Backbone interact. energy: 4.938
local terms energy: -36.036760
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -3.192
tors. eta vs tors. theta energy: 17.308
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: 4
=====================================
Write number: 474
Temperature: 3.200000
Total energy: -20.086251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.086251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.086251 (E_RNA)
where:
Base-Base interactions energy: -2.276
where: short stacking energy: -1.185
Base-Backbone interact. energy: 1.144
local terms energy: -18.954514
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: 3.699
flat angles P-C4'-P energy: 0.931
tors. eta vs tors. theta energy: 12.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 474
Temperature: 3.583333
Total energy: -16.651055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.651055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.651055 (E_RNA)
where:
Base-Base interactions energy: -5.032
where: short stacking energy: -5.032
Base-Backbone interact. energy: -0.698
local terms energy: -10.920803
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -3.386
flat angles P-C4'-P energy: 5.362
tors. eta vs tors. theta energy: 15.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 474
Temperature: 3.966667
Total energy: -6.528431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.528431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.528431 (E_RNA)
where:
Base-Base interactions energy: -12.796
where: short stacking energy: -8.500
Base-Backbone interact. energy: 0.464
local terms energy: 5.804119
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -7.166
flat angles C4'-P-C4' energy: 0.736
flat angles P-C4'-P energy: 6.278
tors. eta vs tors. theta energy: 20.716
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: 3
=====================================
Write number: 474
Temperature: 4.350000
Total energy: 2.716402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 2.716402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 2.716402 (E_RNA)
where:
Base-Base interactions energy: -2.288
where: short stacking energy: -2.821
Base-Backbone interact. energy: 0.157
local terms energy: 4.847486
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: 0.813
flat angles P-C4'-P energy: 7.867
tors. eta vs tors. theta energy: 19.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -377.158093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.158093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.158093 (E_RNA)
where:
Base-Base interactions energy: -248.897
where: short stacking energy: -112.962
Base-Backbone interact. energy: -0.018
local terms energy: -128.243082
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -28.179
flat angles C4'-P-C4' energy: -27.370
flat angles P-C4'-P energy: -22.547
tors. eta vs tors. theta energy: -28.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 475
Temperature: 1.283333
Total energy: -244.777064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.777064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.777064 (E_RNA)
where:
Base-Base interactions energy: -149.694
where: short stacking energy: -84.121
Base-Backbone interact. energy: 0.419
local terms energy: -95.502034
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -16.626
tors. eta vs tors. theta energy: -27.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 475
Temperature: 1.666667
Total energy: -81.244864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.244864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.244864 (E_RNA)
where:
Base-Base interactions energy: -25.941
where: short stacking energy: -19.204
Base-Backbone interact. energy: 0.342
local terms energy: -55.646591
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: 6.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 475
Temperature: 2.050000
Total energy: -63.097466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.097466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.097466 (E_RNA)
where:
Base-Base interactions energy: -12.730
where: short stacking energy: -7.552
Base-Backbone interact. energy: -0.599
local terms energy: -49.768827
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -4.281
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: 5.206
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: 10
=====================================
Write number: 475
Temperature: 2.433333
Total energy: -52.526353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.526353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.526353 (E_RNA)
where:
Base-Base interactions energy: -20.100
where: short stacking energy: -10.156
Base-Backbone interact. energy: -0.205
local terms energy: -32.220935
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: 4.625
tors. eta vs tors. theta energy: 6.445
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: 6, replica: 4
=====================================
Write number: 475
Temperature: 2.816667
Total energy: -36.199604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.199604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.199604 (E_RNA)
where:
Base-Base interactions energy: -9.352
where: short stacking energy: -8.475
Base-Backbone interact. energy: 2.856
local terms energy: -29.703622
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -18.711
flat angles C4'-P-C4' energy: -3.651
flat angles P-C4'-P energy: -5.189
tors. eta vs tors. theta energy: 10.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 475
Temperature: 3.200000
Total energy: -33.606662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.606662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.606662 (E_RNA)
where:
Base-Base interactions energy: -12.067
where: short stacking energy: -10.067
Base-Backbone interact. energy: 1.490
local terms energy: -23.029666
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -25.526
flat angles C4'-P-C4' energy: 11.326
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: 11.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 475
Temperature: 3.583333
Total energy: -10.444693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.444693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.444693 (E_RNA)
where:
Base-Base interactions energy: -7.571
where: short stacking energy: -7.689
Base-Backbone interact. energy: -0.581
local terms energy: -2.293012
where:
bonds (distance) C4'-P energy: -9.617
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: 6.506
flat angles P-C4'-P energy: 3.337
tors. eta vs tors. theta energy: 12.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 475
Temperature: 3.966667
Total energy: -17.196197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.196197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.196197 (E_RNA)
where:
Base-Base interactions energy: -5.361
where: short stacking energy: -4.776
Base-Backbone interact. energy: 1.462
local terms energy: -13.297231
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -4.699
flat angles C4'-P-C4' energy: -7.120
flat angles P-C4'-P energy: -1.417
tors. eta vs tors. theta energy: 15.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 475
Temperature: 4.350000
Total energy: -6.822718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.822718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.822718 (E_RNA)
where:
Base-Base interactions energy: -2.415
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.714
local terms energy: -3.693095
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -7.463
flat angles C4'-P-C4' energy: -2.799
flat angles P-C4'-P energy: 3.807
tors. eta vs tors. theta energy: 20.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -344.513274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.513274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.513274 (E_RNA)
where:
Base-Base interactions energy: -216.521
where: short stacking energy: -111.469
Base-Backbone interact. energy: -1.067
local terms energy: -126.925253
where:
bonds (distance) C4'-P energy: -29.443
bonds (distance) P-C4' energy: -24.672
flat angles C4'-P-C4' energy: -25.907
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -31.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 476
Temperature: 1.283333
Total energy: -214.739230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.739230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.739230 (E_RNA)
where:
Base-Base interactions energy: -123.049
where: short stacking energy: -66.078
Base-Backbone interact. energy: -0.148
local terms energy: -91.542593
where:
bonds (distance) C4'-P energy: -22.142
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -19.005
flat angles P-C4'-P energy: -18.009
tors. eta vs tors. theta energy: -13.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.666667
Total energy: -92.357363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.357363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.357363 (E_RNA)
where:
Base-Base interactions energy: -46.372
where: short stacking energy: -38.218
Base-Backbone interact. energy: 8.776
local terms energy: -54.761153
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -8.935
flat angles C4'-P-C4' energy: -21.173
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: 3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 476
Temperature: 2.050000
Total energy: -62.530820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.530820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.530820 (E_RNA)
where:
Base-Base interactions energy: -18.878
where: short stacking energy: -16.094
Base-Backbone interact. energy: -0.213
local terms energy: -43.439454
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: 9.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 476
Temperature: 2.433333
Total energy: -44.220388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.220388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.220388 (E_RNA)
where:
Base-Base interactions energy: -14.875
where: short stacking energy: -13.616
Base-Backbone interact. energy: -1.066
local terms energy: -28.279054
where:
bonds (distance) C4'-P energy: -4.992
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: 8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 476
Temperature: 2.816667
Total energy: -34.919934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.919934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.919934 (E_RNA)
where:
Base-Base interactions energy: -4.317
where: short stacking energy: -4.392
Base-Backbone interact. energy: 0.849
local terms energy: -31.451632
where:
bonds (distance) C4'-P energy: -22.885
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -10.072
flat angles P-C4'-P energy: -2.281
tors. eta vs tors. theta energy: 16.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 476
Temperature: 3.200000
Total energy: -27.973903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.973903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.973903 (E_RNA)
where:
Base-Base interactions energy: -5.924
where: short stacking energy: -2.649
Base-Backbone interact. energy: 2.146
local terms energy: -24.195352
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -24.227
flat angles C4'-P-C4' energy: -7.060
flat angles P-C4'-P energy: 3.725
tors. eta vs tors. theta energy: 13.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 476
Temperature: 3.583333
Total energy: -16.584281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.584281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.584281 (E_RNA)
where:
Base-Base interactions energy: -9.802
where: short stacking energy: -4.696
Base-Backbone interact. energy: 2.028
local terms energy: -8.809989
where:
bonds (distance) C4'-P energy: -6.505
bonds (distance) P-C4' energy: -9.221
flat angles C4'-P-C4' energy: -4.313
flat angles P-C4'-P energy: -5.842
tors. eta vs tors. theta energy: 17.071
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: 9, replica: 3
=====================================
Write number: 476
Temperature: 3.966667
Total energy: -8.789683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -8.789683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -8.789683 (E_RNA)
where:
Base-Base interactions energy: -3.569
where: short stacking energy: -3.487
Base-Backbone interact. energy: 1.564
local terms energy: -6.785416
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -1.001
flat angles C4'-P-C4' energy: -7.761
flat angles P-C4'-P energy: -3.696
tors. eta vs tors. theta energy: 15.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 476
Temperature: 4.350000
Total energy: -7.561661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.561661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.561661 (E_RNA)
where:
Base-Base interactions energy: 0.202
where: short stacking energy: -5.608
Base-Backbone interact. energy: 3.749
local terms energy: -11.512785
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -1.104
flat angles C4'-P-C4' energy: -8.080
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: 14.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -366.744141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.744141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.744141 (E_RNA)
where:
Base-Base interactions energy: -245.592
where: short stacking energy: -113.686
Base-Backbone interact. energy: -0.116
local terms energy: -121.036532
where:
bonds (distance) C4'-P energy: -28.615
bonds (distance) P-C4' energy: -25.020
flat angles C4'-P-C4' energy: -24.752
flat angles P-C4'-P energy: -14.621
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: 2, replica: 2
=====================================
Write number: 477
Temperature: 1.283333
Total energy: -210.657630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.657630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.657630 (E_RNA)
where:
Base-Base interactions energy: -116.983
where: short stacking energy: -72.529
Base-Backbone interact. energy: 0.009
local terms energy: -93.683199
where:
bonds (distance) C4'-P energy: -26.486
bonds (distance) P-C4' energy: -23.433
flat angles C4'-P-C4' energy: -23.184
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -9.316
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: 7
=====================================
Write number: 477
Temperature: 1.666667
Total energy: -80.242117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.242117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.242117 (E_RNA)
where:
Base-Base interactions energy: -17.339
where: short stacking energy: -15.830
Base-Backbone interact. energy: -0.171
local terms energy: -62.732003
where:
bonds (distance) C4'-P energy: -25.108
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: 1.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 477
Temperature: 2.050000
Total energy: -59.316147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.316147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.316147 (E_RNA)
where:
Base-Base interactions energy: -11.998
where: short stacking energy: -11.368
Base-Backbone interact. energy: 0.366
local terms energy: -47.684460
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: 14.747
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: 6
=====================================
Write number: 477
Temperature: 2.433333
Total energy: -48.923967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -48.923967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -48.923967 (E_RNA)
where:
Base-Base interactions energy: -6.575
where: short stacking energy: -2.332
Base-Backbone interact. energy: 0.508
local terms energy: -42.856473
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -23.993
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -3.498
tors. eta vs tors. theta energy: 16.446
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: 4
=====================================
Write number: 477
Temperature: 2.816667
Total energy: -36.606031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.606031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.606031 (E_RNA)
where:
Base-Base interactions energy: -8.836
where: short stacking energy: -4.615
Base-Backbone interact. energy: -0.265
local terms energy: -27.504815
where:
bonds (distance) C4'-P energy: -9.658
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -2.923
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: 18.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 477
Temperature: 3.200000
Total energy: -23.659572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.659572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.659572 (E_RNA)
where:
Base-Base interactions energy: -2.595
where: short stacking energy: -0.781
Base-Backbone interact. energy: -0.211
local terms energy: -20.853425
where:
bonds (distance) C4'-P energy: -8.085
bonds (distance) P-C4' energy: -23.981
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: 5.806
tors. eta vs tors. theta energy: 14.944
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: 477
Temperature: 3.583333
Total energy: -21.463339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.463339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.463339 (E_RNA)
where:
Base-Base interactions energy: -13.509
where: short stacking energy: -5.735
Base-Backbone interact. energy: -0.919
local terms energy: -7.034907
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: 7.193
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: 17.602
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: 8
=====================================
Write number: 477
Temperature: 3.966667
Total energy: -13.678522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -13.678522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -13.678522 (E_RNA)
where:
Base-Base interactions energy: 0.910
where: short stacking energy: 1.800
Base-Backbone interact. energy: 5.596
local terms energy: -20.184969
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -9.207
flat angles C4'-P-C4' energy: 0.456
flat angles P-C4'-P energy: -5.308
tors. eta vs tors. theta energy: 12.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 477
Temperature: 4.350000
Total energy: -5.631636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -5.631636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -5.631636 (E_RNA)
where:
Base-Base interactions energy: -3.753
where: short stacking energy: -3.653
Base-Backbone interact. energy: 3.760
local terms energy: -5.638224
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: 2.282
flat angles P-C4'-P energy: 10.736
tors. eta vs tors. theta energy: 10.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -365.018924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.018924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.018924 (E_RNA)
where:
Base-Base interactions energy: -236.098
where: short stacking energy: -115.428
Base-Backbone interact. energy: -0.152
local terms energy: -128.768866
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -27.948
flat angles P-C4'-P energy: -16.358
tors. eta vs tors. theta energy: -33.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 478
Temperature: 1.283333
Total energy: -197.001984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.001984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.001984 (E_RNA)
where:
Base-Base interactions energy: -113.742
where: short stacking energy: -59.203
Base-Backbone interact. energy: -1.287
local terms energy: -81.973056
where:
bonds (distance) C4'-P energy: -24.715
bonds (distance) P-C4' energy: -23.677
flat angles C4'-P-C4' energy: -23.409
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -2.985
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: 3, replica: 7
=====================================
Write number: 478
Temperature: 1.666667
Total energy: -87.742527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.742527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.742527 (E_RNA)
where:
Base-Base interactions energy: -34.692
where: short stacking energy: -27.528
Base-Backbone interact. energy: -0.478
local terms energy: -52.573208
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -21.779
flat angles C4'-P-C4' energy: -6.712
flat angles P-C4'-P energy: -5.630
tors. eta vs tors. theta energy: 0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 478
Temperature: 2.050000
Total energy: -59.196686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.196686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.196686 (E_RNA)
where:
Base-Base interactions energy: -13.155
where: short stacking energy: -12.537
Base-Backbone interact. energy: 2.890
local terms energy: -48.931700
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -19.973
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -1.489
tors. eta vs tors. theta energy: 6.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 478
Temperature: 2.433333
Total energy: -47.680544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.680544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.680544 (E_RNA)
where:
Base-Base interactions energy: -10.127
where: short stacking energy: -8.180
Base-Backbone interact. energy: -0.269
local terms energy: -37.284596
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: 5.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 478
Temperature: 2.816667
Total energy: -34.706594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.706594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.706594 (E_RNA)
where:
Base-Base interactions energy: -15.052
where: short stacking energy: -9.284
Base-Backbone interact. energy: 1.350
local terms energy: -21.005087
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -5.271
flat angles P-C4'-P energy: 6.383
tors. eta vs tors. theta energy: 11.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 478
Temperature: 3.200000
Total energy: -23.380229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.380229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.380229 (E_RNA)
where:
Base-Base interactions energy: -1.294
where: short stacking energy: 0.740
Base-Backbone interact. energy: 4.560
local terms energy: -26.646003
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: 16.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 478
Temperature: 3.583333
Total energy: -22.783335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -22.783335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -22.783335 (E_RNA)
where:
Base-Base interactions energy: -11.845
where: short stacking energy: -7.999
Base-Backbone interact. energy: 0.972
local terms energy: -11.910915
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -7.545
flat angles C4'-P-C4' energy: -3.968
flat angles P-C4'-P energy: -1.574
tors. eta vs tors. theta energy: 14.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 478
Temperature: 3.966667
Total energy: -9.181299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -9.181299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -9.181299 (E_RNA)
where:
Base-Base interactions energy: -4.924
where: short stacking energy: -6.192
Base-Backbone interact. energy: 3.691
local terms energy: -7.948441
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -2.750
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: 19.988
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: 8
=====================================
Write number: 478
Temperature: 4.350000
Total energy: -10.181930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.181930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.181930 (E_RNA)
where:
Base-Base interactions energy: -1.042
where: short stacking energy: -4.369
Base-Backbone interact. energy: 6.824
local terms energy: -15.964210
where:
bonds (distance) C4'-P energy: -7.316
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: 7.450
flat angles P-C4'-P energy: -4.120
tors. eta vs tors. theta energy: 12.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -366.991495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.991495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.991495 (E_RNA)
where:
Base-Base interactions energy: -243.586
where: short stacking energy: -113.654
Base-Backbone interact. energy: -0.510
local terms energy: -122.895602
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -25.083
flat angles C4'-P-C4' energy: -24.192
flat angles P-C4'-P energy: -22.653
tors. eta vs tors. theta energy: -29.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 479
Temperature: 1.283333
Total energy: -210.852593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.852593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.852593 (E_RNA)
where:
Base-Base interactions energy: -116.762
where: short stacking energy: -64.550
Base-Backbone interact. energy: -1.149
local terms energy: -92.941440
where:
bonds (distance) C4'-P energy: -22.097
bonds (distance) P-C4' energy: -22.880
flat angles C4'-P-C4' energy: -21.409
flat angles P-C4'-P energy: -15.792
tors. eta vs tors. theta energy: -10.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 479
Temperature: 1.666667
Total energy: -84.280003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.280003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.280003 (E_RNA)
where:
Base-Base interactions energy: -26.560
where: short stacking energy: -19.565
Base-Backbone interact. energy: 2.517
local terms energy: -60.236981
where:
bonds (distance) C4'-P energy: -24.303
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -10.477
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: 3.851
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: 6
=====================================
Write number: 479
Temperature: 2.050000
Total energy: -58.867221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.867221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.867221 (E_RNA)
where:
Base-Base interactions energy: -17.022
where: short stacking energy: -10.763
Base-Backbone interact. energy: -0.467
local terms energy: -41.377697
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -25.049
flat angles C4'-P-C4' energy: -8.984
flat angles P-C4'-P energy: -2.276
tors. eta vs tors. theta energy: 10.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 479
Temperature: 2.433333
Total energy: -54.492261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.492261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.492261 (E_RNA)
where:
Base-Base interactions energy: -18.156
where: short stacking energy: -16.134
Base-Backbone interact. energy: -0.967
local terms energy: -35.369782
where:
bonds (distance) C4'-P energy: -6.466
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -4.503
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: 4.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 479
Temperature: 2.816667
Total energy: -33.728774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -33.728774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -33.728774 (E_RNA)
where:
Base-Base interactions energy: -6.801
where: short stacking energy: -3.968
Base-Backbone interact. energy: -0.252
local terms energy: -26.675704
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: 0.588
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: 15.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 479
Temperature: 3.200000
Total energy: -26.987686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -26.987686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -26.987686 (E_RNA)
where:
Base-Base interactions energy: -8.917
where: short stacking energy: -8.641
Base-Backbone interact. energy: -0.041
local terms energy: -18.030193
where:
bonds (distance) C4'-P energy: -8.369
bonds (distance) P-C4' energy: -10.263
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: 1.718
tors. eta vs tors. theta energy: 14.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 479
Temperature: 3.583333
Total energy: -20.073094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.073094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.073094 (E_RNA)
where:
Base-Base interactions energy: -1.716
where: short stacking energy: -0.933
Base-Backbone interact. energy: 0.540
local terms energy: -18.896490
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -10.014
flat angles P-C4'-P energy: 0.014
tors. eta vs tors. theta energy: 17.013
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: 9, replica: 5
=====================================
Write number: 479
Temperature: 3.966667
Total energy: -7.031350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.031350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.031350 (E_RNA)
where:
Base-Base interactions energy: -4.802
where: short stacking energy: -3.026
Base-Backbone interact. energy: 9.571
local terms energy: -11.799966
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: 5.570
flat angles P-C4'-P energy: 4.812
tors. eta vs tors. theta energy: 14.646
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: 8
=====================================
Write number: 479
Temperature: 4.350000
Total energy: -6.527696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -6.527696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -6.527696 (E_RNA)
where:
Base-Base interactions energy: 0.714
where: short stacking energy: -0.255
Base-Backbone interact. energy: -0.427
local terms energy: -6.814588
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -8.211
flat angles C4'-P-C4' energy: -3.043
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: 21.249
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: 1
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -364.993578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.993578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.993578 (E_RNA)
where:
Base-Base interactions energy: -244.567
where: short stacking energy: -111.465
Base-Backbone interact. energy: -0.545
local terms energy: -119.881283
where:
bonds (distance) C4'-P energy: -24.093
bonds (distance) P-C4' energy: -27.499
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -29.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 480
Temperature: 1.283333
Total energy: -200.905507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.905507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.905507 (E_RNA)
where:
Base-Base interactions energy: -114.094
where: short stacking energy: -67.446
Base-Backbone interact. energy: -0.247
local terms energy: -86.563818
where:
bonds (distance) C4'-P energy: -24.971
bonds (distance) P-C4' energy: -24.671
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -15.486
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: 6
=====================================
Write number: 480
Temperature: 1.666667
Total energy: -87.463934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.463934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.463934 (E_RNA)
where:
Base-Base interactions energy: -21.062
where: short stacking energy: -17.451
Base-Backbone interact. energy: 0.288
local terms energy: -66.689210
where:
bonds (distance) C4'-P energy: -19.586
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: 6.535
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: 480
Temperature: 2.050000
Total energy: -67.715286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.715286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.715286 (E_RNA)
where:
Base-Base interactions energy: -23.825
where: short stacking energy: -23.825
Base-Backbone interact. energy: -0.406
local terms energy: -43.484516
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -9.194
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: 3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 480
Temperature: 2.433333
Total energy: -53.545130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.545130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.545130 (E_RNA)
where:
Base-Base interactions energy: -3.039
where: short stacking energy: -3.239
Base-Backbone interact. energy: 0.278
local terms energy: -50.783862
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -5.427
flat angles P-C4'-P energy: -15.074
tors. eta vs tors. theta energy: 11.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 480
Temperature: 2.816667
Total energy: -32.862959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -32.862959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -32.862959 (E_RNA)
where:
Base-Base interactions energy: -16.443
where: short stacking energy: -12.363
Base-Backbone interact. energy: 0.294
local terms energy: -16.713884
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -4.520
flat angles P-C4'-P energy: 5.012
tors. eta vs tors. theta energy: 10.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 480
Temperature: 3.200000
Total energy: -27.423249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -27.423249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -27.423249 (E_RNA)
where:
Base-Base interactions energy: -3.805
where: short stacking energy: -3.101
Base-Backbone interact. energy: -0.640
local terms energy: -22.978066
where:
bonds (distance) C4'-P energy: -6.995
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -6.210
flat angles P-C4'-P energy: -4.105
tors. eta vs tors. theta energy: 13.240
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: 4
=====================================
Write number: 480
Temperature: 3.583333
Total energy: -12.622944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -12.622944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -12.622944 (E_RNA)
where:
Base-Base interactions energy: -0.211
where: short stacking energy: 0.390
Base-Backbone interact. energy: 0.310
local terms energy: -12.721731
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -6.675
flat angles C4'-P-C4' energy: -5.438
flat angles P-C4'-P energy: 0.891
tors. eta vs tors. theta energy: 11.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 480
Temperature: 3.966667
Total energy: -17.911570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -17.911570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -17.911570 (E_RNA)
where:
Base-Base interactions energy: -2.602
where: short stacking energy: -3.573
Base-Backbone interact. energy: 0.989
local terms energy: -16.298691
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: 4.528
flat angles P-C4'-P energy: -1.335
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: 10, replica: 5
=====================================
Write number: 480
Temperature: 4.350000
Total energy: 2.324281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 2.324281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: 2.324281 (E_RNA)
where:
Base-Base interactions energy: -2.677
where: short stacking energy: 1.847
Base-Backbone interact. energy: 0.310
local terms energy: 4.691168
where:
bonds (distance) C4'-P energy: -6.495
bonds (distance) P-C4' energy: -7.923
flat angles C4'-P-C4' energy: -0.029
flat angles P-C4'-P energy: 8.474
tors. eta vs tors. theta energy: 10.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -371.925318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.925318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.925318 (E_RNA)
where:
Base-Base interactions energy: -237.889
where: short stacking energy: -113.805
Base-Backbone interact. energy: -0.288
local terms energy: -133.748575
where:
bonds (distance) C4'-P energy: -23.501
bonds (distance) P-C4' energy: -30.144
flat angles C4'-P-C4' energy: -29.300
flat angles P-C4'-P energy: -19.269
tors. eta vs tors. theta energy: -31.535
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: 2, replica: 2
=====================================
Write number: 481
Temperature: 1.283333
Total energy: -207.947024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.947024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.947024 (E_RNA)
where:
Base-Base interactions energy: -119.118
where: short stacking energy: -67.408
Base-Backbone interact. energy: -0.052
local terms energy: -88.777007
where:
bonds (distance) C4'-P energy: -19.010
bonds (distance) P-C4' energy: -22.897
flat angles C4'-P-C4' energy: -23.622
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -12.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 481
Temperature: 1.666667
Total energy: -86.213540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.213540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.213540 (E_RNA)
where:
Base-Base interactions energy: -39.055
where: short stacking energy: -26.987
Base-Backbone interact. energy: -0.371
local terms energy: -46.787047
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -9.757
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: 4, replica: 7
=====================================
Write number: 481
Temperature: 2.050000
Total energy: -51.860822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.860822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.860822 (E_RNA)
where:
Base-Base interactions energy: -14.986
where: short stacking energy: -13.974
Base-Backbone interact. energy: 0.414
local terms energy: -37.288974
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -5.078
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: 9.992
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: 5, replica: 3
=====================================
Write number: 481
Temperature: 2.433333
Total energy: -49.008732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.008732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.008732 (E_RNA)
where:
Base-Base interactions energy: -8.181
where: short stacking energy: -5.936
Base-Backbone interact. energy: 1.590
local terms energy: -42.418097
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -26.251
flat angles C4'-P-C4' energy: -7.818
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: 17.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 481
Temperature: 2.816667
Total energy: -35.576600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -35.576600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -35.576600 (E_RNA)
where:
Base-Base interactions energy: -15.930
where: short stacking energy: -14.007
Base-Backbone interact. energy: -0.681
local terms energy: -18.965482
where:
bonds (distance) C4'-P energy: -6.896
bonds (distance) P-C4' energy: -7.474
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: 17.754
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: 10
=====================================
Write number: 481
Temperature: 3.200000
Total energy: -19.600607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -19.600607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -19.600607 (E_RNA)
where:
Base-Base interactions energy: -5.570
where: short stacking energy: 0.797
Base-Backbone interact. energy: 6.486
local terms energy: -20.516561
where:
bonds (distance) C4'-P energy: -8.156
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -3.087
tors. eta vs tors. theta energy: 15.558
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: 8
=====================================
Write number: 481
Temperature: 3.583333
Total energy: -20.690428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -20.690428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -20.690428 (E_RNA)
where:
Base-Base interactions energy: -2.700
where: short stacking energy: -2.700
Base-Backbone interact. energy: -0.393
local terms energy: -17.597109
where:
bonds (distance) C4'-P energy: -25.270
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -6.283
flat angles P-C4'-P energy: 3.906
tors. eta vs tors. theta energy: 22.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 481
Temperature: 3.966667
Total energy: -16.095673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -16.095673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -16.095673 (E_RNA)
where:
Base-Base interactions energy: -4.469
where: short stacking energy: -1.552
Base-Backbone interact. energy: 2.567
local terms energy: -14.194642
where:
bonds (distance) C4'-P energy: -3.899
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -3.861
flat angles P-C4'-P energy: -4.165
tors. eta vs tors. theta energy: 14.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 481
Temperature: 4.350000
Total energy: -7.506452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.506452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.506452 (E_RNA)
where:
Base-Base interactions energy: -5.470
where: short stacking energy: -4.941
Base-Backbone interact. energy: -0.584
local terms energy: -1.452212
where:
bonds (distance) C4'-P energy: -8.818
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: 2.325
flat angles P-C4'-P energy: 4.351
tors. eta vs tors. theta energy: 12.569
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: 482
Temperature: 0.900000
Total energy: -365.498663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.498663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.498663 (E_RNA)
where:
Base-Base interactions energy: -241.771
where: short stacking energy: -114.487
Base-Backbone interact. energy: -1.216
local terms energy: -122.511930
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -26.096
flat angles C4'-P-C4' energy: -25.637
flat angles P-C4'-P energy: -16.953
tors. eta vs tors. theta energy: -32.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 482
Temperature: 1.283333
Total energy: -204.529291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.529291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.529291 (E_RNA)
where:
Base-Base interactions energy: -115.306
where: short stacking energy: -67.365
Base-Backbone interact. energy: -0.907
local terms energy: -88.315818
where:
bonds (distance) C4'-P energy: -25.459
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -23.036
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -8.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 482
Temperature: 1.666667
Total energy: -84.393101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.393101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.393101 (E_RNA)
where:
Base-Base interactions energy: -27.684
where: short stacking energy: -24.203
Base-Backbone interact. energy: -0.256
local terms energy: -56.453034
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -21.512
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: 8.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 482
Temperature: 2.050000
Total energy: -65.148470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.148470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.148470 (E_RNA)
where:
Base-Base interactions energy: -20.000
where: short stacking energy: -17.897
Base-Backbone interact. energy: -0.538
local terms energy: -44.610382
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: 10.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 482
Temperature: 2.433333
Total energy: -49.904227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -49.904227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -49.904227 (E_RNA)
where:
Base-Base interactions energy: -19.297
where: short stacking energy: -14.204
Base-Backbone interact. energy: 8.142
local terms energy: -38.748489
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: 10.744
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: 9
=====================================
Write number: 482
Temperature: 2.816667
Total energy: -31.728006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -31.728006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -31.728006 (E_RNA)
where:
Base-Base interactions energy: -17.227
where: short stacking energy: -13.977
Base-Backbone interact. energy: 2.339
local terms energy: -16.840616
where:
bonds (distance) C4'-P energy: -7.479
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: 2.678
tors. eta vs tors. theta energy: 14.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 482
Temperature: 3.200000
Total energy: -28.781620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -28.781620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -28.781620 (E_RNA)
where:
Base-Base interactions energy: -8.582
where: short stacking energy: -8.399
Base-Backbone interact. energy: -0.238
local terms energy: -19.962161
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: 1.879
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: 16.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 482
Temperature: 3.583333
Total energy: -18.060544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -18.060544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -18.060544 (E_RNA)
where:
Base-Base interactions energy: -12.911
where: short stacking energy: -12.837
Base-Backbone interact. energy: -0.346
local terms energy: -4.803728
where:
bonds (distance) C4'-P energy: -8.279
bonds (distance) P-C4' energy: -7.788
flat angles C4'-P-C4' energy: -4.042
flat angles P-C4'-P energy: 6.946
tors. eta vs tors. theta energy: 8.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 482
Temperature: 3.966667
Total energy: -23.629403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.629403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.629403 (E_RNA)
where:
Base-Base interactions energy: -10.442
where: short stacking energy: -8.671
Base-Backbone interact. energy: 2.854
local terms energy: -16.041365
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -2.235
flat angles C4'-P-C4' energy: -5.685
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: 9.993
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: 10, replica: 4
=====================================
Write number: 482
Temperature: 4.350000
Total energy: -2.510870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.510870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.510870 (E_RNA)
where:
Base-Base interactions energy: -11.254
where: short stacking energy: -10.196
Base-Backbone interact. energy: 1.176
local terms energy: 7.567942
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -2.172
flat angles C4'-P-C4' energy: -3.256
flat angles P-C4'-P energy: 14.300
tors. eta vs tors. theta energy: 12.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -350.717143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.717143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.717143 (E_RNA)
where:
Base-Base interactions energy: -233.153
where: short stacking energy: -104.419
Base-Backbone interact. energy: -0.140
local terms energy: -117.423986
where:
bonds (distance) C4'-P energy: -20.152
bonds (distance) P-C4' energy: -26.331
flat angles C4'-P-C4' energy: -25.665
flat angles P-C4'-P energy: -17.827
tors. eta vs tors. theta energy: -27.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 483
Temperature: 1.283333
Total energy: -207.539334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.539334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.539334 (E_RNA)
where:
Base-Base interactions energy: -116.470
where: short stacking energy: -66.222
Base-Backbone interact. energy: -0.771
local terms energy: -90.298211
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -23.313
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -13.230
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: 6
=====================================
Write number: 483
Temperature: 1.666667
Total energy: -78.424639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.424639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.424639 (E_RNA)
where:
Base-Base interactions energy: -29.550
where: short stacking energy: -25.537
Base-Backbone interact. energy: -0.153
local terms energy: -48.721394
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -22.074
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -5.067
tors. eta vs tors. theta energy: 2.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 483
Temperature: 2.050000
Total energy: -69.111270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.111270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.111270 (E_RNA)
where:
Base-Base interactions energy: -16.119
where: short stacking energy: -15.594
Base-Backbone interact. energy: 0.224
local terms energy: -53.216382
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: 4.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 483
Temperature: 2.433333
Total energy: -46.364453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -46.364453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -46.364453 (E_RNA)
where:
Base-Base interactions energy: -17.209
where: short stacking energy: -14.648
Base-Backbone interact. energy: 1.450
local terms energy: -30.606105
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -8.136
flat angles P-C4'-P energy: -2.783
tors. eta vs tors. theta energy: 6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 483
Temperature: 2.816667
Total energy: -36.200461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -36.200461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -36.200461 (E_RNA)
where:
Base-Base interactions energy: -4.156
where: short stacking energy: -5.344
Base-Backbone interact. energy: 0.524
local terms energy: -32.569278
where:
bonds (distance) C4'-P energy: -10.420
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -4.230
tors. eta vs tors. theta energy: 16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 483
Temperature: 3.200000
Total energy: -24.266942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -24.266942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -24.266942 (E_RNA)
where:
Base-Base interactions energy: -13.442
where: short stacking energy: -11.359
Base-Backbone interact. energy: -1.133
local terms energy: -9.692204
where:
bonds (distance) C4'-P energy: -3.791
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -6.742
flat angles P-C4'-P energy: 5.015
tors. eta vs tors. theta energy: 11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 483
Temperature: 3.583333
Total energy: -10.105938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -10.105938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -10.105938 (E_RNA)
where:
Base-Base interactions energy: -5.073
where: short stacking energy: -2.556
Base-Backbone interact. energy: 3.702
local terms energy: -8.734536
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: 6.425
flat angles P-C4'-P energy: 5.824
tors. eta vs tors. theta energy: 13.236
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: 10
=====================================
Write number: 483
Temperature: 3.966667
Total energy: -7.193652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.193652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.193652 (E_RNA)
where:
Base-Base interactions energy: -13.116
where: short stacking energy: -9.974
Base-Backbone interact. energy: 7.134
local terms energy: -1.211389
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -8.402
flat angles C4'-P-C4' energy: 3.026
flat angles P-C4'-P energy: 9.468
tors. eta vs tors. theta energy: 5.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 483
Temperature: 4.350000
Total energy: -0.512532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -0.512532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -0.512532 (E_RNA)
where:
Base-Base interactions energy: -6.070
where: short stacking energy: -5.809
Base-Backbone interact. energy: 0.897
local terms energy: 4.660583
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: 0.082
flat angles C4'-P-C4' energy: -2.755
flat angles P-C4'-P energy: 4.598
tors. eta vs tors. theta energy: 16.012
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: 1
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -370.791890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.791890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.791890 (E_RNA)
where:
Base-Base interactions energy: -242.518
where: short stacking energy: -107.099
Base-Backbone interact. energy: -0.008
local terms energy: -128.266500
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -26.477
flat angles C4'-P-C4' energy: -24.959
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: -33.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 484
Temperature: 1.283333
Total energy: -205.289624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.289624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.289624 (E_RNA)
where:
Base-Base interactions energy: -126.737
where: short stacking energy: -53.790
Base-Backbone interact. energy: -0.992
local terms energy: -77.560596
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 484
Temperature: 1.666667
Total energy: -98.076495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.076495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.076495 (E_RNA)
where:
Base-Base interactions energy: -29.897
where: short stacking energy: -19.109
Base-Backbone interact. energy: -0.454
local terms energy: -67.724982
where:
bonds (distance) C4'-P energy: -22.189
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: 7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 484
Temperature: 2.050000
Total energy: -59.611521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.611521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.611521 (E_RNA)
where:
Base-Base interactions energy: -15.547
where: short stacking energy: -11.623
Base-Backbone interact. energy: -0.467
local terms energy: -43.597978
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -7.953
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: 4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 484
Temperature: 2.433333
Total energy: -44.113262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -44.113262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -44.113262 (E_RNA)
where:
Base-Base interactions energy: -15.633
where: short stacking energy: -9.256
Base-Backbone interact. energy: 3.985
local terms energy: -32.465589
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -16.950
flat angles C4'-P-C4' energy: -6.715
flat angles P-C4'-P energy: -1.066
tors. eta vs tors. theta energy: 15.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 484
Temperature: 2.816667
Total energy: -34.684484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -34.684484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -34.684484 (E_RNA)
where:
Base-Base interactions energy: -7.372
where: short stacking energy: -9.102
Base-Backbone interact. energy: 0.679
local terms energy: -27.991054
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -8.772
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: 1.032
tors. eta vs tors. theta energy: 8.073
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: 5
=====================================
Write number: 484
Temperature: 3.200000
Total energy: -23.042674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -23.042674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -23.042674 (E_RNA)
where:
Base-Base interactions energy: -7.977
where: short stacking energy: -7.977
Base-Backbone interact. energy: 1.660
local terms energy: -16.725613
where:
bonds (distance) C4'-P energy: -9.579
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -7.801
flat angles P-C4'-P energy: 0.588
tors. eta vs tors. theta energy: 11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 484
Temperature: 3.583333
Total energy: -21.139947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -21.139947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -21.139947 (E_RNA)
where:
Base-Base interactions energy: -7.720
where: short stacking energy: 0.261
Base-Backbone interact. energy: -0.093
local terms energy: -13.327729
where:
bonds (distance) C4'-P energy: -8.884
bonds (distance) P-C4' energy: -12.241
flat angles C4'-P-C4' energy: -3.361
flat angles P-C4'-P energy: -3.180
tors. eta vs tors. theta energy: 14.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 484
Temperature: 3.966667
Total energy: -7.055179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -7.055179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -7.055179 (E_RNA)
where:
Base-Base interactions energy: -2.535
where: short stacking energy: -2.535
Base-Backbone interact. energy: -0.154
local terms energy: -4.366445
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -3.454
flat angles C4'-P-C4' energy: -4.308
flat angles P-C4'-P energy: -2.157
tors. eta vs tors. theta energy: 16.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 484
Temperature: 4.350000
Total energy: -2.781412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2.781412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2.781412 (E_RNA)
where:
Base-Base interactions energy: -12.117
where: short stacking energy: -9.075
Base-Backbone interact. energy: 5.112
local terms energy: 4.223545
where:
bonds (distance) C4'-P energy: 1.716
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: 2.396
flat angles P-C4'-P energy: -0.013
tors. eta vs tors. theta energy: 10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/e2-b0826708_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE